USER MOD reduce.3.24.130724 H: found=0, std=0, add=353, rem=0, adj=9 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 -113:sc= 0.988 USER MOD Set 1.2: C 489 THR OG1 : rot -53:sc= 1.22 USER MOD Set 2.1: C 462 HIS :FLIP no HD1:sc= 0 F(o=-0.72,f=-0.013) USER MOD Set 2.2: C 463 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.28) USER MOD Single : C 456 GLN : amide:sc= -0.069 K(o=-0.069,f=-0.8) USER MOD Single : C 458 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.1) USER MOD Single : C 460 MET CE :methyl 159:sc= -3.11! (180deg=-4.48!) USER MOD Single : C 465 GLN : amide:sc= 0.168 K(o=0.17,f=-0.85) USER MOD Single : C 467 MET CE :methyl -177:sc= -0.63 (180deg=-0.748) USER MOD Single : C 470 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : C 473 TYR OH : rot 69:sc= 0.683 USER MOD Single : C 474 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : C 478 GLN :FLIP amide:sc= -0.0212 F(o=-1.2!,f=-0.021) USER MOD Single : C 481 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : C 485 SER OG : rot 160:sc= -0.23 USER MOD Single : C 490 THR OG1 : rot 90:sc= 1.22 USER MOD Single : C 492 ASN : amide:sc= -2.64! C(o=-2.6!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.556 -1.297 9.126 1.00 0.00 N ATOM 40 CA GLN C 456 -11.518 -1.924 10.013 1.00 0.00 C ATOM 41 C GLN C 456 -12.085 -3.174 9.366 1.00 0.00 C ATOM 42 O GLN C 456 -12.278 -4.193 10.026 1.00 0.00 O ATOM 43 CB GLN C 456 -12.651 -0.953 10.355 1.00 0.00 C ATOM 44 CG GLN C 456 -12.184 0.312 11.056 1.00 0.00 C ATOM 45 CD GLN C 456 -11.536 0.028 12.396 1.00 0.00 C ATOM 46 OE1 GLN C 456 -11.880 -0.940 13.072 1.00 0.00 O ATOM 47 NE2 GLN C 456 -10.603 0.866 12.788 1.00 0.00 N ATOM 0 HA GLN C 456 -11.007 -2.199 10.936 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -13.171 -0.678 9.437 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -13.375 -1.463 10.990 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -11.474 0.837 10.417 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -13.035 0.978 11.201 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -10.347 1.657 12.197 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -10.135 0.726 13.683 1.00 0.00 H new ATOM 56 N LEU C 457 -12.328 -3.092 8.059 1.00 0.00 N ATOM 57 CA LEU C 457 -12.865 -4.213 7.292 1.00 0.00 C ATOM 58 C LEU C 457 -11.982 -5.442 7.430 1.00 0.00 C ATOM 59 O LEU C 457 -12.478 -6.548 7.653 1.00 0.00 O ATOM 60 CB LEU C 457 -13.006 -3.837 5.818 1.00 0.00 C ATOM 61 CG LEU C 457 -14.013 -2.730 5.507 1.00 0.00 C ATOM 62 CD1 LEU C 457 -13.988 -2.404 4.039 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.405 -3.156 5.906 1.00 0.00 C ATOM 0 H LEU C 457 -12.159 -2.252 7.505 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.851 -4.449 7.693 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.029 -3.528 5.446 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.292 -4.729 5.261 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.736 -1.844 6.078 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -14.709 -1.614 3.829 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -12.990 -2.068 3.758 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -14.247 -3.293 3.464 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -16.110 -2.356 5.678 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -15.683 -4.053 5.354 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.429 -3.366 6.975 1.00 0.00 H new ATOM 75 N ASN C 458 -10.674 -5.236 7.309 1.00 0.00 N ATOM 76 CA ASN C 458 -9.700 -6.322 7.430 1.00 0.00 C ATOM 77 C ASN C 458 -9.867 -7.059 8.743 1.00 0.00 C ATOM 78 O ASN C 458 -9.943 -8.283 8.768 1.00 0.00 O ATOM 79 CB ASN C 458 -8.267 -5.790 7.314 1.00 0.00 C ATOM 80 CG ASN C 458 -7.910 -5.374 5.906 1.00 0.00 C ATOM 81 OD1 ASN C 458 -8.401 -5.948 4.936 1.00 0.00 O ATOM 82 ND2 ASN C 458 -7.055 -4.376 5.782 1.00 0.00 N ATOM 0 H ASN C 458 -10.260 -4.322 7.126 1.00 0.00 H new ATOM 0 HA ASN C 458 -9.884 -7.018 6.612 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.146 -4.937 7.982 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -7.571 -6.559 7.649 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -6.778 -4.054 4.855 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -6.671 -3.927 6.614 1.00 0.00 H new ATOM 89 N ALA C 459 -9.948 -6.304 9.825 1.00 0.00 N ATOM 90 CA ALA C 459 -10.103 -6.877 11.153 1.00 0.00 C ATOM 91 C ALA C 459 -11.452 -7.568 11.297 1.00 0.00 C ATOM 92 O ALA C 459 -11.529 -8.686 11.799 1.00 0.00 O ATOM 93 CB ALA C 459 -9.941 -5.802 12.212 1.00 0.00 C ATOM 0 H ALA C 459 -9.909 -5.285 9.810 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.325 -7.627 11.293 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -10.059 -6.245 13.201 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.949 -5.357 12.130 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.698 -5.031 12.067 1.00 0.00 H new ATOM 99 N MET C 460 -12.511 -6.909 10.837 1.00 0.00 N ATOM 100 CA MET C 460 -13.849 -7.465 10.936 1.00 0.00 C ATOM 101 C MET C 460 -13.940 -8.808 10.220 1.00 0.00 C ATOM 102 O MET C 460 -14.460 -9.782 10.770 1.00 0.00 O ATOM 103 CB MET C 460 -14.891 -6.488 10.392 1.00 0.00 C ATOM 104 CG MET C 460 -14.930 -5.159 11.138 1.00 0.00 C ATOM 105 SD MET C 460 -16.530 -4.334 11.027 1.00 0.00 S ATOM 106 CE MET C 460 -16.616 -4.012 9.278 1.00 0.00 C ATOM 0 H MET C 460 -12.465 -5.992 10.394 1.00 0.00 H new ATOM 0 HA MET C 460 -14.062 -7.632 11.992 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.684 -6.298 9.339 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.875 -6.953 10.444 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.688 -5.330 12.187 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.160 -4.501 10.737 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.655 -3.858 8.987 1.00 0.00 H new ATOM 0 HE2 MET C 460 -16.037 -3.119 9.044 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.208 -4.862 8.731 1.00 0.00 H new ATOM 116 N ALA C 461 -13.416 -8.864 9.003 1.00 0.00 N ATOM 117 CA ALA C 461 -13.406 -10.100 8.242 1.00 0.00 C ATOM 118 C ALA C 461 -12.479 -11.116 8.894 1.00 0.00 C ATOM 119 O ALA C 461 -12.730 -12.316 8.854 1.00 0.00 O ATOM 120 CB ALA C 461 -12.978 -9.842 6.809 1.00 0.00 C ATOM 0 H ALA C 461 -12.994 -8.068 8.525 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.418 -10.505 8.232 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -12.977 -10.781 6.255 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.674 -9.145 6.341 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -11.975 -9.414 6.800 1.00 0.00 H new ATOM 126 N HIS C 462 -11.412 -10.618 9.508 1.00 0.00 N ATOM 127 CA HIS C 462 -10.441 -11.465 10.188 1.00 0.00 C ATOM 128 C HIS C 462 -11.111 -12.247 11.316 1.00 0.00 C ATOM 129 O HIS C 462 -10.939 -13.454 11.415 1.00 0.00 O ATOM 130 CB HIS C 462 -9.270 -10.620 10.725 1.00 0.00 C ATOM 131 CG HIS C 462 -8.168 -11.417 11.365 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.956 -11.745 12.655 1.00 0.00 N flip ATOM 133 CD2 HIS C 462 -7.124 -11.968 10.658 1.00 0.00 C flip ATOM 134 CE1 HIS C 462 -6.803 -12.487 12.705 1.00 0.00 C flip ATOM 135 NE2 HIS C 462 -6.321 -12.606 11.486 1.00 0.00 N flip ATOM 0 H HIS C 462 -11.197 -9.622 9.548 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.041 -12.181 9.469 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -8.851 -10.039 9.903 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.657 -9.908 11.454 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -6.984 -11.890 9.590 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.363 -12.905 13.598 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -5.471 -13.107 11.226 1.00 0.00 H new ATOM 144 N GLN C 463 -11.881 -11.550 12.152 1.00 0.00 N ATOM 145 CA GLN C 463 -12.594 -12.192 13.264 1.00 0.00 C ATOM 146 C GLN C 463 -13.553 -13.260 12.759 1.00 0.00 C ATOM 147 O GLN C 463 -13.593 -14.367 13.297 1.00 0.00 O ATOM 148 CB GLN C 463 -13.352 -11.158 14.107 1.00 0.00 C ATOM 149 CG GLN C 463 -12.556 -10.586 15.277 1.00 0.00 C ATOM 150 CD GLN C 463 -11.270 -9.907 14.855 1.00 0.00 C ATOM 151 OE1 GLN C 463 -11.251 -8.718 14.565 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.181 -10.653 14.842 1.00 0.00 N ATOM 0 H GLN C 463 -12.029 -10.543 12.083 1.00 0.00 H new ATOM 0 HA GLN C 463 -11.846 -12.671 13.896 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -13.662 -10.338 13.460 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.261 -11.620 14.494 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -13.177 -9.869 15.814 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.322 -11.390 15.975 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.237 -11.641 15.090 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.284 -10.242 14.584 1.00 0.00 H new ATOM 161 N ILE C 464 -14.316 -12.936 11.720 1.00 0.00 N ATOM 162 CA ILE C 464 -15.242 -13.901 11.147 1.00 0.00 C ATOM 163 C ILE C 464 -14.485 -15.093 10.589 1.00 0.00 C ATOM 164 O ILE C 464 -14.881 -16.224 10.794 1.00 0.00 O ATOM 165 CB ILE C 464 -16.114 -13.297 10.027 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.910 -12.103 10.544 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.062 -14.358 9.466 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.691 -11.402 9.459 1.00 0.00 C ATOM 0 H ILE C 464 -14.311 -12.024 11.264 1.00 0.00 H new ATOM 0 HA ILE C 464 -15.901 -14.213 11.957 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.456 -12.952 9.230 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.598 -12.440 11.320 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.227 -11.392 11.010 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.672 -13.920 8.676 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.482 -15.186 9.059 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.709 -14.726 10.263 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.236 -10.562 9.888 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -17.005 -11.037 8.695 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.396 -12.101 9.009 1.00 0.00 H new ATOM 180 N GLN C 465 -13.375 -14.826 9.905 1.00 0.00 N ATOM 181 CA GLN C 465 -12.557 -15.886 9.314 1.00 0.00 C ATOM 182 C GLN C 465 -12.032 -16.833 10.394 1.00 0.00 C ATOM 183 O GLN C 465 -11.801 -18.016 10.145 1.00 0.00 O ATOM 184 CB GLN C 465 -11.377 -15.287 8.550 1.00 0.00 C ATOM 185 CG GLN C 465 -10.694 -16.281 7.629 1.00 0.00 C ATOM 186 CD GLN C 465 -11.563 -16.635 6.444 1.00 0.00 C ATOM 187 OE1 GLN C 465 -12.332 -15.810 5.964 1.00 0.00 O ATOM 188 NE2 GLN C 465 -11.460 -17.861 5.974 1.00 0.00 N ATOM 0 H GLN C 465 -13.020 -13.883 9.745 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.186 -16.448 8.624 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.726 -14.438 7.962 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.648 -14.903 9.263 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -9.751 -15.862 7.277 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.452 -17.186 8.186 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -10.808 -18.518 6.402 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -12.033 -18.153 5.182 1.00 0.00 H new ATOM 197 N GLU C 466 -11.840 -16.299 11.587 1.00 0.00 N ATOM 198 CA GLU C 466 -11.355 -17.073 12.710 1.00 0.00 C ATOM 199 C GLU C 466 -12.433 -18.028 13.219 1.00 0.00 C ATOM 200 O GLU C 466 -12.132 -19.066 13.808 1.00 0.00 O ATOM 201 CB GLU C 466 -10.897 -16.134 13.824 1.00 0.00 C ATOM 202 CG GLU C 466 -9.719 -15.256 13.436 1.00 0.00 C ATOM 203 CD GLU C 466 -8.495 -16.052 13.039 