USER MOD reduce.3.24.130724 H: found=0, std=0, add=353, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 354 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 483 THR OG1 : rot -104:sc= 1.44 USER MOD Set 1.2: C 489 THR OG1 : rot -57:sc= 0.996 USER MOD Set 2.1: C 458 ASN : amide:sc= 0 X(o=0.18,f=0.47) USER MOD Set 2.2: C 462 HIS : no HD1:sc= 0 X(o=0.18,f=0.52) USER MOD Set 2.3: C 473 TYR OH : rot -82:sc= 0.178 USER MOD Single : C 456 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.93) USER MOD Single : C 460 MET CE :methyl 164:sc= -3.12 (180deg=-3.7!) USER MOD Single : C 463 GLN :FLIP amide:sc= -0.0779 F(o=-0.94,f=-0.078) USER MOD Single : C 465 GLN : amide:sc= 1.01 K(o=1,f=-1.2) USER MOD Single : C 467 MET CE :methyl -173:sc= -1.45 (180deg=-1.54) USER MOD Single : C 470 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.46) USER MOD Single : C 474 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.016) USER MOD Single : C 478 GLN :FLIP amide:sc= -0.0484 F(o=-1.3!,f=-0.048) USER MOD Single : C 481 GLN :FLIP amide:sc= -1.25 F(o=-2.5!,f=-1.2) USER MOD Single : C 485 SER OG : rot 180:sc= 0 USER MOD Single : C 490 THR OG1 : rot 87:sc= 1.22 USER MOD Single : C 492 ASN : amide:sc= -5.61! C(o=-5.6!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -9.922 -1.464 9.494 1.00 0.00 N ATOM 40 CA GLN C 456 -11.046 -1.869 10.329 1.00 0.00 C ATOM 41 C GLN C 456 -11.824 -3.012 9.693 1.00 0.00 C ATOM 42 O GLN C 456 -12.146 -3.994 10.356 1.00 0.00 O ATOM 43 CB GLN C 456 -11.975 -0.691 10.609 1.00 0.00 C ATOM 44 CG GLN C 456 -11.351 0.388 11.474 1.00 0.00 C ATOM 45 CD GLN C 456 -10.915 -0.137 12.827 1.00 0.00 C ATOM 46 OE1 GLN C 456 -11.501 -1.080 13.363 1.00 0.00 O ATOM 47 NE2 GLN C 456 -9.882 0.462 13.386 1.00 0.00 N ATOM 0 HA GLN C 456 -10.637 -2.220 11.276 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.284 -0.250 9.661 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.877 -1.060 11.098 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -10.490 0.812 10.957 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -12.068 1.197 11.615 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -9.424 1.239 12.910 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -9.541 0.148 14.295 1.00 0.00 H new ATOM 56 N LEU C 457 -12.106 -2.888 8.400 1.00 0.00 N ATOM 57 CA LEU C 457 -12.857 -3.911 7.679 1.00 0.00 C ATOM 58 C LEU C 457 -12.119 -5.236 7.701 1.00 0.00 C ATOM 59 O LEU C 457 -12.714 -6.289 7.939 1.00 0.00 O ATOM 60 CB LEU C 457 -13.107 -3.488 6.232 1.00 0.00 C ATOM 61 CG LEU C 457 -13.840 -2.162 6.035 1.00 0.00 C ATOM 62 CD1 LEU C 457 -14.175 -1.960 4.580 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.097 -2.106 6.883 1.00 0.00 C ATOM 0 H LEU C 457 -11.826 -2.090 7.830 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.817 -4.030 8.181 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.146 -3.427 5.722 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.681 -4.273 5.739 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.180 -1.356 6.356 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -14.697 -1.011 4.455 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -13.256 -1.949 3.993 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -14.814 -2.774 4.237 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.600 -1.152 6.725 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -15.764 -2.920 6.599 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -14.831 -2.205 7.935 1.00 0.00 H new ATOM 75 N ASN C 458 -10.818 -5.175 7.464 1.00 0.00 N ATOM 76 CA ASN C 458 -9.980 -6.360 7.456 1.00 0.00 C ATOM 77 C ASN C 458 -9.988 -7.037 8.816 1.00 0.00 C ATOM 78 O ASN C 458 -10.079 -8.255 8.909 1.00 0.00 O ATOM 79 CB ASN C 458 -8.549 -6.007 7.047 1.00 0.00 C ATOM 80 CG ASN C 458 -7.637 -7.219 7.010 1.00 0.00 C ATOM 81 OD1 ASN C 458 -7.019 -7.576 8.012 1.00 0.00 O ATOM 82 ND2 ASN C 458 -7.531 -7.847 5.854 1.00 0.00 N ATOM 0 H ASN C 458 -10.317 -4.307 7.273 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.388 -7.056 6.723 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.562 -5.536 6.064 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -8.145 -5.274 7.746 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -6.920 -8.659 5.769 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -8.060 -7.520 5.046 1.00 0.00 H new ATOM 89 N ALA C 459 -9.912 -6.235 9.868 1.00 0.00 N ATOM 90 CA ALA C 459 -9.913 -6.756 11.226 1.00 0.00 C ATOM 91 C ALA C 459 -11.260 -7.395 11.560 1.00 0.00 C ATOM 92 O ALA C 459 -11.315 -8.457 12.191 1.00 0.00 O ATOM 93 CB ALA C 459 -9.586 -5.648 12.217 1.00 0.00 C ATOM 0 H ALA C 459 -9.849 -5.219 9.806 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.145 -7.526 11.300 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.590 -6.052 13.229 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.601 -5.239 11.994 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.333 -4.858 12.139 1.00 0.00 H new ATOM 99 N MET C 460 -12.345 -6.745 11.129 1.00 0.00 N ATOM 100 CA MET C 460 -13.687 -7.265 11.355 1.00 0.00 C ATOM 101 C MET C 460 -13.876 -8.589 10.637 1.00 0.00 C ATOM 102 O MET C 460 -14.316 -9.577 11.232 1.00 0.00 O ATOM 103 CB MET C 460 -14.747 -6.270 10.881 1.00 0.00 C ATOM 104 CG MET C 460 -14.784 -4.969 11.665 1.00 0.00 C ATOM 105 SD MET C 460 -16.377 -4.133 11.539 1.00 0.00 S ATOM 106 CE MET C 460 -16.478 -3.858 9.778 1.00 0.00 C ATOM 0 H MET C 460 -12.315 -5.860 10.623 1.00 0.00 H new ATOM 0 HA MET C 460 -13.805 -7.420 12.427 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.569 -6.042 9.830 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.726 -6.745 10.942 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.567 -5.174 12.713 1.00 0.00 H new ATOM 0 HG3 MET C 460 -13.999 -4.306 11.300 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.505 -3.615 9.506 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.824 -3.031 9.501 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.166 -4.760 9.251 1.00 0.00 H new ATOM 116 N ALA C 461 -13.530 -8.609 9.356 1.00 0.00 N ATOM 117 CA ALA C 461 -13.639 -9.813 8.549 1.00 0.00 C ATOM 118 C ALA C 461 -12.752 -10.909 9.112 1.00 0.00 C ATOM 119 O ALA C 461 -13.090 -12.089 9.049 1.00 0.00 O ATOM 120 CB ALA C 461 -13.258 -9.517 7.111 1.00 0.00 C ATOM 0 H ALA C 461 -13.169 -7.798 8.853 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.673 -10.156 8.574 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.344 -10.427 6.517 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.925 -8.756 6.707 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.230 -9.155 7.074 1.00 0.00 H new ATOM 126 N HIS C 462 -11.623 -10.499 9.677 1.00 0.00 N ATOM 127 CA HIS C 462 -10.673 -11.421 10.272 1.00 0.00 C ATOM 128 C HIS C 462 -11.346 -12.242 11.358 1.00 0.00 C ATOM 129 O HIS C 462 -11.139 -13.442 11.445 1.00 0.00 O ATOM 130 CB HIS C 462 -9.488 -10.654 10.864 1.00 0.00 C ATOM 131 CG HIS C 462 -8.224 -11.450 10.933 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.980 -12.413 11.887 1.00 0.00 N ATOM 133 CD2 HIS C 462 -7.128 -11.417 10.148 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.788 -12.937 11.682 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.250 -12.352 10.633 1.00 0.00 N ATOM 0 H HIS C 462 -11.344 -9.520 9.734 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.309 -12.091 9.493 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.311 -9.760 10.265 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.750 -10.319 11.868 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -6.971 -10.773 9.295 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.330 -13.715 12.275 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -5.330 -12.560 10.244 1.00 0.00 H new ATOM 144 N GLN C 463 -12.172 -11.585 12.171 1.00 0.00 N ATOM 145 CA GLN C 463 -12.865 -12.259 13.271 1.00 0.00 C ATOM 146 C GLN C 463 -13.836 -13.293 12.733 1.00 0.00 C ATOM 147 O GLN C 463 -13.892 -14.418 13.225 1.00 0.00 O ATOM 148 CB GLN C 463 -13.615 -11.250 14.150 1.00 0.00 C ATOM 149 CG GLN C 463 -12.756 -10.106 14.674 1.00 0.00 C ATOM 150 CD GLN C 463 -11.468 -10.584 15.312 1.00 0.00 C ATOM 151 OE1 GLN C 463 -10.410 -10.623 14.530 1.00 0.00 O flip ATOM 152 NE2 GLN C 463 -11.423 -10.886 16.503 1.00 0.00 N flip ATOM 0 H GLN C 463 -12.378 -10.589 12.090 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.113 -12.759 13.882 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -14.443 -10.833 13.576 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.050 -11.779 14.998 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -12.520 -9.429 13.853 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -13.328 -9.534 15.405 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -12.268 -10.841 17.073 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -10.541 -11.181 16.921 1.00 0.00 H new ATOM 161 N ILE C 464 -14.593 -12.909 11.715 1.00 0.00 N ATOM 162 CA ILE C 464 -15.540 -13.820 11.094 1.00 0.00 C ATOM 163 C ILE C 464 -14.805 -15.009 10.493 1.00 0.00 C ATOM 164 O ILE C 464 -15.215 -16.150 10.662 1.00 0.00 O ATOM 165 CB ILE C 464 -16.360 -13.129 9.985 1.00 0.00 C ATOM 166 CG1 ILE C 464 -17.090 -11.897 10.534 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.361 -14.112 9.374 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.753 -11.077 9.455 1.00 0.00 C ATOM 0 H ILE C 464 -14.569 -11.976 11.304 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.225 -14.153 11.874 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.672 -12.799 9.206 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.843 -12.218 11.253 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.380 -11.271 11.074 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.933 -13.611 8.593 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.824 -14.958 8.945 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -18.040 -14.468 10.149 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.253 -10.219 9.905 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -17.000 -10.728 8.748 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.486 -11.690 8.931 1.00 0.00 H new ATOM 180 N GLN C 465 -13.699 -14.726 9.815 1.00 0.00 N ATOM 181 CA GLN C 465 -12.890 -15.759 9.178 1.00 0.00 C ATOM 182 C GLN C 465 -12.338 -16.735 10.215 1.00 0.00 C ATOM 183 O GLN C 465 -12.140 -17.917 9.930 1.00 0.00 O ATOM 184 CB GLN C 465 -11.738 -15.127 8.409 1.00 0.00 C ATOM 185 CG GLN C 465 -11.065 -16.077 7.436 1.00 0.00 C ATOM 186 CD GLN C 465 -11.988 -16.470 6.301 1.00 0.00 C ATOM 187 OE1 GLN C 465 -12.847 -15.697 5.886 1.00 0.00 O ATOM 188 NE2 GLN C 465 -11.823 -17.669 5.796 1.00 0.00 N ATOM 0 H GLN C 465 -13.339 -13.780 9.691 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.529 -16.308 8.486 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -12.110 -14.261 7.861 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.996 -14.761 9.118 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -10.170 -15.606 7.030 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.741 -16.972 7.967 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -11.098 -18.283 6.167 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -12.419 -17.987 5.032 1.00 0.00 H new ATOM 197 N GLU C 466 -12.080 -16.229 11.412 1.00 0.00 N ATOM 198 CA GLU C 466 -11.584 -17.049 12.504 1.00 0.00 C ATOM 199 C GLU C 466 -12.660 -18.024 12.965 1.00 0.00 C ATOM 200 O GLU C 466 -12.365 -19.123 13.430 1.00 0.00 O ATOM 201 CB GLU C 466 -11.141 -16.166 13.671 1.00 0.00 C ATOM 202 CG