USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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: X 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: X 51 THR OG1 : rot 78:sc= 1.09 USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ 159:sc= -0.548! (180deg=-0.833!) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 3 TYR OH : rot 180:sc= 0 USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 8 ASN : amide:sc= -5.8! K(o=-5.8!,f=-1.5) USER MOD Single : X 10 LYS NZ :NH3+ -144:sc= -0.869 (180deg=-2.53!) USER MOD Single : X 11 THR OG1 : rot -20:sc= 1.03 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.432 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot -113:sc= -3.85! USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.12) USER MOD Single : X 37 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.2!) USER MOD Single : X 44 THR OG1 : rot 180:sc= 0 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 LYS NZ :NH3+ -142:sc= 0.615 (180deg=-1.16) USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -15.394 8.007 15.973 1.00 0.00 N ATOM 2 CA MET X 1 -14.479 8.943 15.261 1.00 0.00 C ATOM 3 C MET X 1 -15.145 9.420 13.975 1.00 0.00 C ATOM 4 O MET X 1 -16.224 10.013 14.007 1.00 0.00 O ATOM 5 CB MET X 1 -13.166 8.224 14.935 1.00 0.00 C ATOM 6 CG MET X 1 -12.198 9.201 14.263 1.00 0.00 C ATOM 7 SD MET X 1 -10.693 9.340 15.260 1.00 0.00 S ATOM 8 CE MET X 1 -10.273 11.036 14.791 1.00 0.00 C ATOM 0 H1 MET X 1 -14.845 7.417 16.630 1.00 0.00 H new ATOM 0 H2 MET X 1 -16.102 8.552 16.506 1.00 0.00 H new ATOM 0 H3 MET X 1 -15.875 7.398 15.281 1.00 0.00 H new ATOM 0 HA MET X 1 -14.266 9.804 15.895 1.00 0.00 H new ATOM 0 HB2 MET X 1 -12.722 7.826 15.847 1.00 0.00 H new ATOM 0 HB3 MET X 1 -13.358 7.376 14.277 1.00 0.00 H new ATOM 0 HG2 MET X 1 -11.952 8.853 13.260 1.00 0.00 H new ATOM 0 HG3 MET X 1 -12.667 10.179 14.155 1.00 0.00 H new ATOM 0 HE1 MET X 1 -9.357 11.338 15.300 1.00 0.00 H new ATOM 0 HE2 MET X 1 -10.124 11.089 13.713 1.00 0.00 H new ATOM 0 HE3 MET X 1 -11.085 11.704 15.078 1.00 0.00 H new ATOM 20 N GLN X 2 -14.500 9.153 12.845 1.00 0.00 N ATOM 21 CA GLN X 2 -15.043 9.558 11.554 1.00 0.00 C ATOM 22 C GLN X 2 -15.118 8.364 10.609 1.00 0.00 C ATOM 23 O GLN X 2 -14.113 7.707 10.341 1.00 0.00 O ATOM 24 CB GLN X 2 -14.171 10.654 10.935 1.00 0.00 C ATOM 25 CG GLN X 2 -14.978 11.951 10.826 1.00 0.00 C ATOM 26 CD GLN X 2 -14.148 13.026 10.133 1.00 0.00 C ATOM 27 OE1 GLN X 2 -13.385 13.737 10.785 1.00 0.00 O ATOM 28 NE2 GLN X 2 -14.254 13.187 8.841 1.00 0.00 N ATOM 0 H GLN X 2 -13.607 8.662 12.796 1.00 0.00 H new ATOM 0 HA GLN X 2 -16.049 9.947 11.710 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -13.284 10.816 11.547 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -13.826 10.344 9.949 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -15.896 11.772 10.266 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -15.272 12.291 11.819 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -14.888 12.595 8.304 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -13.703 13.904 8.370 1.00 0.00 H new ATOM 37 N TYR X 3 -16.318 8.088 10.108 1.00 0.00 N ATOM 38 CA