USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 471 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: A 5 TYR OH : rot 180:sc= -3.5! USER MOD Set 1.2: A 39 GLN : amide:sc= -6.87! C(o=-10!,f=-27!) USER MOD Set 2.1: A 1 ALA N :NH3+ -114:sc= -3.86! (180deg=0) USER MOD Set 2.2: A 52 GLN :FLIP amide:sc= -3.85! C(o=-14!,f=-7.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.5) USER MOD Single : A 11 ASN : amide:sc= -4.18! C(o=-4.2!,f=-5.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.193 K(o=-0.19,f=-5.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.605 K(o=-0.61,f=-2.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.964 F(o=-1.9,f=-0.96) USER MOD Single : A 35 SER OG : rot -23:sc= 0.295 USER MOD Single : A 37 TYR OH : rot -103:sc= 0.775 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0459 USER MOD Single : A 46 ASN : amide:sc= -1.89 K(o=-1.9,f=-2.7!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0956 F(o=-1.1,f=-0.096) USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= -0.403 (180deg=-1.78!) USER MOD Single : A 66 HIS :FLIP no HE2:sc= -3.88! C(o=-4.6!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.008 -0.658 0.819 1.00 0.00 N ATOM 2 CA ALA A 1 3.206 -0.322 -0.350 1.00 0.00 C ATOM 3 C ALA A 1 3.077 -1.517 -1.289 1.00 0.00 C ATOM 4 O ALA A 1 3.370 -2.651 -0.909 1.00 0.00 O ATOM 5 CB ALA A 1 3.813 0.864 -1.084 1.00 0.00 C ATOM 0 H1 ALA A 1 3.411 -0.628 1.670 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.402 -1.614 0.706 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.784 0.028 0.916 1.00 0.00 H new ATOM 0 HA ALA A 1 2.207 -0.051 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.203 1.104 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.848 1.726 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.824 0.614 -1.406 1.00 0.00 H new ATOM 11 N ARG A 2 2.637 -1.256 -2.515 1.00 0.00 N ATOM 12 CA ARG A 2 2.468 -2.311 -3.507 1.00 0.00 C ATOM 13 C ARG A 2 3.742 -2.494 -4.328 1.00 0.00 C ATOM 14 O ARG A 2 4.761 -1.859 -4.061 1.00 0.00 O ATOM 15 CB ARG A 2 1.295 -1.986 -4.433 1.00 0.00 C ATOM 16 CG ARG A 2 1.690 -1.174 -5.656 1.00 0.00 C ATOM 17 CD ARG A 2 0.543 -0.301 -6.139 1.00 0.00 C ATOM 18 NE ARG A 2 -0.526 -1.088 -6.749 1.00 0.00 N ATOM 19 CZ ARG A 2 -0.407 -1.708 -7.917 1.00 0.00 C ATOM 20 NH1 ARG A 2 0.728 -1.633 -8.599 1.00 0.00 N ATOM 21 NH2 ARG A 2 -1.424 -2.406 -8.406 1.00 0.00 N ATOM 0 H ARG A 2 2.391 -0.323 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 2 2.259 -3.242 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.832 -2.917 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.541 -1.436 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.549 -0.548 -5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.999 -1.846 -6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.141 0.267 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.918 0.423 -6.863 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.412 -1.165 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.512 -1.098 -8.226 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.816 -2.110 -9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.298 -2.467 -7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.331 -2.882 -9.303 1.00 0.00 H new ATOM 35 N ASP A 3 3.675 -3.368 -5.327 1.00 0.00 N ATOM 36 CA ASP A 3 4.821 -3.635 -6.187 1.00 0.00 C ATOM 37 C ASP A 3 4.373 -3.922 -7.617 1.00 0.00 C ATOM 38 O ASP A 3 3.603 -4.850 -7.862 1.00 0.00 O ATOM 39 CB ASP A 3 5.628 -4.816 -5.646 1.00 0.00 C ATOM 40 CG ASP A 3 5.626 -4.872 -4.131 1.00 0.00 C ATOM 41 OD1 ASP A 3 6.077 -3.893 -3.500 1.00 0.00 O ATOM 42 OD2 ASP A 3 5.173 -5.895 -3.576 1.00 0.00 O ATOM 0 H ASP A 3 2.839 -3.903 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 3 5.452 -2.746 -6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.217 -5.745 -6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.655 -4.744 -6.003 1.00 0.00 H new ATOM 47 N ALA A 4 4.860 -3.118 -8.557 1.00 0.00 N ATOM 48 CA ALA A 4 4.510 -3.286 -9.962 1.00 0.00 C ATOM 49 C ALA A 4 5.314 -2.337 -10.845 1.00 0.00 C ATOM 50 O ALA A 4 6.231 -1.664 -10.375 1.00 0.00 O ATOM 51 CB ALA A 4 3.019 -3.063 -10.165 1.00 0.00 C ATOM 0 H ALA A 4 5.498 -2.344 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 4 4.756 -4.307 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.772 -3.192 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.459 -3.785 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.756 -2.053 -9.852 1.00 0.00 H new ATOM 57 N TYR A 5 4.964 -2.290 -12.125 1.00 0.00 N ATOM 58 CA TYR A 5 5.655 -1.425 -13.075 1.00 0.00 C ATOM 59 C TYR A 5 5.086 -0.010 -13.037 1.00 0.00 C ATOM 60 O TYR A 5 3.872 0.181 -12.972 1.00 0.00 O ATOM 61 CB TYR A 5 5.542 -1.994 -14.490 1.00 0.00 C ATOM 62 CG TYR A 5 6.210 -3.341 -14.656 1.00 0.00 C ATOM 63 CD1 TYR A 5 7.588 -3.474 -14.538 1.00 0.00 C ATOM 64 CD2 TYR A 5 5.463 -4.479 -14.932 1.00 0.00 C ATOM 65 CE1 TYR A 5 8.202 -4.702 -14.690 1.00 0.00 C ATOM 66 CE2 TYR A 5 6.069 -5.712 -15.083 1.00 0.00 C ATOM 67 CZ TYR A 5 7.438 -5.818 -14.962 1.00 0.00 C ATOM 68 OH TYR A 5 8.046 -7.043 -15.114 1.00 0.00 O ATOM 0 H TYR A 5 4.206 -2.840 -12.529 1.00 0.00 H new ATOM 0 HA TYR A 5 6.706 -1.382 -12.790 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.488 -2.086 -14.753 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.986 -1.289 -15.193 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.189 -2.603 -14.324 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.390 -4.399 -15.030 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.274 -4.788 -14.596 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.473 -6.588 -15.295 1.00 0.00 H new ATOM 0 HH TYR A 5 7.367 -7.724 -15.301 1.00 0.00 H new ATOM 78 N ILE A 6 5.974 0.978 -13.078 1.00 0.00 N ATOM 79 CA ILE A 6 5.562 2.376 -13.050 1.00 0.00 C ATOM 80 C ILE A 6 4.992 2.808 -14.397 1.00 0.00 C ATOM 81 O ILE A 6 5.463 2.377 -15.449 1.00 0.00 O ATOM 82 CB ILE A 6 6.736 3.302 -12.681 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.336 4.767 -12.866 1.00 0.00 C ATOM 84 CG2 ILE A 6 7.958 2.970 -13.525 1.00 0.00 C ATOM 85 CD1 ILE A 6 7.268 5.739 -12.176 1.00 0.00 C ATOM 0 H ILE A 6 6.983 0.836 -13.131 1.00 0.00 H new ATOM 0 HA ILE A 6 4.789 2.462 -12.286 1.00 0.00 H new ATOM 0 HB ILE A 6 6.989 3.144 -11.633 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.309 4.996 -13.931 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.326 4.911 -12.483 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.779 3.633 -13.253 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.252 1.936 -13.348 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.719 3.103 -14.580 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.924 6.759 -12.349 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.277 5.536 -11.105 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.275 5.623 -12.576 1.00 0.00 H new ATOM 97 N ALA A 7 3.977 3.665 -14.357 1.00 0.00 N ATOM 98 CA ALA A 7 3.346 4.159 -15.574 1.00 0.00 C ATOM 99 C ALA A 7 4.105 5.354 -16.140 1.00 0.00 C ATOM 100 O ALA A 7 4.937 5.954 -15.459 1.00 0.00 O ATOM 101 CB ALA A 7 1.896 4.533 -15.302 1.00 0.00 C ATOM 0 H ALA A 7 3.574 4.031 -13.494 1.00 0.00 H new ATOM 0 HA ALA A 7 3.371 3.361 -16.316 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.437 4.900 -16.220 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.354 3.655 -14.951 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.858 5.312 -14.540 