GLU C 466 -9.919 -15.319 13.373 1.00 0.00 C ATOM 203 CD GLU C 466 -8.723 -16.143 12.967 1.00 0.00 C ATOM 204 OE1 GLU C 466 -7.992 -16.620 13.858 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.500 -16.314 11.750 1.00 0.00 O ATOM 0 H GLU C 466 -12.208 -15.246 11.651 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.725 -17.618 12.148 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -11.966 -15.510 13.951 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -10.930 -16.799 14.533 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.156 -14.614 12.576 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.667 -14.730 14.255 1.00 0.00 H new ATOM 212 N MET C 467 -13.907 -17.614 12.827 1.00 0.00 N ATOM 213 CA MET C 467 -15.025 -18.437 13.220 1.00 0.00 C ATOM 214 C MET C 467 -15.477 -19.328 12.072 1.00 0.00 C ATOM 215 O MET C 467 -15.818 -20.492 12.278 1.00 0.00 O ATOM 216 CB MET C 467 -16.188 -17.565 13.688 1.00 0.00 C ATOM 217 CG MET C 467 -15.874 -16.719 14.909 1.00 0.00 C ATOM 218 SD MET C 467 -17.292 -15.756 15.475 1.00 0.00 S ATOM 219 CE MET C 467 -17.558 -14.682 14.067 1.00 0.00 C ATOM 0 H MET C 467 -14.168 -16.706 12.441 1.00 0.00 H new ATOM 0 HA MET C 467 -14.701 -19.073 14.044 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.488 -16.908 12.871 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.041 -18.205 13.912 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.535 -17.367 15.717 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.051 -16.043 14.676 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.321 -13.943 14.312 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.627 -14.173 13.817 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.888 -15.275 13.214 1.00 0.00 H new ATOM 229 N PHE C 468 -15.464 -18.785 10.866 1.00 0.00 N ATOM 230 CA PHE C 468 -15.917 -19.509 9.690 1.00 0.00 C ATOM 231 C PHE C 468 -14.844 -19.568 8.603 1.00 0.00 C ATOM 232 O PHE C 468 -14.844 -18.759 7.682 1.00 0.00 O ATOM 233 CB PHE C 468 -17.192 -18.873 9.132 1.00 0.00 C ATOM 234 CG PHE C 468 -18.402 -19.109 9.979 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.682 -18.286 11.051 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.256 -20.162 9.706 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.792 -18.505 11.837 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.369 -20.386 10.487 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.638 -19.555 11.555 1.00 0.00 C ATOM 0 H PHE C 468 -15.141 -17.836 10.675 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.128 -20.532 10.002 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -17.036 -17.799 9.028 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.377 -19.267 8.133 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -18.023 -17.461 11.276 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.048 -20.816 8.872 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -19.999 -17.854 12.674 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.030 -21.211 10.263 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.510 -19.727 12.169 1.00 0.00 H new ATOM 249 N PRO C 469 -13.914 -20.531 8.702 1.00 0.00 N ATOM 250 CA PRO C 469 -12.868 -20.728 7.695 1.00 0.00 C ATOM 251 C PRO C 469 -13.425 -21.375 6.424 1.00 0.00 C ATOM 252 O PRO C 469 -12.702 -21.599 5.451 1.00 0.00 O ATOM 253 CB PRO C 469 -11.894 -21.679 8.388 1.00 0.00 C ATOM 254 CG PRO C 469 -12.748 -22.449 9.323 1.00 0.00 C ATOM 255 CD PRO C 469 -13.781 -21.482 9.817 1.00 0.00 C ATOM 0 HA PRO C 469 -12.415 -19.790 7.375 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.397 -22.333 7.671 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -11.113 -21.134 8.918 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -13.214 -23.297 8.820 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -12.161 -22.851 10.149 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.726 -21.980 10.036 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.462 -20.986 10.733 1.00 0.00 H new ATOM 263 N GLN C 470 -14.711 -21.702 6.462 1.00 0.00 N ATOM 264 CA GLN C 470 -15.389 -22.334 5.338 1.00 0.00 C ATOM 265 C GLN C 470 -15.637 -21.358 4.185 1.00 0.00 C ATOM 266 O GLN C 470 -15.926 -21.778 3.064 1.00 0.00 O ATOM 267 CB GLN C 470 -16.715 -22.959 5.788 1.00 0.00 C ATOM 268 CG GLN C 470 -17.667 -21.989 6.471 1.00 0.00 C ATOM 269 CD GLN C 470 -19.029 -22.607 6.731 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.151 -23.822 6.880 1.00 0.00 O ATOM 271 NE2 GLN C 470 -20.056 -21.778 6.803 1.00 0.00 N ATOM 0 H GLN C 470 -15.311 -21.537 7.270 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.726 -23.117 4.970 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -17.214 -23.388 4.919 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.502 -23.781 6.471 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.233 -21.661 7.415 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.786 -21.101 5.850 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.913 -20.776 6.674 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.992 -22.140 6.988 1.00 0.00 H new ATOM 280 N VAL C 471 -15.532 -20.065 4.456 1.00 0.00 N ATOM 281 CA VAL C 471 -15.767 -19.063 3.433 1.00 0.00 C ATOM 282 C VAL C 471 -14.461 -18.377 3.018 1.00 0.00 C ATOM 283 O VAL C 471 -13.454 -18.459 3.727 1.00 0.00 O ATOM 284 CB VAL C 471 -16.787 -17.996 3.899 1.00 0.00 C ATOM 285 CG1 VAL C 471 -18.100 -18.638 4.309 1.00 0.00 C ATOM 286 CG2 VAL C 471 -16.217 -17.155 5.022 1.00 0.00 C ATOM 0 H VAL C 471 -15.287 -19.689 5.372 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.183 -19.586 2.572 1.00 0.00 H new ATOM 0 HB VAL C 471 -16.989 -17.335 3.056 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.798 -17.865 4.632 