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 -96:sc= 1.25 USER MOD Set 1.2: C 489 THR OG1 : rot -53:sc= 1.23 USER MOD Set 2.1: C 462 HIS : no HD1:sc= -1.24 K(o=-1.2,f=0.71) USER MOD Set 2.2: C 473 TYR OH : rot -11:sc= 0.0331 USER MOD Single : C 456 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : C 458 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.5!) USER MOD Single : C 460 MET CE :methyl 171:sc= -3.48! (180deg=-3.55!) USER MOD Single : C 463 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.095) USER MOD Single : C 465 GLN : amide:sc= 0.729 K(o=0.73,f=-1.8) USER MOD Single : C 467 MET CE :methyl -178:sc= -1.69 (180deg=-1.7) USER MOD Single : C 470 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.2) USER MOD Single : C 474 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.014) USER MOD Single : C 478 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.071) USER MOD Single : C 481 GLN : amide:sc= -1.42! X(o=-1.4!,f=-0.92) USER MOD Single : C 485 SER OG : rot 76:sc= 0.0747 USER MOD Single : C 490 THR OG1 : rot 89:sc= 1.26 USER MOD Single : C 492 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.007 -1.357 9.160 1.00 0.00 N ATOM 40 CA GLN C 456 -11.054 -1.698 10.116 1.00 0.00 C ATOM 41 C GLN C 456 -11.898 -2.860 9.607 1.00 0.00 C ATOM 42 O GLN C 456 -12.078 -3.859 10.304 1.00 0.00 O ATOM 43 CB GLN C 456 -11.947 -0.484 10.384 1.00 0.00 C ATOM 44 CG GLN C 456 -11.223 0.688 11.025 1.00 0.00 C ATOM 45 CD GLN C 456 -12.126 1.888 11.236 1.00 0.00 C ATOM 46 OE1 GLN C 456 -13.332 1.748 11.440 1.00 0.00 O ATOM 47 NE2 GLN C 456 -11.553 3.074 11.183 1.00 0.00 N ATOM 0 HA GLN C 456 -10.575 -2.000 11.047 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.387 -0.155 9.443 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.770 -0.787 11.031 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -10.811 0.375 11.984 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -10.381 0.978 10.396 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -10.550 3.149 11.012 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -12.112 3.917 11.313 1.00 0.00 H new ATOM 56 N LEU C 457 -12.390 -2.735 8.373 1.00 0.00 N ATOM 57 CA LEU C 457 -13.232 -3.765 7.775 1.00 0.00 C ATOM 58 C LEU C 457 -12.479 -5.077 7.632 1.00 0.00 C ATOM 59 O LEU C 457 -13.071 -6.154 7.731 1.00 0.00 O ATOM 60 CB LEU C 457 -13.776 -3.317 6.414 1.00 0.00 C ATOM 61 CG LEU C 457 -14.730 -2.120 6.432 1.00 0.00 C ATOM 62 CD1 LEU C 457 -15.257 -1.849 5.043 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.885 -2.363 7.383 1.00 0.00 C ATOM 0 H LEU C 457 -12.218 -1.930 7.771 1.00 0.00 H new ATOM 0 HA LEU C 457 -14.075 -3.924 8.447 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.931 -3.073 5.770 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -14.292 -4.161 5.956 1.00 0.00 H new ATOM 0 HG LEU C 457 -14.173 -1.249 6.779 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -15.934 -0.995 5.071 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -14.425 -1.630 4.374 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.793 -2.726 4.680 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -16.549 -1.498 7.378 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -16.438 -3.247 7.065 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.500 -2.519 8.391 1.00 0.00 H new ATOM 75 N ASN C 458 -11.174 -4.984 7.404 1.00 0.00 N ATOM 76 CA ASN C 458 -10.343 -6.173 7.284 1.00 0.00 C ATOM 77 C ASN C 458 -10.338 -6.940 8.590 1.00 0.00 C ATOM 78 O ASN C 458 -10.533 -8.151 8.607 1.00 0.00 O ATOM 79 CB ASN C 458 -8.906 -5.816 6.894 1.00 0.00 C ATOM 80 CG ASN C 458 -8.803 -5.137 5.547 1.00 0.00 C ATOM 81 OD1 ASN C 458 -9.635 -5.342 4.661 1.00 0.00 O ATOM 82 ND2 ASN C 458 -7.777 -4.334 5.375 1.00 0.00 N ATOM 0 H ASN C 458 -10.672 -4.102 7.299 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.767 -6.794 6.495 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.482 -5.162 7.656 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -8.304 -6.724 6.882 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -7.648 -3.855 4.484 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -7.110 -4.190 6.133 1.00 0.00 H new ATOM 89 N ALA C 459 -10.128 -6.219 9.691 1.00 0.00 N ATOM 90 CA ALA C 459 -10.116 -6.825 11.017 1.00 0.00 C ATOM 91 C ALA C 459 -11.434 -7.531 11.286 1.00 0.00 C ATOM 92 O ALA C 459 -11.460 -8.671 11.753 1.00 0.00 O ATOM 93 CB ALA C 459 -9.847 -5.771 12.081 1.00 0.00 C ATOM 0 H ALA C 459 -9.964 -5.212 9.688 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.315 -7.563 11.055 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.841 -6.240 13.065 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.879 -5.306 11.896 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.628 -5.011 12.046 1.00 0.00 H new ATOM 99 N MET C 460 -12.523 -6.852 10.960 1.00 0.00 N ATOM 100 CA MET C 460 -13.854 -7.385 11.119 1.00 0.00 C ATOM 101 C MET C 460 -14.006 -8.693 10.351 1.00 0.00 C ATOM 102 O MET C 460 -14.501 -9.690 10.886 1.00 0.00 O ATOM 103 CB MET C 460 -14.848 -6.356 10.612 1.00 0.00 C ATOM 104 CG MET C 460 -14.776 -5.032 11.371 1.00 0.00 C ATOM 105 SD MET C 460 -15.559 -3.671 10.500 1.00 0.00 S ATOM 106 CE MET C 460 -17.056 -4.460 9.981 1.00 0.00 C ATOM 0 H MET C 460 -12.500 -5.908 10.575 1.00 0.00 H new ATOM 0 HA MET C 460 -14.041 -7.595 12.172 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.664 -6.172 9.553 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.856 -6.761 10.695 1.00 0.00 H new ATOM 0 HG2 MET C 460 -15.251 -5.153 12.344 1.00 0.00 H new ATOM 0 HG3 MET C 460 -13.731 -4.783 11.555 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.734 -3.716 9.563 1.00 0.00 H new ATOM 0 HE2 MET C 460 -16.828 -5.210 9.223 1.00 0.00 H new ATOM 0 HE3 MET C 460 -17.529 -4.942 10.837 1.00 0.00 H new ATOM 116 N ALA C 461 -13.561 -8.688 9.102 1.00 0.00 N ATOM 117 CA ALA C 461 -13.622 -9.871 8.261 1.00 0.00 C ATOM 118 C ALA C 461 -12.720 -10.976 8.804 1.00 0.00 C ATOM 119 O ALA C 461 -13.042 -12.156 8.699 1.00 0.00 O ATOM 120 CB ALA C 461 -13.241 -9.523 6.831 1.00 0.00 C ATOM 0 H ALA C 461 -13.152 -7.871 8.648 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.647 -10.241 8.268 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.291 -10.419 6.213 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.932 -8.775 6.442 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.226 -9.125 6.811 1.00 0.00 H new ATOM 126 N HIS C 462 -11.593 -10.582 9.396 1.00 0.00 N ATOM 127 CA HIS C 462 -10.650 -11.537 9.976 1.00 0.00 C ATOM 128 C HIS C 462 -11.303 -12.366 11.065 1.00 0.00 C ATOM 129 O HIS C 462 -11.185 -13.586 11.068 1.00 0.00 O ATOM 130 CB HIS C 462 -9.398 -10.838 10.522 1.00 0.00 C ATOM 131 CG HIS C 462 -8.294 -10.699 9.517 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.282 -11.622 9.384 1.00 0.00 N ATOM 133 CD2 HIS C 462 -8.049 -9.745 8.592 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.466 -11.242 8.421 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.908 -10.106 7.923 1.00 0.00 N ATOM 0 H HIS C 462 -11.311 -9.606 9.487 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.342 -12.205 9.171 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.675 -9.847 10.883 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.026 -11.397 11.381 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -8.643 -8.861 8.413 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -5.584 -11.773 8.095 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -6.473 -9.581 7.164 1.00 0.00 H new ATOM 144 N GLN C 463 -12.001 -11.702 11.979 1.00 0.00 N ATOM 145 CA GLN C 463 -12.689 -12.390 13.074 1.00 0.00 C ATOM 146 C GLN C 463 -13.722 -13.373 12.542 1.00 0.00 C ATOM 147 O GLN C 463 -13.824 -14.498 13.028 1.00 0.00 O ATOM 148 CB GLN C 463 -13.351 -11.380 14.020 1.00 0.00 C ATOM 149 CG GLN C 463 -12.473 -10.942 15.189 1.00 0.00 C ATOM 150 CD GLN C 463 -11.107 -10.435 14.763 1.00 0.00 C ATOM 151 OE1 GLN C 463 -10.924 -9.250 14.513 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.143 -11.331 14.692 1.00 0.00 N ATOM 0 H GLN C 463 -12.108 -10.688 11.987 1.00 0.00 H new ATOM 0 HA GLN C 463 -11.942 -12.952 13.634 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -13.639 -10.498 13.447 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.268 -11.817 14.414 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -12.986 -10.157 15.744 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.344 -11.782 15.871 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.338 -12.308 14.909 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.202 -11.047 14.420 1.00 0.00 H new ATOM 161 N ILE C 464 -14.474 -12.954 11.538 1.00 0.00 N ATOM 162 CA ILE C 464 -15.460 -13.826 10.931 1.00 0.00 C ATOM 163 C ILE C 464 -14.777 -15.005 10.249 1.00 0.00 C ATOM 164 O ILE C 464 -15.210 -16.137 10.383 1.00 0.00 O ATOM 165 CB ILE C 464 -16.327 -13.088 9.901 1.00 0.00 C ATOM 166 CG1 ILE C 464 -17.045 -11.903 10.542 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.339 -14.042 9.285 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.822 -11.086 9.544 1.00 0.00 C ATOM 0 H ILE C 464 -14.420 -12.021 11.129 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.107 -14.180 11.734 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.673 -12.708 9.116 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.723 -12.268 11.313 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.313 -11.265 11.037 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.947 -13.506 8.556 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.814 -14.859 8.789 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.982 -14.446 10.067 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.312 -10.257 10.055 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -17.143 -10.695 8.787 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.575 -11.714 9.067 1.00 0.00 H new ATOM 180 N GLN C 465 -13.691 -14.723 9.540 1.00 0.00 N ATOM 181 CA GLN C 465 -12.930 -15.753 8.837 1.00 0.00 C ATOM 182 C GLN C 465 -12.360 -16.778 9.821 1.00 0.00 C ATOM 183 O GLN C 465 -12.149 -17.942 9.477 1.00 0.00 O ATOM 184 CB GLN C 465 -11.799 -15.110 8.029 1.00 0.00 C ATOM 185 CG GLN C 465 -11.079 -16.074 7.099 1.00 0.00 C ATOM 186 CD GLN C 465 -12.006 -16.682 6.066 1.00 0.00 C ATOM 187 OE1 GLN C 465 -12.977 -16.062 5.645 1.00 0.00 O ATOM 188 NE2 GLN C 465 -11.714 -17.897 5.658 1.00 0.00 N ATOM 0 H GLN C 465 -13.313 -13.781 9.435 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.604 -16.273 8.156 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -12.208 -14.290 7.439 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -11.074 -14.677 8.718 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -10.269 -15.549 6.592 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.623 -16.870 7.688 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -10.897 -18.378 6.033 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -12.305 -18.358 4.966 1.00 0.00 H new ATOM 197 N GLU C 466 -12.106 -16.336 11.042 1.00 0.00 N ATOM 198 CA GLU C 466 -11.604 -17.211 12.080 1.00 0.00 C ATOM 199 C GLU C 466 -12.718 -18.117 12.604 1.00 0.00 C ATOM 200 O GLU C 466 -12.466 -19.224 13.077 1.00 0.00 O ATOM 201 CB GLU C 466 -10.993 -16.387 13.218 1.00 0.00 C ATOM 202 CG GLU C 466 -9.734 -15.633 12.818 1.00 0.00 C ATOM 203 CD GLU C 466 -8.676 -16.531 12.209 1.00 0.00 C ATOM 204 OE1 GLU C 466 -7.959 -17.221 12.965 