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.414 -16.503 11.878 1.00 0.00 O ATOM 205 OE2 GLU C 466 -7.602 -16.229 13.890 1.00 0.00 O ATOM 0 H GLU C 466 -12.016 -15.318 11.802 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.507 -17.673 12.382 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -11.732 -15.498 14.117 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -10.625 -16.726 14.698 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.011 -14.611 12.607 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.467 -14.605 14.273 1.00 0.00 H new ATOM 212 N MET C 467 -13.685 -17.674 12.978 1.00 0.00 N ATOM 213 CA MET C 467 -14.812 -18.490 13.397 1.00 0.00 C ATOM 214 C MET C 467 -15.328 -19.340 12.233 1.00 0.00 C ATOM 215 O MET C 467 -15.720 -20.493 12.415 1.00 0.00 O ATOM 216 CB MET C 467 -15.937 -17.597 13.922 1.00 0.00 C ATOM 217 CG MET C 467 -15.545 -16.733 15.109 1.00 0.00 C ATOM 218 SD MET C 467 -16.923 -15.752 15.745 1.00 0.00 S ATOM 219 CE MET C 467 -17.285 -14.705 14.334 1.00 0.00 C ATOM 0 H MET C 467 -13.947 -16.818 12.489 1.00 0.00 H new ATOM 0 HA MET C 467 -14.477 -19.156 14.192 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.279 -16.951 13.114 1.00 0.00 H new ATOM 0 HB3 MET C 467 -16.781 -18.225 14.207 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.160 -17.370 15.905 1.00 0.00 H new ATOM 0 HG3 MET C 467 -14.735 -16.066 14.815 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.080 -14.006 14.594 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.390 -14.149 14.055 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.605 -15.323 13.495 1.00 0.00 H new ATOM 229 N PHE C 468 -15.327 -18.754 11.044 1.00 0.00 N ATOM 230 CA PHE C 468 -15.802 -19.410 9.833 1.00 0.00 C ATOM 231 C PHE C 468 -14.699 -19.444 8.766 1.00 0.00 C ATOM 232 O PHE C 468 -14.666 -18.599 7.879 1.00 0.00 O ATOM 233 CB PHE C 468 -17.037 -18.670 9.266 1.00 0.00 C ATOM 234 CG PHE C 468 -18.297 -18.814 10.086 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.357 -18.345 11.384 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.422 -19.414 9.546 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.506 -18.478 12.134 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.577 -19.550 10.289 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.619 -19.084 11.586 1.00 0.00 C ATOM 0 H PHE C 468 -14.994 -17.802 10.891 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.080 -20.432 10.093 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.798 -17.610 9.177 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.232 -19.038 8.259 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.491 -17.867 11.818 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.395 -19.780 8.530 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -19.536 -18.109 13.149 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.447 -20.021 9.855 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.520 -19.193 12.172 1.00 0.00 H new ATOM 249 N PRO C 469 -13.771 -20.410 8.850 1.00 0.00 N ATOM 250 CA PRO C 469 -12.683 -20.550 7.871 1.00 0.00 C ATOM 251 C PRO C 469 -13.174 -21.125 6.538 1.00 0.00 C ATOM 252 O PRO C 469 -12.430 -21.182 5.552 1.00 0.00 O ATOM 253 CB PRO C 469 -11.732 -21.529 8.552 1.00 0.00 C ATOM 254 CG PRO C 469 -12.615 -22.352 9.413 1.00 0.00 C ATOM 255 CD PRO C 469 -13.678 -21.420 9.916 1.00 0.00 C ATOM 0 HA PRO C 469 -12.229 -19.592 7.619 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.202 -22.142 7.823 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.976 -21.007 9.139 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -13.052 -23.177 8.850 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -12.057 -22.791 10.240 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.627 -21.935 10.067 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.403 -20.973 10.871 1.00 0.00 H new ATOM 263 N GLN C 470 -14.429 -21.549 6.529 1.00 0.00 N ATOM 264 CA GLN C 470 -15.060 -22.143 5.354 1.00 0.00 C ATOM 265 C GLN C 470 -15.299 -21.115 4.245 1.00 0.00 C ATOM 266 O GLN C 470 -15.413 -21.475 3.078 1.00 0.00 O ATOM 267 CB GLN C 470 -16.391 -22.783 5.752 1.00 0.00 C ATOM 268 CG GLN C 470 -17.352 -21.811 6.422 1.00 0.00 C ATOM 269 CD GLN C 470 -18.660 -22.451 6.835 1.00 0.00 C ATOM 270 OE1 GLN C 470 -18.718 -23.642 7.144 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.717 -21.664 6.848 1.00 0.00 N ATOM 0 H GLN C 470 -15.044 -21.491 7.341 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.379 -22.899 4.964 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.866 -23.198 4.863 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.198 -23.616 6.428 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -16.871 -21.384 7.302 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.558 -20.987 5.740 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.626 -20.683 6.585 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.627 -22.036 7.121 1.00 0.00 H new ATOM 280 N VAL C 471 -15.367 -19.851 4.607 1.00 0.00 N ATOM 281 CA VAL C 471 -15.660 -18.806 3.642 1.00 0.00 C ATOM 282 C VAL C 471 -14.395 -18.018 3.265 1.00 0.00 C ATOM 283 O VAL C 471 -13.596 -17.672 4.128 1.00 0.00 O ATOM 284 CB VAL C 471 -16.768 -17.848 4.178 1.00 0.00 C ATOM 285 CG1 VAL C 471 -16.382 -17.255 5.523 1.00 0.00 C ATOM 286 CG2 VAL C 471 -17.085 -16.748 3.174 1.00 0.00 C ATOM 0 H VAL C 471 -15.224 -19.520 5.561 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.032 -19.288 2.738 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.670 -18.443 4.319 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -17.175 -16.592 5.869 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -16.238 -18.057 6.247 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -15.456 -16.690 5.419 