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.522 -19.177 3.461 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -17.924 -19.334 5.129 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -16.953 -16.413 5.331 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -15.971 -17.796 5.868 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.316 -16.649 4.676 1.00 0.00 H new ATOM 296 N PRO C 472 -14.458 -17.720 1.848 1.00 0.00 N ATOM 297 CA PRO C 472 -13.297 -16.990 1.343 1.00 0.00 C ATOM 298 C PRO C 472 -13.138 -15.635 2.024 1.00 0.00 C ATOM 299 O PRO C 472 -14.123 -14.965 2.347 1.00 0.00 O ATOM 300 CB PRO C 472 -13.607 -16.798 -0.150 1.00 0.00 C ATOM 301 CG PRO C 472 -14.864 -17.566 -0.398 1.00 0.00 C ATOM 302 CD PRO C 472 -15.567 -17.645 0.918 1.00 0.00 C ATOM 0 HA PRO C 472 -12.367 -17.526 1.530 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.737 -15.743 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.792 -17.169 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -15.485 -17.068 -1.142 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -14.643 -18.562 -0.782 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.193 -16.771 1.099 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -16.214 -18.520 0.983 1.00 0.00 H new ATOM 310 N TYR C 473 -11.901 -15.222 2.193 1.00 0.00 N ATOM 311 CA TYR C 473 -11.579 -13.996 2.911 1.00 0.00 C ATOM 312 C TYR C 473 -12.001 -12.741 2.134 1.00 0.00 C ATOM 313 O TYR C 473 -12.538 -11.796 2.718 1.00 0.00 O ATOM 314 CB TYR C 473 -10.080 -13.953 3.209 1.00 0.00 C ATOM 315 CG TYR C 473 -9.706 -13.024 4.340 1.00 0.00 C ATOM 316 CD1 TYR C 473 -10.151 -13.272 5.625 1.00 0.00 C ATOM 317 CD2 TYR C 473 -8.900 -11.915 4.126 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.814 -12.446 6.672 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.551 -11.080 5.176 1.00 0.00 C ATOM 320 CZ TYR C 473 -9.014 -11.354 6.447 1.00 0.00 C ATOM 321 OH TYR C 473 -8.670 -10.534 7.498 1.00 0.00 O ATOM 0 H TYR C 473 -11.086 -15.723 1.839 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.142 -14.001 3.845 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.739 -14.960 3.451 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.549 -13.645 2.308 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -10.777 -14.133 5.811 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -8.541 -11.700 3.130 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -10.178 -12.656 7.667 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -7.921 -10.221 5.001 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.399 -9.902 7.672 1.00 0.00 H new ATOM 331 N HIS C 474 -11.775 -12.739 0.818 1.00 0.00 N ATOM 332 CA HIS C 474 -12.087 -11.552 -0.006 1.00 0.00 C ATOM 333 C HIS C 474 -13.575 -11.260 0.001 1.00 0.00 C ATOM 334 O HIS C 474 -13.989 -10.099 0.005 1.00 0.00 O ATOM 335 CB HIS C 474 -11.651 -11.723 -1.470 1.00 0.00 C ATOM 336 CG HIS C 474 -10.258 -12.220 -1.687 1.00 0.00 C ATOM 337 ND1 HIS C 474 -9.146 -11.683 -1.076 1.00 0.00 N ATOM 338 CD2 HIS C 474 -9.806 -13.217 -2.472 1.00 0.00 C ATOM 339 CE1 HIS C 474 -8.072 -12.332 -1.476 1.00 0.00 C ATOM 340 NE2 HIS C 474 -8.444 -13.269 -2.325 1.00 0.00 N ATOM 0 H HIS C 474 -11.385 -13.527 0.301 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.531 -10.727 0.440 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -12.341 -12.413 -1.955 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -11.755 -10.762 -1.974 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -10.406 -13.857 -3.101 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -7.059 -12.131 -1.162 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -7.821 -13.925 -2.795 1.00 0.00 H new ATOM 349 N LEU C 475 -14.383 -12.311 -0.009 1.00 0.00 N ATOM 350 CA LEU C 475 -15.822 -12.146 -0.068 1.00 0.00 C ATOM 351 C LEU C 475 -16.348 -11.516 1.205 1.00 0.00 C ATOM 352 O LEU C 475 -17.236 -10.665 1.164 1.00 0.00 O ATOM 353 CB LEU C 475 -16.525 -13.475 -0.341 1.00 0.00 C ATOM 354 CG LEU C 475 -16.052 -14.247 -1.578 1.00 0.00 C ATOM 355 CD1 LEU C 475 -17.082 -15.283 -1.982 1.00 0.00 C ATOM 356 CD2 LEU C 475 -15.737 -13.308 -2.742 1.00 0.00 C ATOM 0 H LEU C 475 -14.066 -13.280 0.023 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.041 -11.475 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.399 -14.115 0.532 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.593 -13.283 -0.444 1.00 0.00 H new ATOM 0 HG LEU C 475 -15.127 -14.761 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.730 -15.822 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -17.232 -15.985 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -18.025 -14.788 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -15.405 -13.892 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -16.632 -12.747 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -14.949 -12.615 -2.447 1.00 0.00 H new ATOM 368 N VAL C 476 -15.784 -11.924 2.333 1.00 0.00 N ATOM 369 CA VAL C 476 -16.165 -11.359 3.616 1.00 0.00 C ATOM 370 C VAL C 476 -15.788 -9.878 3.646 1.00 0.00 C ATOM 371 O VAL C 476 -16.600 -9.027 3.987 1.00 0.00 O ATOM 372 CB VAL C 476 -15.475 -12.099 4.789 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.946 -11.553 6.125 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.742 -13.592 4.707 1.00 0.00 C ATOM 0 H VAL C 476 -15.062 -12.643 2.384 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.242 -11.474 3.736 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.401 -11.931 4.710 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.447 -12.088 6.933 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.705 -10.492 6.190 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -17.024 -11.686 6.213 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -15.250 -14.096 5.539 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.816 -13.773 4.757 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -15.352 -13.980 3.766 1.00 0.00 H new ATOM 384 N LEU C 477 -14.553 -9.591 3.242 1.00 0.00 N ATOM 385 CA LEU C 477 -14.046 -8.221 3.153 1.00 0.00 C ATOM 386 C LEU C 477 -14.960 -7.360 2.287 1.00 0.00 C ATOM 387 O LEU C 477 -15.241 -6.205 2.616 1.00 0.00 O ATOM 388 CB LEU C 477 -12.635 -8.243 2.553 1.00 0.00 C ATOM 389 CG LEU C 477 -11.531 -8.795 3.451 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.235 -8.923 2.677 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.328 -7.901 4.658 1.00 0.00 C ATOM 0 H LEU C 477 -13.874 -10.301 2.967 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.018 -7.791 4.154 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -12.661 -8.835 1.638 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.368 -7.226 2.267 1.00 0.00 H new ATOM 0 HG LEU C 477 -11.834 -9.783 3.796 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.458 -9.318 3.331 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.379 -9.600 1.835 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -9.934 -7.943 2.307 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.537 -8.311 5.286 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.047 -6.901 4.327 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.254 -7.847 5.230 1.00 0.00 H new ATOM 403 N GLN C 478 -15.415 -7.930 1.184 1.00 0.00 N ATOM 404 CA GLN C 478 -16.311 -7.251 0.275 1.00 0.00 C ATOM 405 C GLN C 478 -17.631 -6.930 0.965 1.00 0.00 C ATOM 406 O GLN C 478 -18.083 -5.786 0.958 1.00 0.00 O ATOM 407 CB GLN C 478 -16.573 -8.127 -0.948 1.00 0.00 C ATOM 408 CG GLN C 478 -17.529 -7.510 -1.950 1.00 0.00 C ATOM 409 CD GLN C 478 -17.921 -8.464 -3.068 1.00 0.00 C ATOM 410 OE1 GLN C 478 -17.972 -9.750 -2.766 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -18.191 -8.040 -4.195 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.171 -8.878 0.897 1.00 0.00 H new ATOM 0 HA GLN C 478 -15.843 -6.318 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -15.625 -8.334 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -16.976 -9.084 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -18.428 -7.181 -1.430 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -17.068 -6.622 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -18.140 -7.040 -4.389 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -18.465 -8.690 -4.932 1.00 0.00 H new ATOM 420 N ASP C 479 -18.229 -7.942 1.585 1.00 0.00 N ATOM 421 CA ASP C 479 -19.531 -7.788 2.234 1.00 0.00 C ATOM 422 C ASP C 479 -19.483 -6.776 3.364 1.00 0.00 C ATOM 423 O ASP C 479 -20.476 -6.142 3.675 1.00 0.00 O ATOM 424 CB ASP C 479 -20.046 -9.117 2.760 1.00 0.00 C ATOM 425 CG ASP C 479 -21.457 -8.994 3.302 1.00 0.00 C ATOM 426 OD1 ASP C 479 -22.401 -8.935 2.487 1.00 0.00 O ATOM 427 OD2 ASP C 479 -21.626 -8.954 4.539 1.00 0.00 O ATOM 0 H ASP C 479 -17.834 -8.880 1.653 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.217 -7.419 1.472 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.026 -9.858 1.961 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.384 -9.479 3.547 1.00 0.00 H new ATOM 432 N LEU C 480 -18.327 -6.612 3.959 1.00 0.00 N ATOM 433 CA LEU C 480 -18.168 -5.658 5.040 1.00 0.00 C ATOM 434 C LEU C 480 -18.347 -4.212 4.564 1.00 0.00 C ATOM 435 O LEU C 480 -18.524 -3.308 5.367 1.00 0.00 O ATOM 436 CB LEU C 480 -16.842 -5.859 5.783 1.00 0.00 C ATOM 437 CG LEU C 480 -16.934 -6.640 7.103 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.097 -6.151 7.950 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.081 -8.105 6.836 1.00 0.00 C ATOM 0 H LEU C 480 -17.479 -7.125 3.716 1.00 0.00 H new ATOM 0 HA LEU C 480 -18.967 -5.852 5.755 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.150 -6.379 5.121 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.410 -4.880 5.990 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.010 -6.469 7.655 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.137 -6.722 8.878 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -17.961 -5.094 8.180 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.029 -6.285 7.401 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.145 -8.643 7.782 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -17.988 -8.280 6.257 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.218 -8.461 6.274 1.00 0.00 H new ATOM 451 N GLN C 481 -18.282 -4.002 3.255 1.00 0.00 N ATOM 452 CA GLN C 481 -18.592 -2.701 2.678 1.00 0.00 C ATOM 453 C GLN C 481 -20.078 -2.634 2.345 1.00 0.00 C ATOM 454 O GLN C 481 -20.675 -1.559 2.293 1.00 0.00 O ATOM 455 CB GLN C 481 -17.777 -2.465 1.414 1.00 0.00 C ATOM 456 CG GLN C 481 -16.485 -1.711 1.639 1.00 0.00 C ATOM 457 CD GLN C 481 -16.713 -0.266 2.076 1.00 0.00 C ATOM 458 OE1 GLN C 481 -15.751 0.296 2.777 1.00 0.00 O flip ATOM 459 NE2 GLN C 481 -17.734 0.345 1.753 1.00 0.00 N flip ATOM 0 H GLN C 481 -18.018 -4.715 2.575 1.00 0.00 H new ATOM 0 HA GLN C 481 -18.340 -1.928 3.404 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.547 -3.428 0.958 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -18.387 -1.912 0.700 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.896 -2.227 2.397 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.899 -1.720 0.720 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -18.458 -0.124 1.209 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -17.854 1.319 2.030 1.00 0.00 H new ATOM 468 N LEU C 482 -20.655 -3.801 2.121 1.00 0.00 N ATOM 469 CA LEU C 482 -22.050 -3.945 1.765 1.00 0.00 C ATOM 470 C LEU C 482 -22.953 -3.871 2.991 1.00 0.00 C ATOM 471 O LEU C 482 -23.905 -3.090 3.028 1.00 0.00 O ATOM 472 CB LEU C 482 -22.256 -5.281 