1.00 0.00 H new ATOM 107 N LYS A 8 3.815 5.695 -17.391 1.00 0.00 N ATOM 108 CA LYS A 8 4.470 6.818 -18.050 1.00 0.00 C ATOM 109 C LYS A 8 3.509 7.529 -18.997 1.00 0.00 C ATOM 110 O LYS A 8 2.445 7.014 -19.342 1.00 0.00 O ATOM 111 CB LYS A 8 5.701 6.337 -18.822 1.00 0.00 C ATOM 112 CG LYS A 8 5.502 6.309 -20.328 1.00 0.00 C ATOM 113 CD LYS A 8 6.796 5.985 -21.056 1.00 0.00 C ATOM 114 CE LYS A 8 7.400 7.225 -21.696 1.00 0.00 C ATOM 115 NZ LYS A 8 8.649 6.910 -22.444 1.00 0.00 N ATOM 0 H LYS A 8 3.130 5.209 -17.969 1.00 0.00 H new ATOM 0 HA LYS A 8 4.784 7.524 -17.281 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.544 6.987 -18.587 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.966 5.336 -18.480 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.745 5.567 -20.582 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.127 7.275 -20.664 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.510 5.551 -20.356 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.605 5.234 -21.823 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.674 7.674 -22.374 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.615 7.964 -20.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.030 7.781 -22.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.351 6.505 -21.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.439 6.224 -23.197 1.00 0.00 H new ATOM 129 N PRO A 9 3.890 8.740 -19.430 1.00 0.00 N ATOM 130 CA PRO A 9 3.076 9.546 -20.345 1.00 0.00 C ATOM 131 C PRO A 9 3.023 8.953 -21.749 1.00 0.00 C ATOM 132 O PRO A 9 3.993 9.031 -22.503 1.00 0.00 O ATOM 133 CB PRO A 9 3.795 10.898 -20.362 1.00 0.00 C ATOM 134 CG PRO A 9 5.207 10.580 -20.009 1.00 0.00 C ATOM 135 CD PRO A 9 5.145 9.416 -19.060 1.00 0.00 C ATOM 0 HA PRO A 9 2.037 9.605 -20.022 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.729 11.370 -21.342 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.354 11.590 -19.645 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.784 10.328 -20.899 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.695 11.437 -19.544 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.006 8.757 -19.176 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.133 9.745 -18.021 1.00 0.00 H new ATOM 143 N HIS A 10 1.884 8.362 -22.094 1.00 0.00 N ATOM 144 CA HIS A 10 0.753 8.286 -21.175 1.00 0.00 C ATOM 145 C HIS A 10 0.182 6.872 -21.131 1.00 0.00 C ATOM 146 O HIS A 10 -0.218 6.322 -22.156 1.00 0.00 O ATOM 147 CB HIS A 10 -0.336 9.275 -21.591 1.00 0.00 C ATOM 148 CG HIS A 10 -0.196 10.623 -20.954 1.00 0.00 C ATOM 149 ND1 HIS A 10 -0.874 10.989 -19.810 1.00 0.00 N ATOM 150 CD2 HIS A 10 0.551 11.696 -21.306 1.00 0.00 C ATOM 151 CE1 HIS A 10 -0.552 12.228 -19.487 1.00 0.00 C ATOM 152 NE2 HIS A 10 0.312 12.680 -20.378 1.00 0.00 N ATOM 0 H HIS A 10 1.719 7.929 -23.003 1.00 0.00 H new ATOM 0 HA HIS A 10 1.109 8.546 -20.178 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.316 9.391 -22.675 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.310 8.860 -21.333 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.212 11.765 -22.158 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.931 12.778 -18.638 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.733 13.609 -20.377 1.00 0.00 H new ATOM 160 N ASN A 11 0.149 6.289 -19.937 1.00 0.00 N ATOM 161 CA ASN A 11 -0.371 4.938 -19.760 1.00 0.00 C ATOM 162 C ASN A 11 0.588 3.905 -20.344 1.00 0.00 C ATOM 163 O ASN A 11 0.196 2.777 -20.642 1.00 0.00 O ATOM 164 CB ASN A 11 -1.744 4.807 -20.421 1.00 0.00 C ATOM 165 CG ASN A 11 -2.630 3.795 -19.720 1.00 0.00 C ATOM 166 OD1 ASN A 11 -3.296 4.114 -18.735 1.00 0.00 O ATOM 167 ND2 ASN A 11 -2.641 2.568 -20.226 1.00 0.00 N ATOM 0 H ASN A 11 0.476 6.731 -19.078 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.471 4.751 -18.691 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.238 5.779 -20.422 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.616 4.513 -21.463 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.218 1.844 -19.797 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.073 2.349 -21.044 1.00 0.00 H new ATOM 174 N CYS A 12 1.847 4.299 -20.505 1.00 0.00 N ATOM 175 CA CYS A 12 2.863 3.409 -21.053 1.00 0.00 C ATOM 176 C CYS A 12 3.861 2.994 -19.976 1.00 0.00 C ATOM 177 O CYS A 12 3.879 3.556 -18.881 1.00 0.00 O ATOM 178 CB CYS A 12 3.598 4.090 -22.209 1.00 0.00 C ATOM 179 SG CYS A 12 2.871 3.763 -23.847 1.00 0.00 S ATOM 0 H CYS A 12 2.188 5.230 -20.263 1.00 0.00 H new ATOM 0 HA CYS A 12 2.364 2.514 -21.425 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.608 5.166 -22.036 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.636 3.758 -22.211 1.00 0.00 H new ATOM 184 N VAL A 13 4.691 2.006 -20.295 1.00 0.00 N ATOM 185 CA VAL A 13 5.693 1.516 -19.356 1.00 0.00 C ATOM 186 C VAL A 13 7.011 2.265 -19.518 1.00 0.00 C ATOM 187 O VAL A 13 7.297 2.817 -20.581 1.00 0.00 O ATOM 188 CB VAL A 13 5.946 0.008 -19.541 1.00 0.00 C ATOM 189 CG1 VAL A 13 4.691 -0.686 -20.048 1.00 0.00 C ATOM 190 CG2 VAL A 13 7.113 -0.224 -20.488 1.00 0.00 C ATOM 0 H VAL A 13 4.689 1.529 -21.197 1.00 0.00 H new ATOM 0 HA VAL A 13 5.300 1.691 -18.354 1.00 0.00 H new ATOM 0 HB VAL A 13 6.203 -0.421 -18.573 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.889 -1.751 -20.173 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.884 -0.549 -19.329 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.400 -0.257 -21.007 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.278 -1.295 -20.607 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.888 0.219 -21.458 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.011 0.238 -20.078 1.00 0.00 H new ATOM 200 N TYR A 14 7.811 2.280 -18.458 1.00 0.00 N ATOM 201 CA TYR A 14 9.099 2.963 -18.482 1.00 0.00 C ATOM 202 C TYR A 14 10.222 1.996 -18.845 1.00 0.00 C ATOM 203 O TYR A 14 10.861 1.413 -17.969 1.00 0.00 O ATOM 204 CB TYR A 14 9.384 3.606 -17.124 1.00 0.00 C ATOM 205 CG TYR A 14 8.884 5.028 -17.010 1.00 0.00 C ATOM 206 CD1 TYR A 14 8.098 5.425 -15.935 1.00 0.00 C ATOM 207 CD2 TYR A 14 9.196 5.975 -17.978 1.00 0.00 C ATOM 208 CE1 TYR A 14 7.638 6.724 -15.827 1.00 0.00 C ATOM 209 CE2 TYR A 14 8.741 7.276 -17.878 1.00 0.00 C ATOM 210 CZ TYR A 14 7.962 7.645 -16.801 1.00 0.00 C ATOM 211 OH TYR A 14 7.506 8.939 -16.699 1.00 0.00 O ATOM 0 H TYR A 14 7.590 1.827 -17.571 1.00 0.00 H new ATOM 0 HA TYR A 14 9.054 3.742 -19.243 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.922 3.004 -16.342 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.459 3.592 -16.943 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.842 4.706 -15.171 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.805 5.689 -18.823 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.028 7.016 -14.985 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.994 8.000 -18.639 1.00 0.00 H new ATOM 0 HH TYR A 14 7.824 9.459 -17.466 1.00 0.00 H new ATOM 221 N GLU A 15 10.456 1.831 -20.143 1.00 0.00 N ATOM 222 CA GLU A 15 11.501 0.935 -20.623 1.00 0.00 C ATOM 223 C GLU A 15 12.880 1.430 -20.195 1.00 0.00 C ATOM 224 O GLU A 15 13.288 2.540 -20.536 1.00 0.00 O ATOM 225 CB GLU A 15 11.441 0.814 -22.147 1.00 0.00 C ATOM 226 CG GLU A 15 12.388 -0.231 -22.713 1.00 0.00 C ATOM 227 CD GLU A 15 12.519 -0.143 -24.221 1.00 0.00 C ATOM 228 OE1 GLU A 15 11.816 -0.900 -24.922 1.00 0.00 O ATOM 229 OE2 GLU A 15 13.326 0.681 -24.699 1.00 0.00 O ATOM 0 H GLU A 15 9.936 2.306 -20.881 1.00 0.00 H new ATOM 0 HA GLU A 15 11.333 -0.047 -20.182 