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.861 -16.098 3.579 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.186 -16.163 2.980 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -17.435 -17.195 2.243 1.00 0.00 H new ATOM 296 N PRO C 472 -14.173 -17.786 1.947 1.00 0.00 N ATOM 297 CA PRO C 472 -13.031 -16.998 1.453 1.00 0.00 C ATOM 298 C PRO C 472 -12.985 -15.591 2.052 1.00 0.00 C ATOM 299 O PRO C 472 -13.981 -14.865 2.044 1.00 0.00 O ATOM 300 CB PRO C 472 -13.282 -16.922 -0.053 1.00 0.00 C ATOM 301 CG PRO C 472 -14.079 -18.137 -0.347 1.00 0.00 C ATOM 302 CD PRO C 472 -14.984 -18.317 0.836 1.00 0.00 C ATOM 0 HA PRO C 472 -12.078 -17.453 1.724 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.824 -16.015 -0.322 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.347 -16.913 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -14.653 -18.017 -1.266 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -13.435 -19.005 -0.484 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -15.918 -17.768 0.718 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -15.246 -19.364 0.990 1.00 0.00 H new ATOM 310 N TYR C 473 -11.806 -15.220 2.530 1.00 0.00 N ATOM 311 CA TYR C 473 -11.558 -13.939 3.206 1.00 0.00 C ATOM 312 C TYR C 473 -12.104 -12.743 2.407 1.00 0.00 C ATOM 313 O TYR C 473 -12.796 -11.884 2.956 1.00 0.00 O ATOM 314 CB TYR C 473 -10.051 -13.779 3.425 1.00 0.00 C ATOM 315 CG TYR C 473 -9.661 -12.825 4.532 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.468 -11.472 4.288 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.460 -13.291 5.820 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.086 -10.613 5.302 1.00 0.00 C ATOM 319 CE2 TYR C 473 -9.085 -12.443 6.837 1.00 0.00 C ATOM 320 CZ TYR C 473 -8.898 -11.106 6.576 1.00 0.00 C ATOM 321 OH TYR C 473 -8.508 -10.263 7.592 1.00 0.00 O ATOM 0 H TYR C 473 -10.974 -15.807 2.461 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.084 -13.951 4.161 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.625 -14.758 3.644 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.599 -13.436 2.495 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -9.618 -11.085 3.291 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.600 -14.341 6.031 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -8.936 -9.563 5.098 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.938 -12.826 7.836 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.241 -9.649 7.807 1.00 0.00 H new ATOM 331 N HIS C 474 -11.803 -12.698 1.111 1.00 0.00 N ATOM 332 CA HIS C 474 -12.250 -11.581 0.264 1.00 0.00 C ATOM 333 C HIS C 474 -13.767 -11.552 0.099 1.00 0.00 C ATOM 334 O HIS C 474 -14.350 -10.493 -0.123 1.00 0.00 O ATOM 335 CB HIS C 474 -11.556 -11.584 -1.113 1.00 0.00 C ATOM 336 CG HIS C 474 -11.788 -12.816 -1.958 1.00 0.00 C ATOM 337 ND1 HIS C 474 -10.870 -13.833 -2.072 1.00 0.00 N ATOM 338 CD2 HIS C 474 -12.836 -13.177 -2.740 1.00 0.00 C ATOM 339 CE1 HIS C 474 -11.335 -14.761 -2.880 1.00 0.00 C ATOM 340 NE2 HIS C 474 -12.527 -14.389 -3.300 1.00 0.00 N ATOM 0 H HIS C 474 -11.259 -13.410 0.624 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.955 -10.671 0.786 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -11.895 -10.712 -1.673 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -10.483 -11.467 -0.960 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -13.745 -12.614 -2.893 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -10.826 -15.673 -3.153 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -13.123 -14.917 -3.938 1.00 0.00 H new ATOM 349 N LEU C 475 -14.406 -12.703 0.216 1.00 0.00 N ATOM 350 CA LEU C 475 -15.848 -12.762 0.096 1.00 0.00 C ATOM 351 C LEU C 475 -16.491 -12.253 1.365 1.00 0.00 C ATOM 352 O LEU C 475 -17.614 -11.751 1.348 1.00 0.00 O ATOM 353 CB LEU C 475 -16.322 -14.175 -0.218 1.00 0.00 C ATOM 354 CG LEU C 475 -16.018 -14.683 -1.628 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.661 -16.031 -1.852 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.495 -13.689 -2.676 1.00 0.00 C ATOM 0 H LEU C 475 -13.953 -13.600 0.392 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.148 -12.124 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -15.867 -14.858 0.499 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.400 -14.219 -0.061 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.938 -14.790 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.435 -16.379 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.272 -16.745 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.741 -15.944 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -16.268 -14.072 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.571 -13.546 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.988 -12.735 -2.530 1.00 0.00 H new ATOM 368 N VAL C 476 -15.760 -12.370 2.460 1.00 0.00 N ATOM 369 CA VAL C 476 -16.219 -11.851 3.733 1.00 0.00 C ATOM 370 C VAL C 476 -16.110 -10.336 3.691 1.00 0.00 C ATOM 371 O VAL C 476 -17.071 -9.624 3.955 1.00 0.00 O ATOM 372 CB VAL C 476 -15.376 -12.400 4.911 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.971 -11.982 6.242 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.260 -13.911 4.835 1.00 0.00 C ATOM 0 H VAL C 476 -14.845 -12.821 2.491 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.250 -12.166 3.894 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.376 -11.974 4.833 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.362 -12.379 7.054 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.994 -10.894 6.305 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.985 -12.372 6.325 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.664 -14.273 5.673 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.255 -14.355 4.879 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.778 -14.192 3.899 1.00 0.00 H new ATOM 384 N LEU C 477 -14.922 -9.865 3.302 1.00 0.00 N ATOM 385 CA LEU C 477 -14.640 -8.437 3.128 1.00 0.00 C ATOM 386 C LEU C 477 -15.699 -7.782 2.248 1.00 0.00 C ATOM 387 O LEU C 477 -16.077 -6.630 2.460 1.00 0.00 O ATOM 388 CB LEU C 477 -13.266 -8.273 2.472 1.00 0.00 C ATOM 389 CG LEU C 477 -12.051 -8.531 3.362 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.780 -8.560 2.532 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.948 -7.466 4.438 1.00 0.00 C ATOM 0 H LEU C 477 -14.124 -10.467 3.098 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.651 -7.955 4.105 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -13.213 -8.948 1.618 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -13.193 -7.258 2.081 1.00 0.00 H new ATOM 0 HG LEU C 477 -12.176 -9.502 3.841 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.925 -8.745 3.182 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.849 -9.354 1.789 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.652 -7.602 2.028 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -11.078 -7.664 5.064 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.844 -6.486 3.972 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.848 -7.482 5.053 1.00 0.00 H new ATOM 403 N GLN C 478 -16.170 -8.538 1.266 1.00 0.00 N ATOM 404 CA GLN C 478 -17.188 -8.087 0.348 1.00 0.00 C ATOM 405 C GLN C 478 -18.444 -7.633 1.097 1.00 0.00 C ATOM 406 O GLN C 478 -18.868 -6.491 0.965 1.00 0.00 O ATOM 407 CB GLN C 478 -17.532 -9.217 -0.620 1.00 0.00 C ATOM 408 CG GLN C 478 -18.564 -8.848 -1.665 1.00 0.00 C ATOM 409 CD GLN C 478 -18.956 -10.025 -2.544 1.00 0.00 C ATOM 410 OE1 GLN C 478 -18.944 -11.224 -1.981 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -19.285 -9.853 -3.717 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.848 -9.490 1.089 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.803 -7.232 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.620 -9.539 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.899 -10.070 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -19.453 -8.458 -1.170 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -18.171 -8.047 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -19.282 -8.914 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -19.561 -10.649 -4.291 1.00 0.00 H new ATOM 420 N ASP C 479 -19.005 -8.521 1.913 1.00 0.00 N ATOM 421 CA ASP C 479 -20.247 -8.220 2.638 1.00 0.00 C ATOM 422 C ASP C 479 -20.025 -7.173 3.715 1.00 0.00 C ATOM 423 O ASP C 479 -20.932 -6.428 4.056 1.00 0.00 O ATOM 424 CB ASP C 479 -20.838 -9.475 3.261 1.00 0.00 C ATOM 425 CG ASP C 479 -22.244 -9.239 3.804 1.00 0.00 C ATOM 426 OD1 ASP C 479 -23.205 -9.341 3.019 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.387 -8.945 5.020 1.00 0.00 O ATOM 0 H ASP C 479 -18.626 -9.451 2.092 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.951 -7.822 1.907 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.866 -10.270 2.516 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -20.191 -9.818 4.068 1.00 0.00 H new ATOM 432 N LEU C 480 -18.818 -7.110 4.254 1.00 0.00 N ATOM 433 CA LEU C 480 -18.500 -6.105 5.253 1.00 0.00 C ATOM 434 C LEU C 480 -18.576 -4.708 4.658 1.00 0.00 C ATOM 435 O LEU C 480 -18.773 -3.736 5.369 1.00 0.00 O ATOM 436 CB LEU C 480 -17.131 -6.347 5.897 1.00 0.00 C ATOM 437 CG LEU C 480 -17.126 -7.239 7.143 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.200 -6.804 8.126 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.327 -8.667 6.766 1.00 0.00 C ATOM 0 H LEU C 480 -18.049 -7.737 4.019 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.248 -6.188 6.042 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.474 -6.794 5.151 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.700 -5.382 6.163 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.154 -7.136 7.625 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.176 -7.453 9.002 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.017 -5.774 8.432 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.178 -6.873 7.650 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.320 -9.285 7.664 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.284 -8.778 6.257 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.523 -8.984 6.101 1.00 0.00 H new ATOM 451 N GLN C 481 -18.421 -4.618 3.356 1.00 0.00 N ATOM 452 CA GLN C 481 -18.562 -3.355 2.666 1.00 0.00 C ATOM 453 C GLN C 481 -20.031 -3.093 2.380 1.00 0.00 C ATOM 454 O GLN C 481 -20.437 -1.963 2.124 1.00 0.00 O ATOM 455 CB GLN C 481 -17.749 -3.353 1.383 1.00 0.00 C ATOM 456 CG GLN C 481 -16.260 -3.419 1.633 1.00 0.00 C ATOM 457 CD GLN C 481 -15.443 -3.413 0.366 1.00 0.00 C ATOM 458 OE1 GLN C 481 -15.849 -2.856 -0.653 1.00 0.00 O ATOM 459 NE2 GLN C 481 -14.279 -4.026 0.422 1.00 0.00 N ATOM 0 H GLN C 481 -18.196 -5.408 2.751 1.00 0.00 H new ATOM 0 HA GLN C 481 -18.180 -2.556 3.301 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -18.047 -4.202 0.768 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.978 -2.451 0.815 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.964 -2.572 2.252 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -16.033 -4.322 2.199 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -13.980 -4.475 1.288 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -13.676 -4.051 -0.400 1.00 0.00 H new ATOM 468 N LEU C 482 -20.812 -4.153 2.417 1.00 0.00 N ATOM 469 CA LEU C 482 -22.237 -4.080 2.202 1.00 0.00 C ATOM 470 C LEU C 482 -22.979 -3.753 3.502 1.00 0.00 C ATOM 471 O LEU C 482 -23.724 -2.774 3.567 1.00 0.00 O ATOM 472 CB LEU C 482 -22.743 -5.412 1.638 1.00 0.00 C ATOM 473 CG LEU C 482 -22.666 -5.604 0.113 1.00 0.00 C ATOM 474 CD1 LEU C 482 -23.694 -4.744 -0.583 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.279 -5.295 -0.426 1.00 0.00 C ATOM 0 H LEU C 482 -20.470 -5.096 2.599 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.433 -3.279 1.489 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.176 -6.215 2.109 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.783 -5.535 1.942 1.00 0.00 H new ATOM 0 HG LEU C 482 -22.879 -6.653 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -23.624 -4.893 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -24.691 -5.021 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.509 -3.695 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -21.267 -5.443 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -21.022 -4.260 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.551 -5.960 0.039 1.00 0.00 H new ATOM 487 N THR C 483 -22.756 -4.557 4.539 1.00 0.00 N ATOM 488 CA THR C 483 -23.476 -4.395 5.793 1.00 0.00 C ATOM 489 C THR C 483 -22.642 -3.705 6.866 1.00 0.00 C ATOM 490 O THR C 483 -23.187 -3.038 7.748 1.00 0.00 O ATOM 491 CB THR C 483 -23.946 -5.755 6.333 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.818 -6.630 6.488 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.955 -6.384 5.392 1.00 0.00 C ATOM 0 H THR C 483 -22.084 -5.324 4.533 1.00 0.00 H new ATOM 0 HA THR C 483 -24.334 -3.762 5.567 1.00 0.00 H new ATOM 0 HB THR C 483 -24.423 -5.599 7.301 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.886 -7.368 5.847 1.00 0.00 H new ATOM 0 HG21 THR C 483 -25.275 -7.346 5.792 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.819 -5.727 5.292 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.497 -6.532 4.414 1.00 0.00 H new ATOM 501 N ARG C 484 -21.314 -3.861 6.784 1.00 0.00 N ATOM 502 CA ARG C 484 -20.388 -3.300 7.773 1.00 0.00 C ATOM 503 C ARG C 484 -20.637 -3.892 9.163 1.00 0.00 C ATOM 504 O ARG C 484 -20.236 -3.317 10.175 1.00 0.00 O ATOM 505 CB ARG C 484 -20.466 -1.766 7.824 1.00 0.00 C ATOM 506 CG ARG C 484 -20.076 -1.060 6.532 1.00 0.00 C ATOM 507 CD ARG C 484 -21.252 -0.929 5.576 1.00 0.00 C ATOM 508 NE ARG C 484 -20.869 -0.275 4.327 1.00 0.00 N ATOM 509 CZ ARG C 484 -21.556 0.708 3.736 1.00 0.00 C ATOM 510 NH1 ARG C 484 -22.655 1.196 4.305 1.00 0.00 N ATOM 511 NH2 ARG C 484 -21.137 1.209 2.578 1.00 0.00 N ATOM 0 H ARG C 484 -20.855 -4.377 6.034 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.382 -3.573 7.455 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.484 -1.477 8.086 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.818 -1.410 8.625 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.686 -0.069 6.764 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -19.273 -1.613 6.045 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -21.655 -1.918 5.359 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -22.048 -0.359 6.055 1.00 0.00 H new ATOM 0 HE ARG C 484 -20.013 -0.592 3.872 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -22.978 0.820 5.197 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -23.175 1.946 3.850 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -20.291 0.843 2.140 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -21.661 1.959 2.127 1.00 0.00 H new ATOM 525 N SER C 485 -21.273 -5.050 9.203 1.00 0.00 N ATOM 526 CA SER C 485 -21.579 -5.703 10.455 1.00 0.00 C ATOM 527 C SER C 485 -21.230 -7.169 10.383 1.00 0.00 C ATOM 528 O SER C 485 -21.908 -7.930 9.699 1.00 0.00 O ATOM 529 CB SER C 485 -23.065 -5.554 10.787 1.00 0.00 C ATOM 530 OG SER C 485 -23.379 -6.165 12.032 1.00 0.00 O ATOM 0 H SER C 485 -21.587 -5.556 8.375 1.00 0.00 H new ATOM 0 HA SER C 485 -20.986 -5.229 11.237 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.328 -4.497 10.821 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.664 -6.006 9.996 1.00 0.00 H new ATOM 0 HG SER C 485 -24.220 -5.797 12.374 1.00 0.00 H new ATOM 536 N VAL C 486 -20.173 -7.568 11.085 1.00 0.00 N ATOM 537 CA VAL C 486 -19.761 -8.967 11.110 1.00 0.00 C ATOM 538 C VAL C 486 -20.890 -9.863 11.611 1.00 0.00 C ATOM 539 O VAL C 486 -20.996 -11.028 11.222 1.00 0.00 O ATOM 540 CB VAL C 486 -18.501 -9.187 11.982 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.388 -8.275 11.544 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.791 -9.002 13.461 1.00 0.00 C ATOM 0 H VAL C 486 -19.589 -6.945 11.642 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.516 -9.237 10.083 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.186 -10.221 11.840 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.511 -8.445 12.169 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.137 -8.481 10.503 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.708 -7.238 11.642 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -17.878 -9.166 14.034 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.153 -7.989 13.637 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.550 -9.718 13.775 1.00 0.00 H new ATOM 552 N GLU C 487 -21.738 -9.300 12.460 1.00 0.00 N ATOM 553 CA GLU C 487 -22.872 -10.008 13.005 1.00 0.00 C ATOM 554 C GLU C 487 -23.835 -10.366 11.885 1.00 0.00 C ATOM 555 O GLU C 487 -24.312 -11.499 11.796 1.00 0.00 O ATOM 556 CB GLU C 487 -23.566 -9.132 14.043 1.00 0.00 C ATOM 557 CG GLU C 487 -22.637 -8.661 15.151 1.00 0.00 C ATOM 558 CD GLU C 487 -23.238 -7.563 15.993 1.00 0.00 C ATOM 559 OE1 GLU C 487 -23.980 -7.874 16.946 1.00 0.00 O ATOM 560 OE2 GLU C 487 -22.959 -6.380 15.715 1.00 0.00 O ATOM 0 H GLU C 487 -21.653 -8.337 12.787 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.536 -10.927 13.486 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -23.996 -8.263 13.545 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.393 -9.689 14.484 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -22.385 -9.506 15.791 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -21.705 -8.306 14.711 1.00 0.00 H new ATOM 567 N ILE C 488 -24.106 -9.401 11.022 1.00 0.00 N ATOM 568 CA ILE C 488 -24.987 -9.628 9.896 1.00 0.00 C ATOM 569 C ILE C 488 -24.293 -10.492 8.861 1.00 0.00 C ATOM 570 O ILE C 488 -24.840 -11.470 8.430 1.00 0.00 O ATOM 571 CB ILE C 488 -25.439 -8.311 9.238 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.073 -7.382 10.281 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.428 -8.599 8.116 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.565 -6.066 9.715 1.00 0.00 C ATOM 0 H ILE C 488 -23.728 -8.456 11.082 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.873 -10.135 10.277 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.566 -7.813 8.817 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.909 -7.899 10.752 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.342 -7.179 11.064 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.741 -7.661 7.657 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.952 -9.229 7.365 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.299 -9.113 8.522 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -27.000 -5.466 10.514 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.729 -5.526 9.269 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.321 -6.257 8.953 1.00 0.00 H new ATOM 586 N THR C 489 -23.079 -10.101 8.484 1.00 0.00 N ATOM 587 CA THR C 489 -22.252 -10.833 7.528 1.00 0.00 C ATOM 588 C THR C 489 -22.236 -12.346 7.801 1.00 0.00 C ATOM 589 O THR C 489 -22.386 -13.139 6.884 1.00 0.00 O ATOM 590 CB THR C 489 -20.815 -10.290 7.549 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.836 -8.892 7.245 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.933 -11.010 6.541 1.00 0.00 C ATOM 0 H THR C 489 -22.635 -9.254 8.839 1.00 0.00 H new ATOM 0 HA THR C 489 -22.694 -10.682 6.543 1.00 0.00 H new ATOM 0 HB THR C 489 -20.401 -10.458 8.543 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.319 -8.747 6.405 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.924 -10.601 6.583 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.903 -12.074 6.778 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.339 -10.873 5.539 1.00 0.00 H new ATOM 600 N THR C 490 -22.074 -12.738 9.058 1.00 0.00 N ATOM 601 CA THR C 490 -22.053 -14.149 9.409 1.00 0.00 C ATOM 602 C THR C 490 -23.403 -14.805 9.091 1.00 0.00 C ATOM 603 O THR C 490 -23.457 -15.874 8.475 1.00 0.00 O ATOM 604 CB THR C 490 -21.708 -14.345 10.892 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.478 -13.666 11.191 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.549 -15.818 11.198 1.00 0.00 C ATOM 0 H THR C 490 -21.956 -12.102 9.846 1.00 0.00 H new ATOM 0 HA THR C 490 -21.279 -14.629 8.811 1.00 0.00 H new ATOM 0 HB THR C 490 -22.515 -13.936 11.500 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.672 -12.748 11.474 1.00 0.00 H new ATOM 0 HG21 THR C 490 -21.304 -15.946 12.252 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.481 -16.338 10.976 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.747 -16.232 10.587 1.00 0.00 H new ATOM 614 N ASP C 491 -24.488 -14.143 9.485 1.00 0.00 N ATOM 615 CA ASP C 491 -25.840 -14.634 9.180 1.00 0.00 C ATOM 616 C ASP C 491 -26.062 -14.565 7.683 1.00 0.00 C ATOM 617 O ASP C 491 -26.699 -15.429 7.084 1.00 0.00 O ATOM 618 CB ASP C 491 -26.895 -13.793 9.905 1.00 0.00 C ATOM 619 CG ASP C 491 -28.317 -14.235 9.591 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.767 -15.253 10.154 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.996 -13.553 8.786 1.00 0.00 O ATOM 0 H ASP C 491 -24.464 -13.271 10.013 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.933 -15.665 9.521 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.728 -13.857 10.980 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.774 -12.746 9.625 1.00 0.00 H new ATOM 626 N ASN C 492 -25.502 -13.529 7.093 1.00 0.00 N ATOM 627 CA ASN C 492 -25.542 -13.303 5.673 1.00 0.00 C ATOM 628 C ASN C 492 -24.955 -14.500 4.931 1.00 0.00 C ATOM 629 O ASN C 492 -25.549 -15.005 3.979 1.00 0.00 O ATOM 630 CB ASN C 492 -24.780 -12.007 5.325 1.00 0.00 C ATOM 631 CG ASN C 492 -25.703 -10.845 5.055 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.864 -11.029 4.693 1.00 0.00 O ATOM 633 ND2 ASN C 492 -25.189 -9.644 5.186 1.00 0.00 N ATOM 0 H ASN C 492 -24.996 -12.807 7.605 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.579 -13.187 5.358 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -24.111 -11.751 6.147 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -24.156 -12.181 4.449 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.757 -8.821 4.985 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.221 -9.534 5.489 1.00 0.00 H new ATOM 640 N ILE C 493 -23.790 -14.965 5.387 1.00 0.00 N ATOM 641 CA ILE C 493 -23.142 -16.147 4.813 1.00 0.00 C ATOM 642 C ILE C 493 -24.091 -17.340 4.890 1.00 0.00 C ATOM 643 O ILE C 493 -24.291 -18.070 3.914 1.00 0.00 O ATOM 644 CB ILE C 493 -21.848 -16.519 5.591 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.875 -15.351 5.638 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.175 -17.730 4.960 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.744 -15.552 6.627 1.00 0.00 C ATOM 0 H ILE C 493 -23.273 -14.539 6.156 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.888 -15.912 3.779 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.137 -16.764 6.613 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.456 -15.196 4.644 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.420 -14.444 5.899 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.271 -17.976 