TYR X 3 -16.512 6.969 9.194 1.00 0.00 C ATOM 39 C TYR X 3 -17.397 7.382 8.022 1.00 0.00 C ATOM 40 O TYR X 3 -18.282 8.227 8.164 1.00 0.00 O ATOM 41 CB TYR X 3 -17.157 5.795 9.934 1.00 0.00 C ATOM 42 CG TYR X 3 -16.150 5.188 10.881 1.00 0.00 C ATOM 43 CD1 TYR X 3 -16.004 5.705 12.174 1.00 0.00 C ATOM 44 CD2 TYR X 3 -15.359 4.111 10.465 1.00 0.00 C ATOM 45 CE1 TYR X 3 -15.068 5.145 13.051 1.00 0.00 C ATOM 46 CE2 TYR X 3 -14.423 3.549 11.343 1.00 0.00 C ATOM 47 CZ TYR X 3 -14.277 4.066 12.636 1.00 0.00 C ATOM 48 OH TYR X 3 -13.354 3.515 13.500 1.00 0.00 O ATOM 0 H TYR X 3 -17.164 8.619 10.317 1.00 0.00 H new ATOM 0 HA TYR X 3 -15.538 6.665 8.810 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -18.033 6.135 10.486 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -17.501 5.046 9.221 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -16.614 6.536 12.495 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -15.470 3.713 9.467 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -14.956 5.545 14.048 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -13.814 2.717 11.022 1.00 0.00 H new ATOM 0 HH TYR X 3 -12.890 2.775 13.055 1.00 0.00 H new ATOM 58 N LYS X 4 -17.151 6.778 6.864 1.00 0.00 N ATOM 59 CA LYS X 4 -17.930 7.085 5.670 1.00 0.00 C ATOM 60 C LYS X 4 -18.345 5.798 4.966 1.00 0.00 C ATOM 61 O LYS X 4 -17.588 4.828 4.931 1.00 0.00 O ATOM 62 CB LYS X 4 -17.102 7.953 4.719 1.00 0.00 C ATOM 63 CG LYS X 4 -16.186 8.864 5.536 1.00 0.00 C ATOM 64 CD LYS X 4 -15.755 10.060 4.684 1.00 0.00 C ATOM 65 CE LYS X 4 -14.969 9.564 3.468 1.00 0.00 C ATOM 66 NZ LYS X 4 -13.796 10.454 3.239 1.00 0.00 N ATOM 0 H LYS X 4 -16.423 6.077 6.727 1.00 0.00 H new ATOM 0 HA LYS X 4 -18.827 7.630 5.965 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -16.510 7.323 4.056 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -17.760 8.551 4.088 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -16.705 9.210 6.430 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -15.310 8.309 5.871 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -16.630 10.623 4.360 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -15.140 10.739 5.275 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -14.635 8.539 3.630 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -15.610 9.555 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -13.261 10.118 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -14.126 11.425 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -13.181 10.441 4.078 1.00 0.00 H new ATOM 80 N LEU X 5 -19.554 5.790 4.414 1.00 0.00 N ATOM 81 CA LEU X 5 -20.053 4.605 3.727 1.00 0.00 C ATOM 82 C LEU X 5 -20.415 4.919 2.281 1.00 0.00 C ATOM 83 O LEU X 5 -21.447 5.532 2.007 1.00 0.00 O ATOM 84 CB LEU X 5 -21.286 4.068 4.452 1.00 0.00 C ATOM 85 CG LEU X 5 -20.892 3.604 5.854 1.00 0.00 C ATOM 86 CD1 LEU X 5 -21.432 4.593 6.889 1.00 0.00 C ATOM 87 CD2 LEU X 5 -21.484 2.219 6.119 1.00 0.00 C ATOM 0 H LEU X 5 -20.199 6.580 4.428 1.00 0.00 H new ATOM 0 HA LEU X 5 -19.263 3.854 3.731 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -22.050 4.843 4.515 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -21.718 