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.544 -16.541 10.970 1.00 0.00 O ATOM 0 H GLU C 466 -12.242 -15.369 11.336 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.825 -17.844 11.656 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -11.735 -15.674 13.577 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -10.760 -17.051 14.051 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -9.996 -14.853 12.104 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.320 -15.136 13.695 1.00 0.00 H new ATOM 212 N MET C 467 -13.953 -17.640 12.504 1.00 0.00 N ATOM 213 CA MET C 467 -15.113 -18.404 12.941 1.00 0.00 C ATOM 214 C MET C 467 -15.666 -19.246 11.792 1.00 0.00 C ATOM 215 O MET C 467 -16.226 -20.323 12.004 1.00 0.00 O ATOM 216 CB MET C 467 -16.206 -17.468 13.459 1.00 0.00 C ATOM 217 CG MET C 467 -15.796 -16.641 14.666 1.00 0.00 C ATOM 218 SD MET C 467 -17.148 -15.628 15.318 1.00 0.00 S ATOM 219 CE MET C 467 -17.525 -14.592 13.904 1.00 0.00 C ATOM 0 H MET C 467 -14.177 -16.721 12.121 1.00 0.00 H new ATOM 0 HA MET C 467 -14.797 -19.066 13.747 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.503 -16.795 12.655 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.083 -18.061 13.719 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.436 -17.306 15.451 1.00 0.00 H new ATOM 0 HG3 MET C 467 -14.964 -15.993 14.391 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.316 -13.890 14.168 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.633 -14.039 13.610 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.855 -15.216 13.074 1.00 0.00 H new ATOM 229 N PHE C 468 -15.507 -18.745 10.579 1.00 0.00 N ATOM 230 CA PHE C 468 -15.985 -19.422 9.384 1.00 0.00 C ATOM 231 C PHE C 468 -14.872 -19.578 8.350 1.00 0.00 C ATOM 232 O PHE C 468 -14.863 -18.894 7.334 1.00 0.00 O ATOM 233 CB PHE C 468 -17.160 -18.658 8.768 1.00 0.00 C ATOM 234 CG PHE C 468 -18.452 -18.839 9.500 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.713 -18.137 10.664 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.405 -19.718 9.026 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.902 -18.311 11.338 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.594 -19.897 9.696 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.845 -19.192 10.853 1.00 0.00 C ATOM 0 H PHE C 468 -15.042 -17.856 10.394 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.319 -20.416 9.681 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.915 -17.596 8.740 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.290 -18.982 7.736 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.977 -17.446 11.048 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.215 -20.272 8.118 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -20.095 -17.758 12.245 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.330 -20.590 9.315 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.778 -19.329 11.379 1.00 0.00 H new ATOM 249 N PRO C 469 -13.915 -20.483 8.602 1.00 0.00 N ATOM 250 CA PRO C 469 -12.804 -20.728 7.689 1.00 0.00 C ATOM 251 C PRO C 469 -13.263 -21.430 6.419 1.00 0.00 C ATOM 252 O PRO C 469 -12.555 -21.443 5.411 1.00 0.00 O ATOM 253 CB PRO C 469 -11.863 -21.646 8.486 1.00 0.00 C ATOM 254 CG PRO C 469 -12.361 -21.603 9.888 1.00 0.00 C ATOM 255 CD PRO C 469 -13.822 -21.310 9.799 1.00 0.00 C ATOM 0 HA PRO C 469 -12.334 -19.799 7.366 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.881 -22.663 8.094 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.831 -21.299 8.425 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -12.184 -22.552 10.394 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -11.844 -20.834 10.462 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.412 -22.222 9.707 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -14.183 -20.784 10.683 1.00 0.00 H new ATOM 263 N GLN C 470 -14.453 -22.015 6.484 1.00 0.00 N ATOM 264 CA GLN C 470 -15.028 -22.749 5.359 1.00 0.00 C ATOM 265 C GLN C 470 -15.283 -21.844 4.150 1.00 0.00 C ATOM 266 O GLN C 470 -15.306 -22.314 3.015 1.00 0.00 O ATOM 267 CB GLN C 470 -16.326 -23.459 5.774 1.00 0.00 C ATOM 268 CG GLN C 470 -17.406 -22.527 6.300 1.00 0.00 C ATOM 269 CD GLN C 470 -18.753 -23.213 6.445 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.072 -24.144 5.704 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.547 -22.766 7.396 1.00 0.00 N ATOM 0 H GLN C 470 -15.046 -21.995 7.314 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.295 -23.498 5.061 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.719 -24.004 4.916 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.094 -24.197 6.542 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.099 -22.131 7.268 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.507 -21.677 5.625 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.247 -21.993 7.989 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.462 -23.193 7.539 1.00 0.00 H new ATOM 280 N VAL C 471 -15.469 -20.555 4.390 1.00 0.00 N ATOM 281 CA VAL C 471 -15.720 -19.620 3.311 1.00 0.00 C ATOM 282 C VAL C 471 -14.453 -18.819 2.989 1.00 0.00 C ATOM 283 O VAL C 471 -13.507 -18.807 3.775 1.00 0.00 O ATOM 284 CB VAL C 471 -16.881 -18.649 3.644 1.00 0.00 C ATOM 285 CG1 VAL C 471 -18.144 -19.410 4.003 1.00 0.00 C ATOM 286 CG2 VAL C 471 -16.490 -17.692 4.751 1.00 0.00 C ATOM 0 H VAL C 471 -15.450 -20.136 5.320 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.011 -20.206 2.440 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.089 -18.060 2.751 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.942 -18.703 4.232 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.443 -20.035 3.162 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -17.955 -20.038 4.873 