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.422 0.567 -22.443 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.676 1.782 -22.589 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.371 -0.109 -22.259 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.032 -1.224 -22.440 1.00 0.00 H new ATOM 236 N CYS A 16 13.595 0.597 -19.445 1.00 0.00 N ATOM 237 CA CYS A 16 14.927 0.948 -18.969 1.00 0.00 C ATOM 238 C CYS A 16 16.001 0.213 -19.766 1.00 0.00 C ATOM 239 O CYS A 16 15.698 -0.670 -20.569 1.00 0.00 O ATOM 240 CB CYS A 16 15.064 0.615 -17.482 1.00 0.00 C ATOM 241 SG CYS A 16 14.024 -0.777 -16.933 1.00 0.00 S ATOM 0 H CYS A 16 13.273 -0.326 -19.154 1.00 0.00 H new ATOM 0 HA CYS A 16 15.065 2.020 -19.109 1.00 0.00 H new ATOM 0 HB2 CYS A 16 16.107 0.382 -17.267 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.808 1.499 -16.898 1.00 0.00 H new ATOM 246 N TYR A 17 17.256 0.584 -19.539 1.00 0.00 N ATOM 247 CA TYR A 17 18.375 -0.037 -20.238 1.00 0.00 C ATOM 248 C TYR A 17 19.406 -0.572 -19.248 1.00 0.00 C ATOM 249 O TYR A 17 20.174 -1.478 -19.565 1.00 0.00 O ATOM 250 CB TYR A 17 19.033 0.967 -21.185 1.00 0.00 C ATOM 251 CG TYR A 17 20.342 0.483 -21.766 1.00 0.00 C ATOM 252 CD1 TYR A 17 20.364 -0.393 -22.844 1.00 0.00 C ATOM 253 CD2 TYR A 17 21.557 0.901 -21.238 1.00 0.00 C ATOM 254 CE1 TYR A 17 21.557 -0.839 -23.379 1.00 0.00 C ATOM 255 CE2 TYR A 17 22.755 0.462 -21.767 1.00 0.00 C ATOM 256 CZ TYR A 17 22.750 -0.408 -22.837 1.00 0.00 C ATOM 257 OH TYR A 17 23.941 -0.850 -23.366 1.00 0.00 O ATOM 0 H TYR A 17 17.524 1.312 -18.876 1.00 0.00 H new ATOM 0 HA TYR A 17 17.988 -0.874 -20.819 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.344 1.191 -22.000 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.206 1.900 -20.649 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.432 -0.731 -23.271 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.565 1.581 -20.399 1.00 0.00 H new ATOM 0 HE1 TYR A 17 21.556 -1.521 -24.216 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.691 0.798 -21.345 1.00 0.00 H new ATOM 0 HH TYR A 17 24.687 -0.452 -22.871 1.00 0.00 H new ATOM 267 N ASN A 18 19.415 -0.002 -18.047 1.00 0.00 N ATOM 268 CA ASN A 18 20.350 -0.420 -17.010 1.00 0.00 C ATOM 269 C ASN A 18 19.641 -1.241 -15.937 1.00 0.00 C ATOM 270 O ASN A 18 19.219 -0.724 -14.902 1.00 0.00 O ATOM 271 CB ASN A 18 21.019 0.801 -16.375 1.00 0.00 C ATOM 272 CG ASN A 18 22.403 0.489 -15.838 1.00 0.00 C ATOM 273 OD1 ASN A 18 22.693 -0.647 -15.463 1.00 0.00 O ATOM 274 ND2 ASN A 18 23.264 1.499 -15.800 1.00 0.00 N ATOM 0 H ASN A 18 18.785 0.750 -17.769 1.00 0.00 H new ATOM 0 HA ASN A 18 21.114 -1.044 -17.474 1.00 0.00 H new ATOM 0 HB2 ASN A 18 21.091 1.598 -17.115 1.00 0.00 H new ATOM 0 HB3 ASN A 18 20.393 1.174 -15.564 1.00 0.00 H new ATOM 0 HD21 ASN A 18 24.210 1.350 -15.449 1.00 0.00 H new ATOM 0 HD22 ASN A 18 22.979 2.424 -16.122 1.00 0.00 H new ATOM 281 N PRO A 19 19.508 -2.552 -16.187 1.00 0.00 N ATOM 282 CA PRO A 19 18.851 -3.472 -15.254 1.00 0.00 C ATOM 283 C PRO A 19 19.672 -3.698 -13.989 1.00 0.00 C ATOM 284 O PRO A 19 19.130 -4.038 -12.937 1.00 0.00 O ATOM 285 CB PRO A 19 18.739 -4.771 -16.057 1.00 0.00 C ATOM 286 CG PRO A 19 19.840 -4.693 -17.058 1.00 0.00 C ATOM 287 CD PRO A 19 19.987 -3.236 -17.399 1.00 0.00 C ATOM 0 HA PRO A 19 17.893 -3.085 -14.906 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.849 -5.645 -15.414 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.767 -4.853 -16.543 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.768 -5.094 -16.650 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.603 -5.280 -17.946 1.00 0.00 H new ATOM 0 HD2 PRO A 19 21.022 -2.978 -17.623 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.395 -2.966 -18.273 1.00 0.00 H new ATOM 295 N LYS A 20 20.982 -3.505 -14.096 1.00 0.00 N ATOM 296 CA LYS A 20 21.879 -3.686 -12.961 1.00 0.00 C ATOM 297 C LYS A 20 22.126 -2.360 -12.247 1.00 0.00 C ATOM 298 O LYS A 20 22.455 -2.334 -11.062 1.00 0.00 O ATOM 299 CB LYS A 20 23.209 -4.284 -13.424 1.00 0.00 C ATOM 300 CG LYS A 20 23.053 -5.554 -14.241 1.00 0.00 C ATOM 301 CD LYS A 20 22.972 -6.783 -13.351 1.00 0.00 C ATOM 302 CE LYS A 20 23.265 -8.056 -14.131 1.00 0.00 C ATOM 303 NZ LYS A 20 22.103 -8.479 -14.960 1.00 0.00 N ATOM 0 H LYS A 20 21.447 -3.223 -14.959 1.00 0.00 H new ATOM 0 HA LYS A 20 21.404 -4.373 -12.261 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.744 -3.543 -14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 20 23.825 -4.497 -12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 20 22.153 -5.486 -14.852 1.00 0.00 H new ATOM 0 HG3 LYS A 20 23.896 -5.654 -14.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.682 -6.686 -12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 20 21.979 -6.847 -12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 20 24.131 -7.897 -14.774 1.00 0.00 H new ATOM 0 HE3 LYS A 20 23.526 -8.855 -13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.343 -9.350 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 21.284 -8.656 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 21.870 -7.727 -15.640 1.00 0.00 H new ATOM 317 N GLY A 21 21.964 -1.261 -12.977 1.00 0.00 N ATOM 318 CA GLY A 21 22.172 0.053 -12.396 1.00 0.00 C ATOM 319 C GLY A 21 20.980 0.525 -11.588 1.00 0.00 C ATOM 320 O GLY A 21 20.018 -0.218 -11.396 1.00 0.00 O ATOM 0 H GLY A 21 21.692 -1.257 -13.960 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.054 0.028 -11.756 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.375 0.770 -13.191 1.00 0.00 H new ATOM 324 N SER A 22 21.044 1.764 -11.112 1.00 0.00 N ATOM 325 CA SER A 22 19.963 2.333 -10.314 1.00 0.00 C ATOM 326 C SER A 22 19.016 3.150 -11.188 1.00 0.00 C ATOM 327 O SER A 22 18.346 4.065 -10.709 1.00 0.00 O ATOM 328 CB SER A 22 20.532 3.213 -9.199 1.00 0.00 C ATOM 329 OG SER A 22 21.096 2.424 -8.166 1.00 0.00 O ATOM 0 H SER A 22 21.832 2.393 -11.265 1.00 0.00 H new ATOM 0 HA SER A 22 19.402 1.512 -9.868 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.292 3.879 -9.609 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.742 3.843 -8.790 1.00 0.00 H new ATOM 0 HG SER A 22 21.454 3.009 -7.466 1.00 0.00 H new ATOM 335 N TYR A 23 18.965 2.811 -12.471 1.00 0.00 N ATOM 336 CA TYR A 23 18.102 3.514 -13.413 1.00 0.00 C ATOM 337 C TYR A 23 16.640 3.418 -12.989 1.00 0.00 C ATOM 338 O TYR A 23 16.020 4.417 -12.623 1.00 0.00 O ATOM 339 CB TYR A 23 18.275 2.940 -14.821 1.00 0.00 C ATOM 340 CG TYR A 23 17.663 3.800 -15.904 1.00 0.00 C ATOM 341 CD1 TYR A 23 16.987 4.972 -15.589 1.00 0.00 C ATOM 342 CD2 TYR A 23 17.760 3.439 -17.242 1.00 0.00 C ATOM 343 CE1 TYR A 23 16.426 5.760 -16.575 1.00 0.00 C ATOM 344 CE2 TYR A 23 17.203 4.221 -18.235 1.00 0.00 C ATOM 345 CZ TYR A 23 16.537 5.381 -17.897 1.00 0.00 C ATOM 346 OH TYR A 23 15.980 6.162 -18.883 1.00 0.00 O ATOM 0 H TYR A 23 19.511 2.054 -12.883 1.00 0.00 H new ATOM 0 HA TYR A 23 18.392 4.565 -13.417 1.00 0.00 H new ATOM 0 HB2 TYR A 23 19.338 2.815 -15.025 1.00 0.00 H new ATOM 0 HB3 TYR A 23 17.824 1.948 -14.858 1.00 0.00 H new ATOM 0 HD1 TYR A 23 16.899 5.272 -14.555 1.00 0.00 H new ATOM 0 HD2 TYR A 23 18.280 2.531 -17.510 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.903 6.668 -16.313 1.00 0.00 H new ATOM 0 HE2 TYR A 23 17.288 3.926 -19.270 1.00 0.00 H new ATOM 0 HH TYR A 23 16.149 5.754 -19.758 1.00 0.00 H new ATOM 356 N CYS A 24 16.094 2.207 -13.039 1.00 0.00 N ATOM 357 CA CYS A 24 14.706 1.977 -12.660 1.00 0.00 C ATOM 358 