1.065 1.00 0.00 C ATOM 473 CG LEU C 482 -21.914 -5.334 -0.430 1.00 0.00 C ATOM 474 CD1 LEU C 482 -20.496 -4.863 -0.706 1.00 0.00 C ATOM 475 CD2 LEU C 482 -22.101 -6.736 -0.941 1.00 0.00 C ATOM 0 H LEU C 482 -20.156 -4.689 2.183 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.316 -3.123 1.100 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -21.655 -6.031 1.579 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.300 -5.572 1.186 1.00 0.00 H new ATOM 0 HG LEU C 482 -22.590 -4.656 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -20.296 -4.917 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -20.382 -3.833 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -19.791 -5.500 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -21.858 -6.772 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -21.444 -7.413 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -23.137 -7.041 -0.796 1.00 0.00 H new ATOM 487 N THR C 483 -22.656 -4.690 3.989 1.00 0.00 N ATOM 488 CA THR C 483 -23.460 -4.742 5.187 1.00 0.00 C ATOM 489 C THR C 483 -22.834 -3.909 6.289 1.00 0.00 C ATOM 490 O THR C 483 -23.542 -3.286 7.083 1.00 0.00 O ATOM 491 CB THR C 483 -23.621 -6.190 5.679 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.331 -6.771 5.873 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.405 -7.018 4.678 1.00 0.00 C ATOM 0 H THR C 483 -21.860 -5.327 3.986 1.00 0.00 H new ATOM 0 HA THR C 483 -24.442 -4.337 4.941 1.00 0.00 H new ATOM 0 HB THR C 483 -24.169 -6.178 6.621 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.133 -7.383 5.134 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.505 -8.038 5.049 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.395 -6.583 4.542 1.00 0.00 H new ATOM 0 HG23 THR C 483 -23.879 -7.029 3.723 1.00 0.00 H new ATOM 501 N ARG C 484 -21.490 -3.902 6.329 1.00 0.00 N ATOM 502 CA ARG C 484 -20.729 -3.169 7.334 1.00 0.00 C ATOM 503 C ARG C 484 -21.043 -3.673 8.739 1.00 0.00 C ATOM 504 O ARG C 484 -20.786 -2.990 9.729 1.00 0.00 O ATOM 505 CB ARG C 484 -21.012 -1.681 7.222 1.00 0.00 C ATOM 506 CG ARG C 484 -20.748 -1.126 5.844 1.00 0.00 C ATOM 507 CD ARG C 484 -21.244 0.289 5.717 1.00 0.00 C ATOM 508 NE ARG C 484 -22.681 0.392 5.988 1.00 0.00 N ATOM 509 CZ ARG C 484 -23.599 0.778 5.095 1.00 0.00 C ATOM 510 NH1 ARG C 484 -23.242 1.087 3.852 1.00 0.00 N ATOM 511 NH2 ARG C 484 -24.878 0.847 5.448 1.00 0.00 N ATOM 0 H ARG C 484 -20.908 -4.408 5.661 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.668 -3.339 7.150 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -22.053 -1.495 7.488 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -20.397 -1.146 7.946 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.679 -1.158 5.636 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -21.237 -1.753 5.098 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -20.697 0.929 6.410 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -21.037 0.657 4.712 1.00 0.00 H new ATOM 0 HE ARG C 484 -23.004 0.152 6.925 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -22.262 1.030 3.574 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -23.948 1.381 3.177 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -25.158 0.606 6.399 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -25.579 1.141 4.768 1.00 0.00 H new ATOM 525 N SER C 485 -21.575 -4.877 8.815 1.00 0.00 N ATOM 526 CA SER C 485 -21.952 -5.463 10.075 1.00 0.00 C ATOM 527 C SER C 485 -21.531 -6.914 10.108 1.00 0.00 C ATOM 528 O SER C 485 -22.148 -7.744 9.452 1.00 0.00 O ATOM 529 CB SER C 485 -23.470 -5.363 10.264 1.00 0.00 C ATOM 530 OG SER C 485 -23.853 -5.673 11.597 1.00 0.00 O ATOM 0 H SER C 485 -21.755 -5.470 8.005 1.00 0.00 H new ATOM 0 HA SER C 485 -21.455 -4.924 10.882 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.803 -4.355 10.014 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.969 -6.044 9.574 1.00 0.00 H new ATOM 0 HG SER C 485 -24.826 -5.598 11.684 1.00 0.00 H new ATOM 536 N VAL C 486 -20.478 -7.228 10.873 1.00 0.00 N ATOM 537 CA VAL C 486 -19.989 -8.599 10.959 1.00 0.00 C ATOM 538 C VAL C 486 -21.087 -9.546 11.422 1.00 0.00 C ATOM 539 O VAL C 486 -21.095 -10.721 11.062 1.00 0.00 O ATOM 540 CB VAL C 486 -18.755 -8.740 11.882 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.675 -7.769 11.485 1.00 0.00 C ATOM 542 CG2 VAL C 486 -19.115 -8.580 13.347 1.00 0.00 C ATOM 0 H VAL C 486 -19.956 -6.555 11.434 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.678 -8.871 9.950 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.373 -9.753 11.755 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.818 -7.887 12.148 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.369 -7.966 10.458 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -18.055 -6.750 11.562 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -18.217 -8.687 13.956 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.548 -7.593 13.509 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.838 -9.345 13.630 1.00 0.00 H new ATOM 552 N GLU C 487 -22.022 -9.019 12.209 1.00 0.00 N ATOM 553 CA GLU C 487 -23.151 -9.793 12.676 1.00 0.00 C ATOM 554 C GLU C 487 -23.954 -10.294 11.487 1.00 0.00 C ATOM 555 O GLU C 487 -24.283 -11.479 11.402 1.00 0.00 O ATOM 556 CB GLU C 487 -24.028 -8.945 13.598 1.00 0.00 C ATOM 557 CG GLU C 487 -23.305 -8.449 14.839 1.00 0.00 C ATOM 558 CD GLU C 487 -24.173 -7.568 15.706 1.00 0.00 C ATOM 559 OE1 GLU C 487 -24.952 -8.104 16.517 1.00 0.00 O ATOM 560 OE2 GLU C 487 -24.079 -6.327 15.584 1.00 0.00 O ATOM 0 H GLU C 487 -22.012 -8.052 12.534 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.788 -10.651 13.243 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.404 -8.088 13.040 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.894 -9.532 13.903 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -22.965 -9.304 15.423 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -22.416 -7.894 14.539 1.00 0.00 H new ATOM 567 N ILE C 488 -24.236 -9.393 10.552 1.00 0.00 N ATOM 568 CA ILE C 488 -24.957 -9.753 9.346 1.00 0.00 C ATOM 569 C ILE C 488 -24.060 -10.556 8.437 1.00 0.00 C ATOM 570 O ILE C 488 -24.467 -11.547 7.906 1.00 0.00 O ATOM 571 CB ILE C 488 -25.454 -8.517 8.567 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.322 -7.626 9.459 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.220 -8.950 7.318 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.780 -6.348 8.781 1.00 0.00 C ATOM 0 H ILE C 488 -23.974 -8.409 10.610 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.824 -10.335 9.657 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.588 -7.934 8.254 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -27.197 -8.191 9.780 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.761 -7.369 10.358 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.565 -8.068 6.778 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.564 -9.536 6.674 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.078 -9.555 7.609 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -27.390 -5.768 9.473 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.910 -5.762 8.484 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.369 -6.596 7.898 1.00 0.00 H new ATOM 586 N THR C 489 -22.830 -10.113 8.283 1.00 0.00 N ATOM 587 CA THR C 489 -21.857 -10.781 7.428 1.00 0.00 C ATOM 588 C THR C 489 -21.644 -12.251 7.830 1.00 0.00 C ATOM 589 O THR C 489 -21.226 -13.059 7.026 1.00 0.00 O ATOM 590 CB THR C 489 -20.512 -10.033 7.443 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.739 -8.645 7.197 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.562 -10.569 6.383 1.00 0.00 C ATOM 0 H THR C 489 -22.471 -9.278 8.746 1.00 0.00 H new ATOM 0 HA THR C 489 -22.263 -10.768 6.417 1.00 0.00 H new ATOM 0 HB THR C 489 -20.057 -10.182 8.422 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.213 -8.537 6.346 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.623 -10.017 6.423 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.370 -11.626 6.568 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.011 -10.449 5.397 1.00 0.00 H new ATOM 600 N THR C 490 -21.928 -12.584 9.071 1.00 0.00 N ATOM 601 CA THR C 490 -21.820 -13.957 9.507 1.00 0.00 C ATOM 602 C THR C 490 -23.171 -14.651 9.357 1.00 0.00 C ATOM 603 O THR C 490 -23.254 -15.817 8.960 1.00 0.00 O ATOM 604 CB THR C 490 -21.356 -14.044 10.970 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.186 -13.232 11.159 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.033 -15.478 11.332 1.00 0.00 C ATOM 0 H THR C 490 -22.233 -11.928 9.790 1.00 0.00 H new ATOM 0 HA THR C 490 -21.076 -14.453 8.884 1.00 0.00 H new ATOM 0 HB THR C 490 -22.159 -13.684 11.613 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.456 -12.314 11.373 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.706 -15.526 12.371 1.00 0.00 H new ATOM 0 HG22 THR C 490 -21.922 -16.095 11.203 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.238 -15.847 10.684 1.00 0.00 H new ATOM 614 N ASP C 491 -24.226 -13.908 9.644 1.00 0.00 N ATOM 615 CA ASP C 491 -25.589 -14.425 9.561 1.00 0.00 C ATOM 616 C ASP C 491 -26.000 -14.629 8.112 1.00 0.00 C ATOM 617 O ASP C 491 -26.686 -15.595 7.780 1.00 0.00 O ATOM 618 CB ASP C 491 -26.555 -13.460 10.248 1.00 0.00 C ATOM 619 CG ASP C 491 -27.992 -13.925 10.195 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.352 -14.842 10.961 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.769 -13.370 9.394 1.00 0.00 O ATOM 0 H ASP C 491 -24.167 -12.934 9.940 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.624 -15.390 10.068 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.257 -13.336 11.289 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.478 -12.480 9.776 1.00 0.00 H new ATOM 626 N ASN C 492 -25.560 -13.721 7.248 1.00 0.00 N ATOM 627 CA ASN C 492 -25.862 -13.794 5.837 1.00 0.00 C ATOM 628 C ASN C 492 -25.266 -15.073 5.236 1.00 0.00 C ATOM 629 O ASN C 492 -25.849 -15.688 4.344 1.00 0.00 O ATOM 630 CB ASN C 492 -25.424 -12.494 5.068 1.00 0.00 C ATOM 631 CG ASN C 492 -23.944 -12.237 4.969 1.00 0.00 C ATOM 632 OD1 ASN C 492 -23.134 -13.131 5.041 1.00 0.00 O ATOM 633 ND2 ASN C 492 -23.605 -10.976 4.770 1.00 0.00 N ATOM 0 H ASN C 492 -24.987 -12.920 7.512 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.944 -13.847 5.719 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -25.830 -12.543 4.058 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -25.887 -11.637 5.557 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -22.622 -10.722 4.670 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.326 -10.256 4.717 1.00 0.00 H new ATOM 640 N ILE C 493 -24.117 -15.484 5.764 1.00 0.00 N ATOM 641 CA ILE C 493 -23.481 -16.731 5.361 1.00 0.00 C ATOM 642 C ILE C 493 -24.367 -17.900 5.760 1.00 0.00 C ATOM 643 O ILE C 493 -24.677 -18.774 4.951 1.00 0.00 O ATOM 644 CB ILE C 493 -22.114 -16.932 6.066 1.00 0.00 C ATOM 645 CG1 ILE C 493 -21.153 -15.797 5.759 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.495 -18.262 5.668 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.875 -15.860 6.582 1.00 0.00 C ATOM 0 H ILE C 493 -23.605 -14.966 6.478 1.00 0.00 H new ATOM 0 HA ILE C 493 -23.331 -16.685 4.282 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.300 -16.934 7.140 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.898 -15.821 4.700 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.652 -14.846 5.945 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.537 -18.383 6.173 