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.323 -17.022 4.964 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.240 -18.257 5.649 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.625 -17.107 4.438 1.00 0.00 H new ATOM 296 N PRO C 472 -14.399 -18.190 1.810 1.00 0.00 N ATOM 297 CA PRO C 472 -13.267 -17.365 1.398 1.00 0.00 C ATOM 298 C PRO C 472 -13.292 -15.977 2.042 1.00 0.00 C ATOM 299 O PRO C 472 -14.328 -15.298 2.054 1.00 0.00 O ATOM 300 CB PRO C 472 -13.433 -17.247 -0.126 1.00 0.00 C ATOM 301 CG PRO C 472 -14.585 -18.132 -0.471 1.00 0.00 C ATOM 302 CD PRO C 472 -15.410 -18.245 0.773 1.00 0.00 C ATOM 0 HA PRO C 472 -12.318 -17.807 1.702 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.628 -16.216 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.527 -17.561 -0.645 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -15.169 -17.710 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -14.239 -19.112 -0.799 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.130 -17.431 0.861 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -15.976 -19.176 0.804 1.00 0.00 H new ATOM 310 N TYR C 473 -12.138 -15.557 2.526 1.00 0.00 N ATOM 311 CA TYR C 473 -11.968 -14.270 3.206 1.00 0.00 C ATOM 312 C TYR C 473 -12.411 -13.087 2.334 1.00 0.00 C ATOM 313 O TYR C 473 -13.031 -12.140 2.828 1.00 0.00 O ATOM 314 CB TYR C 473 -10.500 -14.103 3.622 1.00 0.00 C ATOM 315 CG TYR C 473 -10.157 -12.746 4.195 1.00 0.00 C ATOM 316 CD1 TYR C 473 -10.503 -12.409 5.496 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.480 -11.801 3.431 1.00 0.00 C ATOM 318 CE1 TYR C 473 -10.188 -11.172 6.018 1.00 0.00 C ATOM 319 CE2 TYR C 473 -9.162 -10.564 3.947 1.00 0.00 C ATOM 320 CZ TYR C 473 -9.517 -10.254 5.239 1.00 0.00 C ATOM 321 OH TYR C 473 -9.201 -9.018 5.755 1.00 0.00 O ATOM 0 H TYR C 473 -11.277 -16.101 2.461 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.608 -14.272 4.088 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -10.257 -14.867 4.361 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.867 -14.286 2.754 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -11.027 -13.127 6.109 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.199 -12.041 2.416 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -10.466 -10.924 7.032 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.637 -9.841 3.340 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.668 -8.890 6.607 1.00 0.00 H new ATOM 331 N HIS C 474 -12.099 -13.147 1.039 1.00 0.00 N ATOM 332 CA HIS C 474 -12.448 -12.056 0.114 1.00 0.00 C ATOM 333 C HIS C 474 -13.947 -11.832 0.077 1.00 0.00 C ATOM 334 O HIS C 474 -14.415 -10.696 0.049 1.00 0.00 O ATOM 335 CB HIS C 474 -11.978 -12.347 -1.315 1.00 0.00 C ATOM 336 CG HIS C 474 -10.530 -12.675 -1.467 1.00 0.00 C ATOM 337 ND1 HIS C 474 -9.516 -11.966 -0.861 1.00 0.00 N ATOM 338 CD2 HIS C 474 -9.932 -13.652 -2.173 1.00 0.00 C ATOM 339 CE1 HIS C 474 -8.356 -12.493 -1.193 1.00 0.00 C ATOM 340 NE2 HIS C 474 -8.579 -13.519 -1.987 1.00 0.00 N ATOM 0 H HIS C 474 -11.610 -13.930 0.605 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.942 -11.166 0.488 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -12.563 -13.179 -1.708 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -12.202 -11.479 -1.935 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -10.425 -14.401 -2.774 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -7.387 -12.143 -0.869 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -7.862 -14.118 -2.397 1.00 0.00 H new ATOM 349 N LEU C 475 -14.698 -12.920 0.080 1.00 0.00 N ATOM 350 CA LEU C 475 -16.138 -12.840 -0.018 1.00 0.00 C ATOM 351 C LEU C 475 -16.733 -12.315 1.275 1.00 0.00 C ATOM 352 O LEU C 475 -17.768 -11.650 1.266 1.00 0.00 O ATOM 353 CB LEU C 475 -16.729 -14.196 -0.373 1.00 0.00 C ATOM 354 CG LEU C 475 -16.083 -14.923 -1.561 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.946 -16.082 -2.006 1.00 0.00 C ATOM 356 CD2 LEU C 475 -15.805 -13.974 -2.724 1.00 0.00 C ATOM 0 H LEU C 475 -14.330 -13.869 0.150 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.389 -12.142 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.659 -14.841 0.503 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.789 -14.063 -0.587 1.00 0.00 H new ATOM 0 HG LEU C 475 -15.122 -15.313 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.473 -16.586 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -17.063 -16.786 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.925 -15.711 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -15.348 -14.528 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -16.741 -13.530 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.127 -13.186 -2.396 1.00 0.00 H new ATOM 368 N VAL C 476 -16.076 -12.614 2.384 1.00 0.00 N ATOM 369 CA VAL C 476 -16.494 -12.103 3.678 1.00 0.00 C ATOM 370 C VAL C 476 -16.329 -10.589 3.694 1.00 0.00 C ATOM 371 O VAL C 476 -17.264 -9.854 3.994 1.00 0.00 O ATOM 372 CB VAL C 476 -15.665 -12.721 4.831 1.00 0.00 C ATOM 373 CG1 VAL C 476 -16.116 -12.177 6.175 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.769 -14.233 4.811 1.00 0.00 C ATOM 0 H VAL C 476 -15.249 -13.210 2.413 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.538 -12.376 3.830 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.622 -12.443 4.683 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.519 -12.626 6.968 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.986 -11.095 6.192 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -17.167 -12.419 6.331 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -15.180 -14.649 5.628 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.812 -14.528 4.929 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -15.390 -14.611 3.862 1.00 0.00 H new ATOM 384 N LEU C 477 -15.131 -10.136 3.326 1.00 0.00 N ATOM 385 CA LEU C 477 -14.815 -8.711 3.253 1.00 0.00 C ATOM 386 C LEU C 477 -15.790 -7.989 2.332 1.00 0.00 C ATOM 387 O LEU C 477 -16.165 -6.846 2.580 1.00 0.00 O ATOM 388 CB LEU C 477 -13.388 -8.528 2.738 1.00 0.00 C ATOM 389 CG LEU C 477 -12.426 -7.811 3.678 1.00 0.00 C ATOM 390 CD1 LEU C 477 -11.064 -7.660 3.030 1.00 0.00 C ATOM 391 CD2 LEU C 477 -12.978 -6.455 4.091 1.00 0.00 C ATOM 0 H LEU C 477 -14.354 -10.746 3.071 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.902 -8.284 4.252 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -12.976 -9.511 2.509 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -13.429 -7.974 1.800 1.00 0.00 H new ATOM 0 HG LEU C 477 -12.315 -8.417 4.577 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -10.390 -7.146 3.715 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.661 -8.645 2.796 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -11.160 -7.080 2.112 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -12.273 -5.964 4.762 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -13.127 -5.838 3.205 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -13.931 -6.591 4.603 1.00 0.00 H new ATOM 403 N GLN C 478 -16.188 -8.677 1.275 1.00 0.00 N ATOM 404 CA GLN C 478 -17.147 -8.166 0.310 1.00 0.00 C ATOM 405 C GLN C 478 -18.440 -7.722 1.008 1.00 0.00 C ATOM 406 O GLN C 478 -18.988 -6.654 0.712 1.00 0.00 O ATOM 407 CB GLN C 478 -17.462 -9.258 -0.708 1.00 0.00 C ATOM 408 CG GLN C 478 -18.342 -8.817 -1.854 1.00 0.00 C ATOM 409 CD GLN C 478 -18.827 -9.985 -2.697 1.00 0.00 C ATOM 410 OE1 GLN C 478 -19.004 -9.863 -3.908 1.00 0.00 O ATOM 411 NE2 GLN C 478 -19.066 -11.118 -2.057 1.00 0.00 N ATOM 0 H GLN C 478 -15.851 -9.616 1.061 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.714 -7.301 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.525 -9.639 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.947 -10.087 -0.193 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -19.202 -8.275 -1.460 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -17.789 -8.122 -2.486 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -18.906 -11.179 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -19.410 -11.930 -2.569 1.00 0.00 H new ATOM 420 N ASP C 479 -18.905 -8.540 1.945 1.00 0.00 N ATOM 421 CA ASP C 479 -20.126 -8.245 2.686 1.00 0.00 C ATOM 422 C ASP C 479 -19.871 -7.152 3.711 1.00 0.00 C ATOM 423 O ASP C 479 -20.746 -6.375 4.024 1.00 0.00 O ATOM 424 CB ASP C 479 -20.652 -9.495 3.379 1.00 0.00 C ATOM 425 CG ASP C 479 -22.021 -9.290 4.017 1.00 0.00 C ATOM 426 OD1 ASP C 479 -22.089 -8.747 5.141 1.00 0.00 O ATOM 427 OD2 ASP C 479 -23.030 -9.681 3.401 1.00 0.00 O ATOM 0 H ASP C 479 -18.454 -9.415 2.210 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.878 -7.898 1.977 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.713 -10.307 2.655 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.942 -9.804 4.146 1.00 0.00 H new ATOM 432 N LEU C 480 -18.657 -7.083 4.220 1.00 0.00 N ATOM 433 CA LEU C 480 -18.298 -6.038 5.168 1.00 0.00 C ATOM 434 C LEU C 480 -18.246 -4.674 4.502 1.00 0.00 C ATOM 435 O LEU C 480 -18.221 -3.657 5.169 1.00 0.00 O ATOM 436 CB LEU C 480 -16.989 -6.333 5.902 1.00 0.00 C ATOM 437 CG LEU C 480 -17.109 -7.201 7.153 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.322 -6.807 7.977 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.181 -8.644 6.785 1.00 0.00 C ATOM 0 H LEU C 480 -17.903 -7.733 3.997 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.089 -6.023 5.918 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.307 -6.823 5.207 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.531 -5.385 6.183 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.218 -7.039 7.760 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.383 -7.441 8.861 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.231 -5.765 8.283 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.224 -6.932 7.379 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.266 -9.246 7.689 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.052 -8.815 6.152 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.278 -8.927 6.244 1.00 0.00 H new ATOM 451 N GLN C 481 -18.213 -4.662 3.184 1.00 0.00 N ATOM 452 CA GLN C 481 -18.273 -3.417 2.438 1.00 0.00 C ATOM 453 C GLN C 481 -19.733 -3.066 2.227 1.00 0.00 C ATOM 454 O GLN C 481 -20.099 -1.923 1.961 1.00 0.00 O ATOM 455 CB GLN C 481 -17.596 -3.571 1.081 1.00 0.00 C ATOM 456 CG GLN C 481 -16.149 -4.019 1.140 1.00 0.00 C ATOM 457 CD GLN C 481 -15.253 -3.057 1.880 1.00 0.00 C ATOM 458 OE1 GLN C 481 -15.505 -1.853 1.917 1.00 0.00 O ATOM 459 NE2 GLN C 481 -14.188 -3.577 2.452 1.00 0.00 N ATOM 0 H GLN C 481 -18.145 -5.500 2.606 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.758 -2.634 2.994 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -18.161 -4.291 0.489 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.645 -2.617 0.556 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -16.098 -4.995 1.622 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.774 -4.145 0.124 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -14.018 -4.581 2.396 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -13.532 -2.976 2.951 1.00 0.00 H new ATOM 468 N LEU C 482 -20.543 -4.086 2.358 1.00 0.00 N ATOM 469 CA LEU C 482 -21.954 -4.033 2.144 1.00 0.00 C ATOM 470 C LEU C 482 -22.699 -3.696 3.441 1.00 0.00 C ATOM 471 O LEU C 482 -23.398 -2.681 3.525 1.00 0.00 O ATOM 472 CB LEU C 482 -22.367 -5.394 1.638 1.00 0.00 C ATOM 473 CG LEU C 482 -23.833 -5.666 1.544 1.00 0.00 C ATOM 474 CD1 LEU C 482 -24.427 -4.984 0.328 