C CYS A 24 14.503 2.213 -11.166 1.00 0.00 C ATOM 359 O CYS A 24 13.473 2.736 -10.744 1.00 0.00 O ATOM 360 CB CYS A 24 14.285 0.552 -13.025 1.00 0.00 C ATOM 361 SG CYS A 24 13.835 0.334 -14.776 1.00 0.00 S ATOM 0 H CYS A 24 16.593 1.369 -13.339 1.00 0.00 H new ATOM 0 HA CYS A 24 14.084 2.684 -13.209 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.101 -0.129 -12.783 1.00 0.00 H new ATOM 0 HB3 CYS A 24 13.436 0.265 -12.405 1.00 0.00 H new ATOM 366 N ASN A 25 15.495 1.823 -10.372 1.00 0.00 N ATOM 367 CA ASN A 25 15.426 1.991 -8.925 1.00 0.00 C ATOM 368 C ASN A 25 15.211 3.456 -8.557 1.00 0.00 C ATOM 369 O ASN A 25 14.228 3.805 -7.904 1.00 0.00 O ATOM 370 CB ASN A 25 16.707 1.472 -8.269 1.00 0.00 C ATOM 371 CG ASN A 25 16.464 0.933 -6.872 1.00 0.00 C ATOM 372 OD1 ASN A 25 16.159 -0.246 -6.694 1.00 0.00 O ATOM 373 ND2 ASN A 25 16.598 1.798 -5.873 1.00 0.00 N ATOM 0 H ASN A 25 16.355 1.389 -10.706 1.00 0.00 H new ATOM 0 HA ASN A 25 14.577 1.414 -8.557 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.137 0.685 -8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 25 17.440 2.277 -8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.447 1.494 -4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.852 2.766 -6.068 1.00 0.00 H new ATOM 380 N ASP A 26 16.138 4.309 -8.981 1.00 0.00 N ATOM 381 CA ASP A 26 16.049 5.737 -8.698 1.00 0.00 C ATOM 382 C ASP A 26 14.730 6.311 -9.205 1.00 0.00 C ATOM 383 O ASP A 26 13.990 6.949 -8.456 1.00 0.00 O ATOM 384 CB ASP A 26 17.223 6.479 -9.339 1.00 0.00 C ATOM 385 CG ASP A 26 18.472 6.438 -8.480 1.00 0.00 C ATOM 386 OD1 ASP A 26 19.547 6.090 -9.012 1.00 0.00 O ATOM 387 OD2 ASP A 26 18.375 6.756 -7.276 1.00 0.00 O ATOM 0 H ASP A 26 16.959 4.036 -9.521 1.00 0.00 H new ATOM 0 HA ASP A 26 16.090 5.872 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.440 6.038 -10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.941 7.517 -9.515 1.00 0.00 H new ATOM 392 N LEU A 27 14.443 6.080 -10.482 1.00 0.00 N ATOM 393 CA LEU A 27 13.213 6.575 -11.090 1.00 0.00 C ATOM 394 C LEU A 27 11.988 6.031 -10.363 1.00 0.00 C ATOM 395 O LEU A 27 10.977 6.720 -10.225 1.00 0.00 O ATOM 396 CB LEU A 27 13.159 6.184 -12.568 1.00 0.00 C ATOM 397 CG LEU A 27 11.765 5.931 -13.145 1.00 0.00 C ATOM 398 CD1 LEU A 27 10.900 7.174 -13.013 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.861 5.497 -14.600 1.00 0.00 C ATOM 0 H LEU A 27 15.045 5.554 -11.115 1.00 0.00 H new ATOM 0 HA LEU A 27 13.208 7.662 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.633 6.974 -13.150 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.757 5.283 -12.707 1.00 0.00 H new ATOM 0 HG LEU A 27 11.298 5.126 -12.577 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.912 6.976 -13.429 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.804 7.440 -11.960 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.363 7.999 -13.555 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.860 5.321 -14.994 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.348 6.280 -15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.444 4.579 -14.668 1.00 0.00 H new ATOM 411 N CYS A 28 12.085 4.790 -9.898 1.00 0.00 N ATOM 412 CA CYS A 28 10.987 4.152 -9.182 1.00 0.00 C ATOM 413 C CYS A 28 10.699 4.877 -7.870 1.00 0.00 C ATOM 414 O CYS A 28 9.589 5.359 -7.644 1.00 0.00 O ATOM 415 CB CYS A 28 11.315 2.684 -8.906 1.00 0.00 C ATOM 416 SG CYS A 28 10.766 1.540 -10.214 1.00 0.00 S ATOM 0 H CYS A 28 12.914 4.206 -10.005 1.00 0.00 H new ATOM 0 HA CYS A 28 10.097 4.206 -9.809 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.393 2.582 -8.777 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.852 2.390 -7.964 1.00 0.00 H new ATOM 421 N THR A 29 11.708 4.950 -7.008 1.00 0.00 N ATOM 422 CA THR A 29 11.564 5.614 -5.718 1.00 0.00 C ATOM 423 C THR A 29 11.255 7.096 -5.894 1.00 0.00 C ATOM 424 O THR A 29 10.608 7.709 -5.046 1.00 0.00 O ATOM 425 CB THR A 29 12.838 5.465 -4.865 1.00 0.00 C ATOM 426 OG1 THR A 29 13.727 6.559 -5.117 1.00 0.00 O ATOM 427 CG2 THR A 29 13.543 4.152 -5.169 1.00 0.00 C ATOM 0 H THR A 29 12.634 4.558 -7.180 1.00 0.00 H new ATOM 0 HA THR A 29 10.733 5.131 -5.205 1.00 0.00 H new ATOM 0 HB THR A 29 12.547 5.468 -3.814 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.534 6.458 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.440 4.070 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.874 3.320 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.821 4.124 -6.222 1.00 0.00 H new ATOM 435 N GLU A 30 11.720 7.665 -7.002 1.00 0.00 N ATOM 436 CA GLU A 30 11.492 9.077 -7.288 1.00 0.00 C ATOM 437 C GLU A 30 10.002 9.405 -7.253 1.00 0.00 C ATOM 438 O GLU A 30 9.615 10.562 -7.092 1.00 0.00 O ATOM 439 CB GLU A 30 12.074 9.444 -8.655 1.00 0.00 C ATOM 440 CG GLU A 30 12.396 10.921 -8.802 1.00 0.00 C ATOM 441 CD GLU A 30 13.109 11.236 -10.103 1.00 0.00 C ATOM 442 OE1 GLU A 30 13.431 12.421 -10.331 1.00 0.00 O ATOM 443 OE2 GLU A 30 13.345 10.298 -10.893 1.00 0.00 O ATOM 0 H GLU A 30 12.256 7.171 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 30 11.994 9.663 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.982 8.864 -8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.365 9.156 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.472 11.497 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.018 11.239 -7.965 1.00 0.00 H new ATOM 450 N ASN A 31 9.172 8.378 -7.404 1.00 0.00 N ATOM 451 CA ASN A 31 7.725 8.557 -7.391 1.00 0.00 C ATOM 452 C ASN A 31 7.136 8.127 -6.051 1.00 0.00 C ATOM 453 O ASN A 31 5.951 7.810 -5.954 1.00 0.00 O ATOM 454 CB ASN A 31 7.081 7.755 -8.524 1.00 0.00 C ATOM 455 CG ASN A 31 7.525 8.231 -9.894 1.00 0.00 C ATOM 456 OD1 ASN A 31 8.818 8.109 -10.172 1.00 0.00 O flip ATOM 457 ND2 ASN A 31 6.715 8.703 -10.692 1.00 0.00 N flip ATOM 0 H ASN A 31 9.477 7.414 -7.537 1.00 0.00 H new ATOM 0 HA ASN A 31 7.513 9.616 -7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.334 6.701 -8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.996 7.832 -8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.731 8.778 -10.435 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.028 9.019 -11.610 1.00 0.00 H new ATOM 464 N GLY A 32 7.973 8.120 -5.018 1.00 0.00 N ATOM 465 CA GLY A 32 7.518 7.728 -3.696 1.00 0.00 C ATOM 466 C GLY A 32 7.789 6.266 -3.399 1.00 0.00 C ATOM 467 O GLY A 32 7.679 5.828 -2.255 1.00 0.00 O ATOM 0 H GLY A 32 8.958 8.379 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.013 8.346 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.448 7.921 -3.611 1.00 0.00 H new ATOM 471 N ALA A 33 8.143 5.510 -4.433 1.00 0.00 N ATOM 472 CA ALA A 33 8.431 4.090 -4.277 1.00 0.00 C ATOM 473 C ALA A 33 9.620 3.869 -3.348 1.00 0.00 C ATOM 474 O ALA A 33 10.400 4.787 -3.095 1.00 0.00 O ATOM 475 CB ALA A 33 8.694 3.452 -5.634 1.00 0.00 C ATOM 0 H ALA A 33 8.237 5.857 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 33 7.559 3.616 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.908 2.391 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.815 3.569 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.548 3.938 -6.105 1.00 0.00 H new ATOM 481 N GLU A 34 9.751 2.647 -2.842 1.00 0.00 N ATOM 482 CA GLU A 34 10.845 2.308 -1.939 1.00 0.00 C ATOM 483 C GLU A 34 12.055 1.798 -2.717 1.00 0.00 C ATOM 484 O GLU A 34 13.197 1.965 -2.289 1.00 0.00 O ATOM 485 CB GLU A 34 10.393 1.252 -0.928 1.00 0.00 C ATOM 486 CG GLU A 34 11.097 1.354 0.415 1.00 0.00 C ATOM 487 CD GLU A 34 10.754 2.631 