5.518 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.858 -18.579 4.983 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.913 -17.503 3.926 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -19.087 -14.682 6.610 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.155 -15.677 7.629 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.176 -16.441 6.354 1.00 0.00 H new ATOM 659 N LEU C 494 -24.681 -17.508 6.063 1.00 0.00 N ATOM 660 CA LEU C 494 -25.597 -18.606 6.345 1.00 0.00 C ATOM 661 C LEU C 494 -26.834 -18.566 5.437 1.00 0.00 C ATOM 662 O LEU C 494 -27.325 -19.609 4.998 1.00 0.00 O ATOM 663 CB LEU C 494 -25.994 -18.558 7.823 1.00 0.00 C ATOM 664 CG LEU C 494 -24.835 -18.748 8.812 1.00 0.00 C ATOM 665 CD1 LEU C 494 -25.262 -18.417 10.231 1.00 0.00 C ATOM 666 CD2 LEU C 494 -24.296 -20.169 8.737 1.00 0.00 C ATOM 0 H LEU C 494 -24.537 -16.881 6.855 1.00 0.00 H new ATOM 0 HA LEU C 494 -25.090 -19.548 6.136 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.471 -17.599 8.025 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.741 -19.330 8.009 1.00 0.00 H new ATOM 0 HG LEU C 494 -24.040 -18.058 8.531 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -24.420 -18.561 10.907 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -25.592 -17.379 10.279 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -26.081 -19.072 10.527 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.475 -20.285 9.445 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -25.091 -20.873 8.984 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.936 -20.369 7.728 1.00 0.00 H new ATOM 678 N GLU C 495 -27.321 -17.369 5.148 1.00 0.00 N ATOM 679 CA GLU C 495 -28.486 -17.204 4.278 1.00 0.00 C ATOM 680 C GLU C 495 -28.116 -17.362 2.804 1.00 0.00 C ATOM 681 O GLU C 495 -28.987 -17.529 1.946 1.00 0.00 O ATOM 682 CB GLU C 495 -29.143 -15.850 4.515 1.00 0.00 C ATOM 683 CG GLU C 495 -29.767 -15.721 5.885 1.00 0.00 C ATOM 684 CD GLU C 495 -30.814 -16.779 6.141 1.00 0.00 C ATOM 685 OE1 GLU C 495 -31.925 -16.675 5.581 1.00 0.00 O ATOM 686 OE2 GLU C 495 -30.537 -17.727 6.902 1.00 0.00 O ATOM 0 H GLU C 495 -26.931 -16.495 5.501 1.00 0.00 H new ATOM 0 HA GLU C 495 -29.197 -17.991 4.529 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.398 -15.065 4.387 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.910 -15.688 3.757 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -28.988 -15.793 6.644 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -30.219 -14.734 5.984 1.00 0.00 H new ATOM 693 N GLY C 496 -26.828 -17.318 2.517 1.00 0.00 N ATOM 694 CA GLY C 496 -26.370 -17.479 1.154 1.00 0.00 C ATOM 695 C GLY C 496 -26.065 -16.165 0.472 1.00 0.00 C ATOM 696 O GLY C 496 -25.968 -16.105 -0.755 1.00 0.00 O ATOM 0 H GLY C 496 -26.088 -17.173 3.204 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.475 -18.101 1.149 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.130 -18.011 0.582 1.00 0.00 H new ATOM 700 N ARG C 497 -25.914 -15.111 1.267 1.00 0.00 N ATOM 701 CA ARG C 497 -25.551 -13.796 0.747 1.00 0.00 C ATOM 702 C ARG C 497 -24.164 -13.875 0.126 1.00 0.00 C ATOM 703 O ARG C 497 -23.886 -13.261 -0.905 1.00 0.00 O ATOM 704 CB ARG C 497 -25.560 -12.770 1.884 1.00 0.00 C ATOM 705 CG ARG C 497 -25.178 -11.361 1.470 1.00 0.00 C ATOM 706 CD ARG C 497 -26.257 -10.717 0.628 1.00 0.00 C ATOM 707 NE ARG C 497 -27.519 -10.573 1.362 1.00 0.00 N ATOM 708 CZ ARG C 497 -28.680 -10.242 0.794 1.00 0.00 C ATOM 709 NH1 ARG C 497 -28.735 -9.983 -0.509 1.00 0.00 N ATOM 710 NH2 ARG C 497 -29.782 -10.161 1.529 1.00 0.00 N ATOM 0 H ARG C 497 -26.038 -15.142 2.279 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.271 -13.486 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.556 -12.747 2.326 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -24.874 -13.104 2.662 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -24.999 -10.756 2.359 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.244 -11.387 0.909 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -25.918 -9.736 0.294 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -26.425 -11.317 -0.266 1.00 0.00 H new ATOM 0 HE ARG C 497 -27.508 -10.736 2.369 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -27.889 -10.037 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -29.623 -9.730 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -29.742 -10.352 2.530 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -30.669 -9.908 1.093 1.00 0.00 H new ATOM 724 N ILE C 498 -23.306 -14.644 0.770 1.00 0.00 N ATOM 725 CA ILE C 498 -21.971 -14.883 0.292 1.00 0.00 C ATOM 726 C ILE C 498 -21.922 -16.269 -0.328 1.00 0.00 C ATOM 727 O ILE C 498 -22.400 -17.239 0.271 1.00 0.00 O ATOM 728 CB ILE C 498 -20.910 -14.794 1.436 1.00 0.00 C ATOM 729 CG1 ILE C 498 -20.816 -13.371 2.019 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.548 -15.246 0.940 1.00 0.00 C ATOM 731 CD1 ILE C 498 -21.961 -12.987 2.931 1.00 0.00 C ATOM 0 H ILE C 498 -23.524 -15.120 1.645 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.728 -14.113 -0.441 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.237 -15.461 2.234 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -19.882 -13.280 2.573 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -20.769 -12.658 1.196 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.824 -15.176 1.752 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.610 -16.279 0.597 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.231 -14.608 0.115 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -21.811 -11.970 3.294 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -22.899 -13.041 2.379 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -21.998 -13.673 3.777 1.00 0.00 H new