1.00 0.00 C ATOM 475 CD2 LEU C 482 -24.048 -7.149 1.497 1.00 0.00 C ATOM 0 H LEU C 482 -20.215 -5.013 2.629 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.202 -3.252 1.426 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -21.932 -5.534 0.648 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -21.924 -6.147 2.290 1.00 0.00 H new ATOM 0 HG LEU C 482 -24.340 -5.260 2.420 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -25.495 -5.195 0.278 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -24.273 -3.908 0.403 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.941 -5.358 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -25.115 -7.360 1.428 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -23.539 -7.563 0.626 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -23.646 -7.604 2.402 1.00 0.00 H new ATOM 487 N THR C 483 -22.531 -4.533 4.453 1.00 0.00 N ATOM 488 CA THR C 483 -23.221 -4.354 5.711 1.00 0.00 C ATOM 489 C THR C 483 -22.360 -3.604 6.693 1.00 0.00 C ATOM 490 O THR C 483 -22.857 -2.781 7.465 1.00 0.00 O ATOM 491 CB THR C 483 -23.604 -5.709 6.341 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.429 -6.520 6.478 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.629 -6.431 5.484 1.00 0.00 C ATOM 0 H THR C 483 -21.917 -5.347 4.422 1.00 0.00 H new ATOM 0 HA THR C 483 -24.125 -3.785 5.496 1.00 0.00 H new ATOM 0 HB THR C 483 -24.043 -5.527 7.322 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.361 -7.129 5.713 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.884 -7.384 5.947 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.526 -5.818 5.396 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.213 -6.610 4.492 1.00 0.00 H new ATOM 501 N ARG C 484 -21.046 -3.890 6.653 1.00 0.00 N ATOM 502 CA ARG C 484 -20.091 -3.320 7.583 1.00 0.00 C ATOM 503 C ARG C 484 -20.471 -3.727 9.001 1.00 0.00 C ATOM 504 O ARG C 484 -20.138 -3.058 9.982 1.00 0.00 O ATOM 505 CB ARG C 484 -20.041 -1.802 7.420 1.00 0.00 C ATOM 506 CG ARG C 484 -19.944 -1.378 5.969 1.00 0.00 C ATOM 507 CD ARG C 484 -19.745 0.102 5.820 1.00 0.00 C ATOM 508 NE ARG C 484 -19.761 0.501 4.410 1.00 0.00 N ATOM 509 CZ ARG C 484 -18.753 1.109 3.779 1.00 0.00 C ATOM 510 NH1 ARG C 484 -17.636 1.409 4.432 1.00 0.00 N ATOM 511 NH2 ARG C 484 -18.863 1.413 2.491 1.00 0.00 N ATOM 0 H ARG C 484 -20.630 -4.524 5.971 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.091 -3.701 7.374 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -20.934 -1.362 7.865 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.185 -1.409 7.968 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.115 -1.903 5.494 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.852 -1.675 5.445 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -20.529 0.633 6.360 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -18.796 0.391 6.271 1.00 0.00 H new ATOM 0 HE ARG C 484 -20.603 0.300 3.871 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -17.545 1.175 5.421 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -16.870 1.873 3.945 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -19.717 1.182 1.984 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -18.093 1.877 2.009 1.00 0.00 H new ATOM 525 N SER C 485 -21.150 -4.859 9.083 1.00 0.00 N ATOM 526 CA SER C 485 -21.652 -5.393 10.316 1.00 0.00 C ATOM 527 C SER C 485 -21.413 -6.897 10.369 1.00 0.00 C ATOM 528 O SER C 485 -22.141 -7.659 9.739 1.00 0.00 O ATOM 529 CB SER C 485 -23.146 -5.104 10.395 1.00 0.00 C ATOM 530 OG SER C 485 -23.394 -3.710 10.499 1.00 0.00 O ATOM 0 H SER C 485 -21.367 -5.437 8.271 1.00 0.00 H new ATOM 0 HA SER C 485 -21.136 -4.930 11.157 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.643 -5.499 9.509 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.573 -5.617 11.256 1.00 0.00 H new ATOM 0 HG SER C 485 -23.262 -3.288 9.624 1.00 0.00 H new ATOM 536 N VAL C 486 -20.396 -7.322 11.128 1.00 0.00 N ATOM 537 CA VAL C 486 -20.048 -8.735 11.216 1.00 0.00 C ATOM 538 C VAL C 486 -21.204 -9.561 11.771 1.00 0.00 C ATOM 539 O VAL C 486 -21.338 -10.747 11.463 1.00 0.00 O ATOM 540 CB VAL C 486 -18.770 -8.977 12.067 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.636 -8.091 11.602 1.00 0.00 C ATOM 542 CG2 VAL C 486 -19.024 -8.787 13.551 1.00 0.00 C ATOM 0 H VAL C 486 -19.805 -6.706 11.686 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.839 -9.061 10.197 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.482 -10.018 11.919 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.753 -8.279 12.213 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.408 -8.309 10.559 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.928 -7.045 11.699 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -18.102 -8.967 14.104 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.364 -7.768 13.734 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.789 -9.490 13.882 1.00 0.00 H new ATOM 552 N GLU C 487 -22.038 -8.922 12.581 1.00 0.00 N ATOM 553 CA GLU C 487 -23.202 -9.564 13.155 1.00 0.00 C ATOM 554 C GLU C 487 -24.136 -10.006 12.044 1.00 0.00 C ATOM 555 O GLU C 487 -24.695 -11.105 12.077 1.00 0.00 O ATOM 556 CB GLU C 487 -23.935 -8.606 14.096 1.00 0.00 C ATOM 557 CG GLU C 487 -23.025 -7.852 15.057 1.00 0.00 C ATOM 558 CD GLU C 487 -22.551 -6.520 14.495 1.00 0.00 C ATOM 559 OE1 GLU C 487 -21.664 -6.517 13.626 1.00 0.00 O ATOM 560 OE2 GLU C 487 -23.078 -5.473 14.918 1.00 0.00 O ATOM 0 H GLU C 487 -21.923 -7.946 12.855 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.877 -10.432 13.728 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.491 -7.884 13.499 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.666 -9.172 14.674 