1.157 1.00 0.00 C ATOM 488 OE1 GLU A 34 9.761 3.288 0.780 1.00 0.00 O ATOM 489 OE2 GLU A 34 11.479 2.974 2.115 1.00 0.00 O ATOM 0 H GLU A 34 9.114 1.876 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 34 11.134 3.213 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.318 1.346 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.569 0.261 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.825 0.496 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.175 1.306 0.261 1.00 0.00 H new ATOM 496 N SER A 35 11.794 1.175 -3.862 1.00 0.00 N ATOM 497 CA SER A 35 12.861 0.636 -4.699 1.00 0.00 C ATOM 498 C SER A 35 12.359 0.372 -6.115 1.00 0.00 C ATOM 499 O SER A 35 11.191 0.602 -6.425 1.00 0.00 O ATOM 500 CB SER A 35 13.411 -0.655 -4.091 1.00 0.00 C ATOM 501 OG SER A 35 13.763 -0.469 -2.731 1.00 0.00 O ATOM 0 H SER A 35 10.854 1.031 -4.231 1.00 0.00 H new ATOM 0 HA SER A 35 13.660 1.375 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.665 -1.445 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.285 -0.983 -4.654 1.00 0.00 H new ATOM 0 HG SER A 35 13.932 0.482 -2.564 1.00 0.00 H new ATOM 507 N GLY A 36 13.252 -0.115 -6.971 1.00 0.00 N ATOM 508 CA GLY A 36 12.882 -0.403 -8.345 1.00 0.00 C ATOM 509 C GLY A 36 13.938 -1.212 -9.072 1.00 0.00 C ATOM 510 O GLY A 36 15.093 -1.262 -8.648 1.00 0.00 O ATOM 0 H GLY A 36 14.225 -0.315 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.938 -0.948 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.716 0.534 -8.877 1.00 0.00 H new ATOM 514 N TYR A 37 13.543 -1.847 -10.169 1.00 0.00 N ATOM 515 CA TYR A 37 14.463 -2.661 -10.955 1.00 0.00 C ATOM 516 C TYR A 37 13.907 -2.917 -12.352 1.00 0.00 C ATOM 517 O TYR A 37 12.693 -2.940 -12.556 1.00 0.00 O ATOM 518 CB TYR A 37 14.730 -3.991 -10.249 1.00 0.00 C ATOM 519 CG TYR A 37 13.543 -4.928 -10.251 1.00 0.00 C ATOM 520 CD1 TYR A 37 13.082 -5.492 -11.434 1.00 0.00 C ATOM 521 CD2 TYR A 37 12.882 -5.247 -9.072 1.00 0.00 C ATOM 522 CE1 TYR A 37 11.997 -6.348 -11.442 1.00 0.00 C ATOM 523 CE2 TYR A 37 11.797 -6.102 -9.070 1.00 0.00 C ATOM 524 CZ TYR A 37 11.358 -6.650 -10.257 1.00 0.00 C ATOM 525 OH TYR A 37 10.277 -7.501 -10.260 1.00 0.00 O ATOM 0 H TYR A 37 12.591 -1.814 -10.535 1.00 0.00 H new ATOM 0 HA TYR A 37 15.401 -2.113 -11.052 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.573 -4.486 -10.731 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.024 -3.793 -9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.580 -5.258 -12.363 1.00 0.00 H new ATOM 0 HD2 TYR A 37 13.222 -4.819 -8.141 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.651 -6.778 -12.370 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.295 -6.340 -8.144 1.00 0.00 H new ATOM 0 HH TYR A 37 9.451 -6.981 -10.168 1.00 0.00 H new ATOM 535 N CYS A 38 14.805 -3.110 -13.313 1.00 0.00 N ATOM 536 CA CYS A 38 14.407 -3.364 -14.692 1.00 0.00 C ATOM 537 C CYS A 38 14.009 -4.825 -14.883 1.00 0.00 C ATOM 538 O CYS A 38 14.816 -5.730 -14.673 1.00 0.00 O ATOM 539 CB CYS A 38 15.547 -3.005 -15.648 1.00 0.00 C ATOM 540 SG CYS A 38 14.992 -2.481 -17.302 1.00 0.00 S ATOM 0 H CYS A 38 15.814 -3.095 -13.161 1.00 0.00 H new ATOM 0 HA CYS A 38 13.543 -2.738 -14.916 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.140 -2.205 -15.205 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.204 -3.868 -15.753 1.00 0.00 H new ATOM 545 N GLN A 39 12.761 -5.045 -15.282 1.00 0.00 N ATOM 546 CA GLN A 39 12.256 -6.396 -15.500 1.00 0.00 C ATOM 547 C GLN A 39 12.144 -6.701 -16.990 1.00 0.00 C ATOM 548 O GLN A 39 11.275 -6.167 -17.679 1.00 0.00 O ATOM 549 CB GLN A 39 10.893 -6.569 -14.828 1.00 0.00 C ATOM 550 CG GLN A 39 10.627 -7.986 -14.347 1.00 0.00 C ATOM 551 CD GLN A 39 9.984 -8.853 -15.411 1.00 0.00 C ATOM 552 OE1 GLN A 39 10.003 -8.518 -16.596 1.00 0.00 O ATOM 553 NE2 GLN A 39 9.409 -9.975 -14.994 1.00 0.00 N ATOM 0 H GLN A 39 12.081 -4.306 -15.461 1.00 0.00 H new ATOM 0 HA GLN A 39 12.963 -7.097 -15.056 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.826 -5.888 -13.980 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.112 -6.280 -15.531 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.566 -8.441 -14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.979 -7.953 -13.471 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.417 -10.214 -14.002 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.960 -10.598 -15.665 1.00 0.00 H new ATOM 562 N ILE A 40 13.029 -7.562 -17.481 1.00 0.00 N ATOM 563 CA ILE A 40 13.029 -7.938 -18.889 1.00 0.00 C ATOM 564 C ILE A 40 11.994 -9.022 -19.169 1.00 0.00 C ATOM 565 O ILE A 40 11.364 -9.037 -20.227 1.00 0.00 O ATOM 566 CB ILE A 40 14.414 -8.438 -19.339 1.00 0.00 C ATOM 567 CG1 ILE A 40 14.313 -9.863 -19.886 1.00 0.00 C ATOM 568 CG2 ILE A 40 15.400 -8.377 -18.182 1.00 0.00 C ATOM 569 CD1 ILE A 40 13.571 -9.955 -21.201 1.00 0.00 C ATOM 0 H ILE A 40 13.755 -8.012 -16.924 1.00 0.00 H new ATOM 0 HA ILE A 40 12.775 -7.041 -19.454 1.00 0.00 H new ATOM 0 HB ILE A 40 14.778 -7.789 -20.135 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.318 -10.265 -20.016 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.811 -10.491 -19.150 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.375 -8.734 -18.515 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.490 -7.348 -17.834 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.043 -9.006 -17.366 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.538 -10.994 -21.528 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.555 -9.583 -21.072 1.00 0.00 H new ATOM 0 HD13 ILE A 40 14.085 -9.354 -21.951 1.00 0.00 H new ATOM 581 N LEU A 41 11.821 -9.927 -18.212 1.00 0.00 N ATOM 582 CA LEU A 41 10.860 -11.016 -18.353 1.00 0.00 C ATOM 583 C LEU A 41 9.441 -10.529 -18.076 1.00 0.00 C ATOM 584 O LEU A 41 8.695 -11.155 -17.325 1.00 0.00 O ATOM 585 CB LEU A 41 11.213 -12.161 -17.402 1.00 0.00 C ATOM 586 CG LEU A 41 12.606 -12.769 -17.572 1.00 0.00 C ATOM 587 CD1 LEU A 41 13.206 -13.116 -16.218 1.00 0.00 C ATOM 588 CD2 LEU A 41 12.545 -14.001 -18.462 1.00 0.00 C ATOM 0 H LEU A 41 12.333 -9.929 -17.330 1.00 0.00 H new ATOM 0 HA LEU A 41 10.907 -11.378 -19.380 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.119 -11.799 -16.378 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.475 -12.953 -17.529 1.00 0.00 H new ATOM 0 HG LEU A 41 13.248 -12.030 -18.052 1.00 0.00 H new ATOM 0 HD11 LEU A 41 14.197 -13.547 -16.359 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.286 -12.213 -15.613 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.565 -13.837 -15.710 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.545 -14.420 -18.572 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.888 -14.744 -18.010 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.159 -13.723 -19.442 1.00 0.00 H new ATOM 600 N GLY A 42 9.075 -9.408 -18.690 1.00 0.00 N ATOM 601 CA GLY A 42 7.746 -8.857 -18.498 1.00 0.00 C ATOM 602 C GLY A 42 6.801 -9.218 -19.627 1.00 0.00 C ATOM 603 O GLY A 42 7.183 -9.911 -20.570 1.00 0.00 O ATOM 0 H GLY A 42 9.675 -8.872 -19.317 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.337 -9.222 -17.556 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.814 -7.772 -18.418 1.00 0.00 H new ATOM 607 N LYS A 43 5.562 -8.747 -19.532 1.00 0.00 N ATOM 608 CA LYS A 43 4.558 -9.024 -20.553 1.00 0.00 C ATOM 609 C LYS A 43 4.689 -8.053 -21.722 1.00 0.00 C ATOM 610 O LYS A 43 4.321 -8.374 -22.852 1.00 0.00 O ATOM 611 CB LYS A 43 3.153 -8.930 -19.954 1.00 0.00 C ATOM 612 CG LYS A 43 2.210 -8.044 -20.750 1.00 0.00 C ATOM 613 CD LYS A 43 0.790 -8.120 -20.216 1.00 0.00 C ATOM 614 CE LYS A 43 0.248 -9.540 -20.273 1.00 0.00 C ATOM 615 NZ LYS A 43 -1.221 -9.584 -20.028 1.00 0.00 N ATOM 0 H LYS A 43 5.229 -8.172 -18.758 1.00 0.00 H new ATOM 0 HA LYS A 43 4.722 -10.036 -20.923 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.728 -9.931 -19.888 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.226 -8.547 -18.936 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.559 -7.012 -20.712 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.223 -8.346 -21.797 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.768 -7.762 -19.187 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.146 -7.460 -20.797 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.466 -9.973 -21.249 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.758 -10.154 -19.