3.239 3.891 1.00 0.00 H new ATOM 0 HG LEU X 5 -19.806 3.556 5.928 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -21.151 4.263 7.889 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -21.012 5.581 6.702 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -22.518 4.641 6.814 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -21.203 1.888 7.119 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -22.570 2.267 6.045 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -21.101 1.513 5.382 1.00 0.00 H new ATOM 99 N ILE X 6 -19.568 4.479 1.357 1.00 0.00 N ATOM 100 CA ILE X 6 -19.819 4.706 -0.062 1.00 0.00 C ATOM 101 C ILE X 6 -20.359 3.433 -0.704 1.00 0.00 C ATOM 102 O ILE X 6 -19.618 2.472 -0.913 1.00 0.00 O ATOM 103 CB ILE X 6 -18.524 5.123 -0.761 1.00 0.00 C ATOM 104 CG1 ILE X 6 -18.063 6.477 -0.219 1.00 0.00 C ATOM 105 CG2 ILE X 6 -18.767 5.238 -2.267 1.00 0.00 C ATOM 106 CD1 ILE X 6 -16.536 6.493 -0.118 1.00 0.00 C ATOM 0 H ILE X 6 -18.709 3.968 1.562 1.00 0.00 H new ATOM 0 HA ILE X 6 -20.556 5.502 -0.167 1.00 0.00 H new ATOM 0 HB ILE X 6 -17.756 4.373 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -18.403 7.278 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -18.505 6.658 0.761 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -17.843 5.535 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -19.095 4.274 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -19.537 5.986 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -16.207 7.458 0.268 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -16.208 5.701 0.556 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -16.104 6.331 -1.106 1.00 0.00 H new ATOM 118 N LEU X 7 -21.651 3.428 -1.017 1.00 0.00 N ATOM 119 CA LEU X 7 -22.269 2.262 -1.636 1.00 0.00 C ATOM 120 C LEU X 7 -22.709 2.580 -3.056 1.00 0.00 C ATOM 121 O LEU X 7 -23.464 3.524 -3.286 1.00 0.00 O ATOM 122 CB LEU X 7 -23.481 1.809 -0.818 1.00 0.00 C ATOM 123 CG LEU X 7 -23.250 2.129 0.658 1.00 0.00 C ATOM 124 CD1 LEU X 7 -23.842 3.501 0.978 1.00 0.00 C ATOM 125 CD2 LEU X 7 -23.932 1.066 1.522 1.00 0.00 C ATOM 0 H LEU X 7 -22.285 4.210 -0.854 1.00 0.00 H new ATOM 0 HA LEU X 7 -21.531 1.461 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -24.381 2.311 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -23.641 0.739 -0.948 1.00 0.00 H new ATOM 0 HG LEU X 7 -22.180 2.136 0.867 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -23.678 3.731 2.031 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -23.359 4.259 0.361 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -24.912 3.493 0.771 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -23.768 1.293 2.575 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -25.002 1.060 1.314 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -23.512 0.087 1.292 1.00 0.00 H new ATOM 137 N ASN X 8 -22.238 1.785 -4.007 1.00 0.00 N ATOM 138 CA ASN X 8 -22.604 1.998 -5.397 1.00 0.00 C ATOM 139 C ASN X 8 -23.639 0.970 -5.836 1.00 0.00 C ATOM 140 O ASN X 8 -23.353 -0.226 -5.905 1.00 0.00 O ATOM 141 CB ASN X 8 -21.363 1.890 -6.286 1.00 0.00 C ATOM 142 CG ASN X 8 -21.705 2.314 -7.710 1.00 0.00 C ATOM 143 OD1 