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -23.556 -7.678 15.993 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -22.159 -8.471 15.292 1.00 0.00 H new ATOM 567 N ILE C 488 -24.282 -9.145 11.052 1.00 0.00 N ATOM 568 CA ILE C 488 -25.116 -9.437 9.915 1.00 0.00 C ATOM 569 C ILE C 488 -24.374 -10.365 8.976 1.00 0.00 C ATOM 570 O ILE C 488 -24.866 -11.416 8.652 1.00 0.00 O ATOM 571 CB ILE C 488 -25.522 -8.155 9.158 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.097 -7.117 10.134 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.540 -8.479 8.072 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.558 -5.832 9.469 1.00 0.00 C ATOM 0 H ILE C 488 -23.827 -8.233 11.018 1.00 0.00 H new ATOM 0 HA ILE C 488 -26.027 -9.913 10.278 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.633 -7.735 8.687 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.939 -7.561 10.666 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.340 -6.876 10.880 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.816 -7.564 7.547 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -26.105 -9.186 7.365 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.428 -8.919 8.525 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.950 -5.152 10.225 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.716 -5.363 8.961 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.339 -6.058 8.743 1.00 0.00 H new ATOM 586 N THR C 489 -23.167 -9.955 8.573 1.00 0.00 N ATOM 587 CA THR C 489 -22.287 -10.730 7.698 1.00 0.00 C ATOM 588 C THR C 489 -22.250 -12.219 8.063 1.00 0.00 C ATOM 589 O THR C 489 -22.376 -13.068 7.196 1.00 0.00 O ATOM 590 CB THR C 489 -20.857 -10.176 7.753 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.880 -8.774 7.494 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.962 -10.859 6.730 1.00 0.00 C ATOM 0 H THR C 489 -22.769 -9.058 8.852 1.00 0.00 H new ATOM 0 HA THR C 489 -22.696 -10.637 6.692 1.00 0.00 H new ATOM 0 HB THR C 489 -20.455 -10.370 8.748 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.353 -8.604 6.653 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.956 -10.445 6.793 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.928 -11.929 6.934 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.361 -10.693 5.729 1.00 0.00 H new ATOM 600 N THR C 490 -22.091 -12.529 9.345 1.00 0.00 N ATOM 601 CA THR C 490 -22.029 -13.914 9.780 1.00 0.00 C ATOM 602 C THR C 490 -23.325 -14.656 9.435 1.00 0.00 C ATOM 603 O THR C 490 -23.297 -15.774 8.913 1.00 0.00 O ATOM 604 CB THR C 490 -21.742 -14.016 11.289 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.547 -13.284 11.600 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.555 -15.463 11.689 1.00 0.00 C ATOM 0 H THR C 490 -22.003 -11.843 10.095 1.00 0.00 H new ATOM 0 HA THR C 490 -21.205 -14.387 9.245 1.00 0.00 H new ATOM 0 HB THR C 490 -22.587 -13.599 11.837 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.776 -12.351 11.793 1.00 0.00 H new ATOM 0 HG21 THR C 490 -21.353 -15.522 12.758 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.461 -16.024 11.460 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.716 -15.888 11.137 1.00 0.00 H new ATOM 614 N ASP C 491 -24.451 -14.014 9.694 1.00 0.00 N ATOM 615 CA ASP C 491 -25.754 -14.586 9.364 1.00 0.00 C ATOM 616 C ASP C 491 -25.934 -14.560 7.861 1.00 0.00 C ATOM 617 O ASP C 491 -26.474 -15.480 7.264 1.00 0.00 O ATOM 618 CB ASP C 491 -26.866 -13.784 10.034 1.00 0.00 C ATOM 619 CG ASP C 491 -28.226 -14.397 9.825 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.527 -15.416 10.475 1.00 0.00 O ATOM 621 OD2 ASP C 491 -29.010 -13.855 9.020 1.00 0.00 O ATOM 0 H ASP C 491 -24.494 -13.094 10.133 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.803 -15.614 9.724 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.664 -13.712 11.103 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.865 -12.768 9.640 1.00 0.00 H new ATOM 626 N ASN C 492 -25.445 -13.489 7.270 1.00 0.00 N ATOM 627 CA ASN C 492 -25.453 -13.277 5.840 1.00 0.00 C ATOM 628 C ASN C 492 -24.795 -14.448 5.126 1.00 0.00 C ATOM 629 O ASN C 492 -25.333 -14.971 4.152 1.00 0.00 O ATOM 630 CB ASN C 492 -24.732 -11.958 5.530 1.00 0.00 C ATOM 631 CG ASN C 492 -25.672 -10.779 5.494 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.769 -10.828 6.050 1.00 0.00 O ATOM 633 ND2 ASN C 492 -25.253 -9.709 4.855 1.00 0.00 N ATOM 0 H ASN C 492 -25.019 -12.721 7.788 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.480 -13.212 5.480 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.963 -11.783 6.283 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -24.224 -12.043 4.569 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.844 -8.879 4.807 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.337 -9.709 4.407 1.00 0.00 H new ATOM 640 N ILE C 493 -23.635 -14.866 5.627 1.00 0.00 N ATOM 641 CA ILE C 493 -22.926 -16.024 5.090 1.00 0.00 C ATOM 642 C ILE C 493 -23.838 -17.237 5.106 1.00 0.00 C ATOM 643 O ILE C 493 -24.030 -17.910 4.092 1.00 0.00 O ATOM 644 CB ILE C 493 -21.682 -16.371 5.949 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.712 -15.207 6.018 1.00 0.00 C ATOM 646 CG2 ILE C 493 -20.981 -17.602 5.403 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.634 -15.397 7.059 1.00 0.00 C ATOM 0 H ILE C 493 -23.163 -14.415 6.411 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.616 -15.774 4.075 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.031 -16.581 6.960 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.247 -15.071 5.042 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.265 -14.293 6.238 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.111 -17.829 6.019 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.667 -18.449 5.419 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.660 -17.414 4.378 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.972 -14.531 7.060 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.092 -15.504 8.042 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.059 -16.293 6.828 1.00 0.00 H new ATOM 659 N LEU C 494 -24.407 -17.477 6.268 1.00 0.00 N ATOM 660 CA LEU C 494 -25.280 -18.606 6.516 1.00 0.00 C ATOM 661 C LEU C 494 -26.513 -18.586 5.615 1.00 0.00 C ATOM 662 O LEU C 494 -26.992 -19.632 5.187 1.00 0.00 O ATOM 663 CB LEU C 494 -25.681 -18.597 7.989 1.00 0.00 C ATOM 664 CG LEU C 494 -24.519 -18.781 8.969 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.931 -18.413 10.378 1.00 0.00 C ATOM 666 CD2 LEU C 494 -24.007 -20.209 8.920 1.00 0.00 C ATOM 0 H LEU C 494 -24.273 -16.880 7.084 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.742 -19.525 6.282 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.179 -17.653 8.210 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.410 -19.389 8.158 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.714 -18.111 8.669 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -24.086 -18.553 11.052 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -25.247 -17.370 10.404 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.757 -19.050 10.694 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.181 -20.324 9.622 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.811 -20.893 9.191 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.660 -20.437 7.912 1.00 0.00 H new ATOM 678 N GLU C 495 -27.007 -17.396 5.316 1.00 0.00 N ATOM 679 CA GLU C 495 -28.183 -17.248 4.471 1.00 0.00 C ATOM 680 C GLU C 495 -27.835 -17.333 2.987 1.00 0.00 C ATOM 681 O GLU C 495 -28.718 -17.281 2.130 1.00 0.00 O ATOM 682 CB GLU C 495 -28.892 -15.936 4.773 1.00 0.00 C ATOM 683 CG GLU C 495 -29.418 -15.844 6.190 1.00 0.00 C ATOM 684 CD GLU C 495 -30.286 -17.021 6.561 1.00 0.00 C ATOM 685 OE1 GLU C 495 -31.419 -17.116 6.043 1.00 0.00 O ATOM 686 OE2 GLU C 495 -29.849 -17.861 7.374 1.00 0.00 O ATOM 0 H GLU C 495 -26.612 -16.516 5.646 1.00 0.00 H new ATOM 0 HA GLU C 495 -28.853 -18.077 4.698 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.202 -15.111 4.596 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.722 -15.813 4.077 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -28.579 -15.783 6.883 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -29.991 -14.924 6.302 1.00 0.00 H new ATOM 693 N GLY C 496 -26.553 -17.448 2.687 1.00 0.00 N ATOM 694 CA GLY C 496 -26.131 -17.587 1.307 1.00 0.00 C ATOM 695 C GLY C 496 -25.748 -16.275 0.656 1.00 0.00 C ATOM 696 O GLY C 496 -25.596 -16.208 -0.563 1.00 0.00 O ATOM 0 H GLY C 496 -25.796 -17.448 3.371 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.280 -18.267 1.263 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -26.936 -18.046 0.734 1.00 0.00 H new ATOM 700 N ARG C 497 -25.598 -15.228 1.455 1.00 0.00 N ATOM 701 CA ARG C 497 -25.185 -13.932 0.930 1.00 0.00 C ATOM 702 C ARG C 497 -23.726 -14.016 0.512 1.00 0.00 C ATOM 703 O ARG C 497 -23.312 -13.430 -0.487 1.00 0.00 O ATOM 704 CB ARG C 497 -25.385 -12.839 1.980 1.00 0.00 C ATOM 705 CG ARG C 497 -25.161 -11.419 1.471 1.00 0.00 C ATOM 706 CD ARG C 497 -26.054 -11.109 0.277 1.00 0.00 C ATOM 707 NE ARG C 497 -26.059 -9.681 -0.058 1.00 0.00 N ATOM 708 CZ ARG C 497 -25.961 -9.189 -1.299 1.00 0.00 C ATOM 709 NH1 ARG C 497 -25.780 -10.002 -2.333 1.00 0.00 N ATOM 710 NH2 ARG C 497 -26.043 -7.876 -1.500 1.00 0.00 N ATOM 0 H ARG C 497 -25.755 -15.249 2.463 1.00 0.00 H new ATOM 0 HA ARG C 497 -25.797 -13.675 0.065 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.398 -12.914 2.374 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -24.705 -13.024 2.812 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -25.362 -10.708 2.272 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.116 -11.293 1.188 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -25.714 -11.681 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -27.072 -11.433 0.494 1.00 0.00 H new ATOM 0 HE ARG C 497 -26.143 -9.015 0.710 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -25.715 -11.009 -2.185 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -25.706 -9.620 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -26.180 -7.247 -0.709 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -25.969 -7.499 -2.445 1.00 0.00 H new ATOM 724 N ILE C 498 -22.959 -14.758 1.292 1.00 0.00 N ATOM 725 CA ILE C 498 -21.577 -15.029 0.975 1.00 0.00 C ATOM 726 C ILE C 498 -21.493 -16.436 0.409 1.00 0.00 C ATOM 727 O ILE C 498 -21.595 -17.426 1.144 1.00 0.00 O ATOM 728 CB ILE C 498 -20.636 -14.901 2.218 1.00 0.00 C ATOM 729 CG1 ILE C 498 -20.540 -13.444 2.709 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.243 -15.437 1.904 1.00 0.00 C ATOM 731 CD1 ILE C 498 -21.790 -12.919 3.380 1.00 0.00 C ATOM 0 H ILE C 498 -23.281 -15.186 2.160 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.238 -14.288 0.251 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.074 -15.501 3.016 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -19.708 -13.365 3.409 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -20.304 -12.803 1.859 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.608 -15.337 2.784 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.312 -16.488 1.624 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -18.812 -14.870 1.079 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -21.629 -11.887 3.692 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -22.624 -12.961 2.679 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -22.019 -13.531 4.253 1.00 0.00 H new