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.551 -10.569 -20.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.428 -9.194 -19.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.711 -9.020 -20.751 1.00 0.00 H new ATOM 629 N TYR A 44 5.217 -6.867 -21.444 1.00 0.00 N ATOM 630 CA TYR A 44 5.396 -5.849 -22.473 1.00 0.00 C ATOM 631 C TYR A 44 6.877 -5.573 -22.714 1.00 0.00 C ATOM 632 O TYR A 44 7.252 -4.496 -23.177 1.00 0.00 O ATOM 633 CB TYR A 44 4.684 -4.556 -22.070 1.00 0.00 C ATOM 634 CG TYR A 44 3.437 -4.783 -21.246 1.00 0.00 C ATOM 635 CD1 TYR A 44 2.205 -4.984 -21.855 1.00 0.00 C ATOM 636 CD2 TYR A 44 3.491 -4.796 -19.857 1.00 0.00 C ATOM 637 CE1 TYR A 44 1.063 -5.191 -21.106 1.00 0.00 C ATOM 638 CE2 TYR A 44 2.355 -5.004 -19.100 1.00 0.00 C ATOM 639 CZ TYR A 44 1.143 -5.201 -19.729 1.00 0.00 C ATOM 640 OH TYR A 44 0.008 -5.407 -18.978 1.00 0.00 O ATOM 0 H TYR A 44 5.529 -6.586 -20.514 1.00 0.00 H new ATOM 0 HA TYR A 44 4.959 -6.223 -23.399 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.375 -3.932 -21.503 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.419 -4.002 -22.970 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.139 -4.978 -22.933 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.438 -4.641 -19.361 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.113 -5.344 -21.596 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.415 -5.012 -18.022 1.00 0.00 H new ATOM 0 HH TYR A 44 0.238 -5.385 -18.026 1.00 0.00 H new ATOM 650 N GLY A 45 7.715 -6.556 -22.398 1.00 0.00 N ATOM 651 CA GLY A 45 9.145 -6.401 -22.588 1.00 0.00 C ATOM 652 C GLY A 45 9.848 -5.924 -21.332 1.00 0.00 C ATOM 653 O GLY A 45 9.605 -6.439 -20.242 1.00 0.00 O ATOM 0 H GLY A 45 7.429 -7.457 -22.014 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.572 -7.354 -22.900 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.326 -5.691 -23.394 1.00 0.00 H new ATOM 657 N ASN A 46 10.725 -4.936 -21.486 1.00 0.00 N ATOM 658 CA ASN A 46 11.467 -4.390 -20.355 1.00 0.00 C ATOM 659 C ASN A 46 10.738 -3.193 -19.753 1.00 0.00 C ATOM 660 O ASN A 46 10.675 -2.123 -20.358 1.00 0.00 O ATOM 661 CB ASN A 46 12.874 -3.978 -20.793 1.00 0.00 C ATOM 662 CG ASN A 46 13.889 -5.087 -20.596 1.00 0.00 C ATOM 663 OD1 ASN A 46 14.199 -5.834 -21.525 1.00 0.00 O ATOM 664 ND2 ASN A 46 14.413 -5.200 -19.380 1.00 0.00 N ATOM 0 H ASN A 46 10.939 -4.498 -22.382 1.00 0.00 H new ATOM 0 HA ASN A 46 11.544 -5.166 -19.593 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.854 -3.690 -21.844 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.185 -3.100 -20.227 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.101 -5.928 -19.187 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.127 -4.559 -18.640 1.00 0.00 H new ATOM 671 N ALA A 47 10.191 -3.381 -18.557 1.00 0.00 N ATOM 672 CA ALA A 47 9.469 -2.316 -17.871 1.00 0.00 C ATOM 673 C ALA A 47 10.033 -2.083 -16.473 1.00 0.00 C ATOM 674 O ALA A 47 10.383 -3.029 -15.768 1.00 0.00 O ATOM 675 CB ALA A 47 7.986 -2.647 -17.796 1.00 0.00 C ATOM 0 H ALA A 47 10.234 -4.261 -18.043 1.00 0.00 H new ATOM 0 HA ALA A 47 9.596 -1.397 -18.443 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.459 -1.843 -17.281 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.586 -2.756 -18.804 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.849 -3.580 -17.249 1.00 0.00 H new ATOM 681 N CYS A 48 10.118 -0.817 -16.079 1.00 0.00 N ATOM 682 CA CYS A 48 10.640 -0.458 -14.766 1.00 0.00 C ATOM 683 C CYS A 48 9.715 -0.954 -13.658 1.00 0.00 C ATOM 684 O CYS A 48 8.599 -0.459 -13.499 1.00 0.00 O ATOM 685 CB CYS A 48 10.813 1.059 -14.659 1.00 0.00 C ATOM 686 SG CYS A 48 12.428 1.666 -15.244 1.00 0.00 S ATOM 0 H CYS A 48 9.832 -0.022 -16.651 1.00 0.00 H new ATOM 0 HA CYS A 48 11.612 -0.937 -14.646 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.024 1.545 -15.233 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.680 1.357 -13.619 1.00 0.00 H new ATOM 691 N TRP A 49 10.187 -1.935 -12.897 1.00 0.00 N ATOM 692 CA TRP A 49 9.402 -2.498 -11.804 1.00 0.00 C ATOM 693 C TRP A 49 9.751 -1.826 -10.480 1.00 0.00 C ATOM 694 O TRP A 49 10.875 -1.941 -9.991 1.00 0.00 O ATOM 695 CB TRP A 49 9.640 -4.006 -11.703 1.00 0.00 C ATOM 696 CG TRP A 49 8.870 -4.655 -10.593 1.00 0.00 C ATOM 697 CD1 TRP A 49 9.253 -4.773 -9.288 1.00 0.00 C ATOM 698 CD2 TRP A 49 7.584 -5.279 -10.693 1.00 0.00 C ATOM 699 NE1 TRP A 49 8.284 -5.431 -8.570 1.00 0.00 N ATOM 700 CE2 TRP A 49 7.250 -5.751 -9.409 1.00 0.00 C ATOM 701 CE3 TRP A 49 6.683 -5.481 -11.741 1.00 0.00 C ATOM 702 CZ2 TRP A 49 6.054 -6.414 -9.149 1.00 0.00 C ATOM 703 CZ3 TRP A 49 5.496 -6.140 -11.481 1.00 0.00 C ATOM 704 CH2 TRP A 49 5.190 -6.599 -10.194 1.00 0.00 C ATOM 0 H TRP A 49 11.108 -2.357 -13.016 1.00 0.00 H new ATOM 0 HA TRP A 49 8.348 -2.316 -12.015 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.365 -4.474 -12.648 1.00 0.00 H new ATOM 0 HB3 TRP A 49 10.704 -4.190 -11.553 1.00 0.00 H new ATOM 0 HD1 TRP A 49 10.182 -4.403 -8.880 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.328 -5.646 -7.574 1.00 0.00 H new ATOM 0 HE3 TRP A 49 6.910 -5.129 -12.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.816 -6.770 -8.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.793 -6.304 -12.284 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.254 -7.109 -10.023 1.00 0.00 H new ATOM 715 N CYS A 50 8.780 -1.124 -9.905 1.00 0.00 N ATOM 716 CA CYS A 50 8.984 -0.433 -8.637 1.00 0.00 C ATOM 717 C CYS A 50 8.459 -1.267 -7.472 1.00 0.00 C ATOM 718 O CYS A 50 7.431 -1.936 -7.588 1.00 0.00 O ATOM 719 CB CYS A 50 8.289 0.930 -8.658 1.00 0.00 C ATOM 720 SG CYS A 50 8.685 1.945 -10.118 1.00 0.00 S ATOM 0 H CYS A 50 7.844 -1.019 -10.297 1.00 0.00 H new ATOM 0 HA CYS A 50 10.055 -0.285 -8.500 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.211 0.777 -8.617 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.567 1.481 -7.760 1.00 0.00 H new ATOM 725 N ILE A 51 9.171 -1.222 -6.351 1.00 0.00 N ATOM 726 CA ILE A 51 8.776 -1.971 -5.165 1.00 0.00 C ATOM 727 C ILE A 51 8.313 -1.036 -4.053 1.00 0.00 C ATOM 728 O ILE A 51 8.927 0.002 -3.807 1.00 0.00 O ATOM 729 CB ILE A 51 9.931 -2.844 -4.640 1.00 0.00 C ATOM 730 CG1 ILE A 51 10.246 -3.964 -5.634 1.00 0.00 C ATOM 731 CG2 ILE A 51 9.581 -3.421 -3.277 1.00 0.00 C ATOM 732 CD1 ILE A 51 11.143 -3.528 -6.771 1.00 0.00 C ATOM 0 H ILE A 51 10.024 -0.675 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 51 7.949 -2.617 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 51 10.818 -2.220 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.722 -4.788 -5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.312 -4.347 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.407 -4.036 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.402 -2.608 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.683 -4.033 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.324 -4.372 -7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.660 -2.725 -7.328 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.092 -3.172 -6.370 1.00 0.00 H new ATOM 744 N GLN A 52 7.229 -1.414 -3.383 1.00 0.00 N ATOM 745 CA GLN A 52 6.685 -0.609 -2.295 1.00 0.00 C ATOM 746 C GLN A 52 6.177 0.733 -2.812 1.00 0.00 C ATOM 747 O GLN A 52 6.389 1.772 -2.187 1.00 0.00 O ATOM 748 CB GLN A 52 7.748 -0.384 -1.218 1.00 0.00 C ATOM 749 CG GLN A 52 7.820 -1.502 -0.191 1.00 0.00 C ATOM 750 CD GLN A 52 6.678 -1.452 0.806 1.00 0.00 C ATOM 751 OE1 GLN A 52 5.837 -2.480 0.795 1.00 0.00 O flip ATOM 752 NE2 GLN A 52 6.553 -0.500 1.577 1.00 0.00 N flip ATOM 0 H GLN A 52 6.711 -2.271 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 52 5.846 -1.152 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.722 -0.279 -1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.541 0.556 -0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.807 -2.463 -0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.768 -1.439 0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.223 0.269 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.780 -0.480 2.242 1.00 0.00 H new ATOM 761 N LEU A 53 5.504 0.703 -3.957 1.00 0.00 N ATOM 762 CA LEU A 53 4.964 1.917 -4.559 1.00 0.00 C ATOM 763 C LEU A 53 3.591 2.247 -3.984 1.00 0.00 C ATOM 764 O LEU A 53 2.735 1.377 -3.819 1.00 0.00 O ATOM 765 CB LEU A 53 4.869 1.758 -6.078 1.00 0.00 C ATOM 766 CG LEU A 53 4.716 3.051 -6.880 1.00 0.00 C ATOM 767 CD1 LEU A 53 5.986 3.883 -6.798 1.00 0.00 C ATOM 768 CD2 LEU A 53 4.372 2.742 -8.330 1.00 0.00 C ATOM 0 H LEU A 53 5.319 -0.149 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 53 5.641 2.739 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.764 1.242 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.021 1.112 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 53 3.899 3.629 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.859 4.799 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.190 4.135 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.822 3.312 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.267 3.674 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.168 2.143 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.435 2.187 -8.371 1.00 0.00 H new ATOM 780 N PRO A 54 3.372 3.533 -3.672 1.00 0.00 N ATOM 781 CA PRO A 54 2.103 4.007 -3.112 1.00 0.00 C ATOM 782 C PRO A 54 0.968 3.959 -4.129 1.00 0.00 C ATOM 783 O PRO A 54 1.186 4.142 -5.327 1.00 0.00 O ATOM 784 CB PRO A 54 2.408 5.455 -2.719 1.00 0.00 C ATOM 785 CG PRO A 54 3.528 5.862 -3.614 1.00 0.00 C ATOM 786 CD PRO A 54 4.348 4.623 -3.842 1.00 0.00 C ATOM 0 HA PRO A 54 1.767 3.387 -2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.537 6.095 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.693 5.529 -1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.150 6.258 -4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.128 6.648 -3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.793 4.613 -4.837 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.166 4.545 -3.126 1.00 0.00 H new ATOM 794 N ASP A 55 -0.244 3.712 -3.644 1.00 0.00 N ATOM 795 CA ASP A 55 -1.415 3.642 -4.511 1.00 0.00 C ATOM 796 C ASP A 55 -1.698 4.997 -5.152 1.00 0.00 C ATOM 797 O ASP A 55 -2.588 5.122 -5.992 1.00 0.00 O ATOM 798 CB ASP A 55 -2.636 3.174 -3.717 1.00 0.00 C ATOM 799 CG ASP A 55 -2.469 1.768 -3.174 1.00 0.00 C ATOM 800 OD1 ASP A 55 -1.954 0.903 -3.914 1.00 0.00 O ATOM 801 OD2 ASP A 55 -2.853 1.533 -2.009 1.00 0.00 O ATOM 0 H ASP A 55 -0.441 3.557 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.208 2.922 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.813 3.861 -2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.518 3.211 -4.357 1.00 0.00 H new ATOM 806 N ASN A 56 -0.936 6.008 -4.749 1.00 0.00 N ATOM 807 CA ASN A 56 -1.107 7.354 -5.283 1.00 0.00 C ATOM 808 C ASN A 56 -0.442 7.485 -6.650 1.00 0.00 C ATOM 809 O ASN A 56 -0.886 8.260 -7.497 1.00 0.00 O ATOM 810 CB ASN A 56 -0.521 8.386 -4.317 1.00 0.00 C ATOM 811 CG ASN A 56 -0.980 8.167 -2.888 1.00 0.00 C ATOM 812 OD1 ASN A 56 -2.148 7.555 -2.729 1.00 0.00 O flip ATOM 813 ND2 ASN A 56 -0.291 8.542 -1.939 1.00 0.00 N flip ATOM 0 H ASN A 56 -0.194 5.921 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.175 7.540 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.567 8.340 -4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.810 9.386 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.600 9.008 -2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.611 8.386 -0.983 1.00 0.00 H new ATOM 820 N VAL A 57 0.626 6.722 -6.858 1.00 0.00 N ATOM 821 CA VAL A 57 1.352 6.751 -8.122 1.00 0.00 C ATOM 822 C VAL A 57 0.736 5.789 -9.132 1.00 0.00 C ATOM 823 O VAL A 57 0.386 4.653 -8.811 1.00 0.00 O ATOM 824 CB VAL A 57 2.836 6.390 -7.926 1.00 0.00 C ATOM 825 CG1 VAL A 57 3.627 6.670 -9.195 1.00 0.00 C ATOM 826 CG2 VAL A 57 3.418 7.153 -6.745 1.00 0.00 C ATOM 0 H VAL A 57 1.008 6.076 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 57 1.281 7.769 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 57 2.907 5.324 -7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.673 6.409 -9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.224 6.074 -10.014 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.551 7.728 -9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.467 6.886 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.335 8.224 -6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.869 6.896 -5.839 1.00 0.00 H new ATOM 836 N PRO A 58 0.599 6.252 -10.383 1.00 0.00 N ATOM 837 CA PRO A 58 0.026 5.448 -11.466 1.00 0.00 C ATOM 838 C PRO A 58 0.941 4.303 -11.886 1.00 0.00 C ATOM 839 O PRO A 58 2.162 4.456 -11.930 1.00 0.00 O ATOM 840 CB PRO A 58 -0.131 6.454 -12.610 1.00 0.00 C ATOM 841 CG PRO A 58 0.891 7.502 -12.334 1.00 0.00 C ATOM 842 CD PRO A 58 0.995 7.596 -10.837 1.00 0.00 C ATOM 0 HA PRO A 58 -0.908 4.971 -11.168 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.037 5.982 -13.578 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.136 6.876 -12.631 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.851 7.236 -12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.595 8.458 -12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.007 7.845 -10.519 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.336 8.366 -10.436 1.00 0.00 H new ATOM 850 N ILE A 59 0.343 3.156 -12.193 1.00 0.00 N ATOM 851 CA ILE A 59 1.106 1.986 -12.610 1.00 0.00 C ATOM 852 C ILE A 59 0.725 1.557 -14.023 1.00 0.00 C ATOM 853 O ILE A 59 -0.361 1.874 -14.508 1.00 0.00 O ATOM 854 CB ILE A 59 0.889 0.801 -11.650 1.00 0.00 C ATOM 855 CG1 ILE A 59 -0.597 0.447 -11.571 1.00 0.00 C ATOM 856 CG2 ILE A 59 1.435 1.132 -10.269 1.00 0.00 C ATOM 857 CD1 ILE A 59 -0.856 -1.029 -11.365 1.00 0.00 C ATOM 0 H ILE A 59 -0.666 3.012 -12.161 1.00 0.00 H new ATOM 0 HA ILE A 59 2.158 2.271 -12.590 1.00 0.00 H new ATOM 0 HB ILE A 59 1.429 -0.064 -12.035 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.052 1.005 -10.753 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.088 0.769 -12.489 