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -22.162 -19.074 5.956 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -21.341 -18.283 4.589 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -19.230 -15.022 6.317 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.122 -15.806 7.642 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.356 -16.797 6.377 1.00 0.00 H new ATOM 659 N LEU C 494 -24.781 -17.879 7.015 1.00 0.00 N ATOM 660 CA LEU C 494 -25.596 -18.926 7.608 1.00 0.00 C ATOM 661 C LEU C 494 -26.930 -19.105 6.881 1.00 0.00 C ATOM 662 O LEU C 494 -27.465 -20.211 6.819 1.00 0.00 O ATOM 663 CB LEU C 494 -25.801 -18.621 9.090 1.00 0.00 C ATOM 664 CG LEU C 494 -24.522 -18.665 9.930 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.761 -18.114 11.319 1.00 0.00 C ATOM 666 CD2 LEU C 494 -23.983 -20.084 10.008 1.00 0.00 C ATOM 0 H LEU C 494 -24.557 -17.122 7.661 1.00 0.00 H new ATOM 0 HA LEU C 494 -25.070 -19.875 7.505 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.250 -17.632 9.186 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.515 -19.336 9.500 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.779 -18.036 9.441 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.835 -18.158 11.892 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -25.094 -17.079 11.247 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.526 -18.708 11.819 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.074 -20.095 10.609 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.730 -20.732 10.467 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.759 -20.444 9.004 1.00 0.00 H new ATOM 678 N GLU C 495 -27.455 -18.024 6.320 1.00 0.00 N ATOM 679 CA GLU C 495 -28.699 -18.096 5.551 1.00 0.00 C ATOM 680 C GLU C 495 -28.458 -18.782 4.208 1.00 0.00 C ATOM 681 O GLU C 495 -29.395 -19.237 3.552 1.00 0.00 O ATOM 682 CB GLU C 495 -29.263 -16.702 5.298 1.00 0.00 C ATOM 683 CG GLU C 495 -29.587 -15.918 6.549 1.00 0.00 C ATOM 684 CD GLU C 495 -30.154 -14.560 6.227 1.00 0.00 C ATOM 685 OE1 GLU C 495 -29.511 -13.808 5.468 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.253 -14.235 6.710 1.00 0.00 O ATOM 0 H GLU C 495 -27.046 -17.092 6.380 1.00 0.00 H new ATOM 0 HA GLU C 495 -29.415 -18.674 6.135 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.544 -16.135 4.706 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -30.168 -16.794 4.698 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -30.302 -16.477 7.153 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -28.685 -15.802 7.149 1.00 0.00 H new ATOM 693 N GLY C 496 -27.197 -18.854 3.812 1.00 0.00 N ATOM 694 CA GLY C 496 -26.849 -19.437 2.536 1.00 0.00 C ATOM 695 C GLY C 496 -26.767 -18.387 1.454 1.00 0.00 C ATOM 696 O GLY C 496 -26.794 -18.700 0.263 1.00 0.00 O ATOM 0 H GLY C 496 -26.404 -18.516 4.357 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.892 -19.952 2.619 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.592 -20.186 2.262 1.00 0.00 H new ATOM 700 N ARG C 497 -26.674 -17.138 1.879 1.00 0.00 N ATOM 701 CA ARG C 497 -26.589 -16.007 0.971 1.00 0.00 C ATOM 702 C ARG C 497 -25.213 -15.975 0.317 1.00 0.00 C ATOM 703 O ARG C 497 -25.073 -15.644 -0.858 1.00 0.00 O ATOM 704 CB ARG C 497 -26.857 -14.715 1.768 1.00 0.00 C ATOM 705 CG ARG C 497 -26.934 -13.421 0.958 1.00 0.00 C ATOM 706 CD ARG C 497 -25.558 -12.873 0.636 1.00 0.00 C ATOM 707 NE ARG C 497 -25.609 -11.508 0.123 1.00 0.00 N ATOM 708 CZ ARG C 497 -24.827 -10.519 0.566 1.00 0.00 C ATOM 709 NH1 ARG C 497 -23.931 -10.757 1.513 1.00 0.00 N ATOM 710 NH2 ARG C 497 -24.941 -9.297 0.061 1.00 0.00 N ATOM 0 H ARG C 497 -26.655 -16.880 2.866 1.00 0.00 H new ATOM 0 HA ARG C 497 -27.333 -16.097 0.180 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -27.795 -14.836 2.309 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -26.070 -14.605 2.515 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -27.478 -13.605 0.031 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -27.500 -12.676 1.517 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -24.941 -12.898 1.534 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -25.076 -13.517 -0.100 1.00 0.00 H new ATOM 0 HE ARG C 497 -26.280 -11.297 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -23.838 -11.695 1.903 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -23.334 -10.002 1.851 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -25.628 -9.109 -0.669 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -24.342 -8.546 0.403 1.00 0.00 H new ATOM 724 N ILE C 498 -24.203 -16.330 1.084 1.00 0.00 N ATOM 725 CA ILE C 498 -22.846 -16.348 0.585 1.00 0.00 C ATOM 726 C ILE C 498 -22.367 -17.776 0.428 1.00 0.00 C ATOM 727 O ILE C 498 -22.087 -18.464 1.412 1.00 0.00 O ATOM 728 CB ILE C 498 -21.884 -15.557 1.507 1.00 0.00 C ATOM 729 CG1 ILE C 498 -22.355 -14.104 1.609 1.00 0.00 C ATOM 730 CG2 ILE C 498 -20.455 -15.625 0.976 1.00 0.00 C ATOM 731 CD1 ILE C 498 -21.554 -13.251 2.565 1.00 0.00 C ATOM 0 H ILE C 498 -24.298 -16.611 2.060 1.00 0.00 H new ATOM 0 HA ILE C 498 -22.844 -15.859 -0.389 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.893 -16.004 2.501 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -22.315 -13.652 0.618 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -23.399 -14.095 1.922 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -19.794 -15.064 1.637 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -20.131 -16.665 0.936 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -20.418 -15.195 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -21.957 -12.238 2.574 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -21.614 -13.674 3.568 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -20.513 -13.224 2.244 1.00 0.00 H new