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.274 0.285 -9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.502 1.341 -10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.920 2.008 -9.874 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.930 -1.207 -11.318 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.431 -1.592 -12.195 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.394 -1.353 -10.432 1.00 0.00 H new ATOM 869 N ARG A 60 1.627 0.833 -14.679 1.00 0.00 N ATOM 870 CA ARG A 60 1.385 0.359 -16.036 1.00 0.00 C ATOM 871 C ARG A 60 0.290 -0.703 -16.055 1.00 0.00 C ATOM 872 O ARG A 60 0.437 -1.771 -15.460 1.00 0.00 O ATOM 873 CB ARG A 60 2.672 -0.209 -16.637 1.00 0.00 C ATOM 874 CG ARG A 60 2.431 -1.208 -17.758 1.00 0.00 C ATOM 875 CD ARG A 60 1.538 -0.624 -18.841 1.00 0.00 C ATOM 876 NE ARG A 60 1.765 -1.257 -20.138 1.00 0.00 N ATOM 877 CZ ARG A 60 0.938 -1.135 -21.170 1.00 0.00 C ATOM 878 NH1 ARG A 60 -0.165 -0.407 -21.058 1.00 0.00 N ATOM 879 NH2 ARG A 60 1.213 -1.741 -22.318 1.00 0.00 N ATOM 0 H ARG A 60 2.531 0.562 -14.292 1.00 0.00 H new ATOM 0 HA ARG A 60 1.054 1.207 -16.636 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.279 0.613 -17.018 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.249 -0.692 -15.849 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.385 -1.506 -18.193 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.971 -2.109 -17.352 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.493 -0.748 -18.555 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.721 0.447 -18.923 1.00 0.00 H new ATOM 0 HE ARG A 60 2.605 -1.824 -20.257 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.380 0.061 -20.178 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.798 -0.315 -21.852 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.060 -2.301 -22.409 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.577 -1.646 -23.110 1.00 0.00 H new ATOM 893 N ILE A 61 -0.808 -0.401 -16.740 1.00 0.00 N ATOM 894 CA ILE A 61 -1.927 -1.330 -16.836 1.00 0.00 C ATOM 895 C ILE A 61 -2.257 -1.644 -18.291 1.00 0.00 C ATOM 896 O ILE A 61 -1.887 -0.913 -19.210 1.00 0.00 O ATOM 897 CB ILE A 61 -3.185 -0.769 -16.146 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.190 0.760 -16.211 1.00 0.00 C ATOM 899 CG2 ILE A 61 -3.253 -1.243 -14.702 1.00 0.00 C ATOM 900 CD1 ILE A 61 -3.484 1.305 -17.591 1.00 0.00 C ATOM 0 H ILE A 61 -0.946 0.479 -17.236 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.622 -2.245 -16.329 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.065 -1.139 -16.671 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.934 1.143 -15.512 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.220 1.133 -15.881 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.147 -0.838 -14.228 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.291 -2.332 -14.678 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.370 -0.899 -14.164 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.471 2.395 -17.562 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.727 0.952 -18.291 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.466 0.962 -17.916 1.00 0.00 H new ATOM 912 N PRO A 62 -2.971 -2.759 -18.508 1.00 0.00 N ATOM 913 CA PRO A 62 -3.369 -3.195 -19.850 1.00 0.00 C ATOM 914 C PRO A 62 -4.423 -2.282 -20.468 1.00 0.00 C ATOM 915 O PRO A 62 -5.593 -2.648 -20.569 1.00 0.00 O ATOM 916 CB PRO A 62 -3.946 -4.593 -19.612 1.00 0.00 C ATOM 917 CG PRO A 62 -4.402 -4.578 -18.194 1.00 0.00 C ATOM 918 CD PRO A 62 -3.446 -3.678 -17.461 1.00 0.00 C ATOM 0 HA PRO A 62 -2.533 -3.177 -20.549 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.773 -4.801 -20.291 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.195 -5.365 -19.778 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.424 -4.207 -18.117 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.394 -5.583 -17.771 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.940 -3.142 -16.650 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.625 -4.241 -17.017 1.00 0.00 H new ATOM 926 N GLY A 63 -3.999 -1.091 -20.880 1.00 0.00 N ATOM 927 CA GLY A 63 -4.919 -0.145 -21.483 1.00 0.00 C ATOM 928 C GLY A 63 -4.348 0.506 -22.728 1.00 0.00 C ATOM 929 O GLY A 63 -3.257 0.155 -23.177 1.00 0.00 O ATOM 0 H GLY A 63 -3.035 -0.765 -20.807 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.847 -0.657 -21.738 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.170 0.627 -20.756 1.00 0.00 H new ATOM 933 N LYS A 64 -5.088 1.456 -23.289 1.00 0.00 N ATOM 934 CA LYS A 64 -4.651 2.158 -24.490 1.00 0.00 C ATOM 935 C LYS A 64 -3.738 3.327 -24.135 1.00 0.00 C ATOM 936 O LYS A 64 -4.162 4.286 -23.490 1.00 0.00 O ATOM 937 CB LYS A 64 -5.860 2.663 -25.280 1.00 0.00 C ATOM 938 CG LYS A 64 -6.465 1.618 -26.202 1.00 0.00 C ATOM 939 CD LYS A 64 -7.264 0.585 -25.425 1.00 0.00 C ATOM 940 CE LYS A 64 -8.698 1.041 -25.203 1.00 0.00 C ATOM 941 NZ LYS A 64 -8.820 1.928 -24.014 1.00 0.00 N ATOM 0 H LYS A 64 -5.994 1.758 -22.931 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.090 1.456 -25.107 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.624 3.004 -24.581 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.561 3.528 -25.872 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.111 2.106 -26.932 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.672 1.121 -26.760 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.262 -0.361 -25.967 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.786 0.402 -24.463 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.052 1.569 -26.088 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.340 0.170 -25.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.737 1.765 -23.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.053 1.718 -23.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.755 2.922 -24.314 1.00 0.00 H new ATOM 955 N CYS A 65 -2.482 3.242 -24.561 1.00 0.00 N ATOM 956 CA CYS A 65 -1.509 4.292 -24.289 1.00 0.00 C ATOM 957 C CYS A 65 -1.434 5.279 -25.451 1.00 0.00 C ATOM 958 O CYS A 65 -1.831 4.964 -26.574 1.00 0.00 O ATOM 959 CB CYS A 65 -0.128 3.684 -24.033 1.00 0.00 C ATOM 960 SG CYS A 65 1.233 4.895 -24.054 1.00 0.00 S ATOM 0 H CYS A 65 -2.114 2.456 -25.097 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.833 4.830 -23.398 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.138 3.181 -23.066 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.067 2.921 -24.787 1.00 0.00 H new ATOM 965 N HIS A 66 -0.924 6.474 -25.173 1.00 0.00 N ATOM 966 CA HIS A 66 -0.796 7.507 -26.195 1.00 0.00 C ATOM 967 C HIS A 66 -2.065 7.598 -27.038 1.00 0.00 C ATOM 968 O HIS A 66 -2.008 7.886 -28.234 1.00 0.00 O ATOM 969 CB HIS A 66 0.407 7.220 -27.094 1.00 0.00 C ATOM 970 CG HIS A 66 0.299 5.929 -27.845 1.00 0.00 C ATOM 971 ND1 HIS A 66 0.698 4.678 -27.517 1.00 0.00 N flip ATOM 972 CD2 HIS A 66 -0.276 5.831 -29.094 1.00 0.00 C flip ATOM 973 CE1 HIS A 66 0.359 3.855 -28.563 1.00 0.00 C flip ATOM 974 NE2 HIS A 66 -0.228 4.575 -29.502 1.00 0.00 N flip ATOM 0 H HIS A 66 -0.593 6.751 -24.249 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.645 8.462 -25.693 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.521 8.037 -27.807 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.310 7.201 -26.484 1.00 0.00 H new ATOM 0 HD1 HIS A 66 1.164 4.398 -26.654 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.700 6.653 -29.652 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.543 2.792 -28.610 1.00 0.00 H new