ASN X 8 -21.391 3.433 -8.118 1.00 0.00 O ATOM 144 ND2 ASN X 8 -22.333 1.482 -8.496 1.00 0.00 N ATOM 0 H ASN X 8 -21.610 0.998 -3.844 1.00 0.00 H new ATOM 0 HA ASN X 8 -23.033 2.995 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -20.566 2.521 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -20.990 0.866 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -22.565 1.758 -9.450 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -22.592 0.556 -8.156 1.00 0.00 H new ATOM 151 N GLY X 9 -24.840 1.447 -6.139 1.00 0.00 N ATOM 152 CA GLY X 9 -25.913 0.565 -6.582 1.00 0.00 C ATOM 153 C GLY X 9 -25.789 0.303 -8.077 1.00 0.00 C ATOM 154 O GLY X 9 -26.770 0.374 -8.818 1.00 0.00 O ATOM 0 H GLY X 9 -25.095 2.433 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -25.870 -0.377 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -26.880 1.017 -6.363 1.00 0.00 H new ATOM 158 N LYS X 10 -24.567 0.010 -8.507 1.00 0.00 N ATOM 159 CA LYS X 10 -24.299 -0.255 -9.915 1.00 0.00 C ATOM 160 C LYS X 10 -24.611 0.977 -10.752 1.00 0.00 C ATOM 161 O LYS X 10 -23.762 1.470 -11.494 1.00 0.00 O ATOM 162 CB LYS X 10 -25.147 -1.432 -10.400 1.00 0.00 C ATOM 163 CG LYS X 10 -24.684 -1.850 -11.797 1.00 0.00 C ATOM 164 CD LYS X 10 -24.849 -3.362 -11.958 1.00 0.00 C ATOM 165 CE LYS X 10 -26.336 -3.704 -12.065 1.00 0.00 C ATOM 166 NZ LYS X 10 -26.923 -3.798 -10.698 1.00 0.00 N ATOM 0 H LYS X 10 -23.748 -0.050 -7.902 1.00 0.00 H new ATOM 0 HA LYS X 10 -23.243 -0.503 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -25.055 -2.270 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -26.200 -1.151 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -25.266 -1.327 -12.556 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -23.641 -1.569 -11.945 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -24.321 -3.703 -12.849 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -24.406 -3.880 -11.107 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -26.855 -2.940 -12.644 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -26.466 -4.648 -12.594 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -27.639 -4.552 -10.679 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -26.172 -4.016 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -27.368 -2.892 -10.448 1.00 0.00 H new ATOM 180 N THR X 11 -25.835 1.468 -10.625 1.00 0.00 N ATOM 181 CA THR X 11 -26.258 2.644 -11.372 1.00 0.00 C ATOM 182 C THR X 11 -26.491 3.827 -10.437 1.00 0.00 C ATOM 183 O THR X 11 -26.963 4.879 -10.865 1.00 0.00 O ATOM 184 CB THR X 11 -27.544 2.340 -12.141 1.00 0.00 C ATOM 185 OG1 THR X 11 -27.956 3.499 -12.852 1.00 0.00 O ATOM 186 CG2 THR X 11 -28.641 1.925 -11.160 1.00 0.00 C ATOM 0 H THR X 11 -26.550 1.073 -10.015 1.00 0.00 H new ATOM 0 HA THR X 11 -25.466 2.904 -12.074 1.00 0.00 H new ATOM 0 HB THR X 11 -27.362 1.528 -12.845 1.00 0.00 H new ATOM 0 HG1 THR X 11 -27.541 4.292 -12.453 1.00 0.00 H new ATOM 0 HG21 THR X 11 -29.557 1.709 -11.709 1.00 0.00 H new ATOM 0 HG22 THR X 11 -28.325 1.035 -10.616 1.00 0.00 H new ATOM 0 HG23 THR X 11 -28.824 2.735 -10.454 1.00 0.00 H new ATOM 194 N LEU X 12 -26.169 3.650 -9.157 1.00 0.00 N ATOM 195 CA LEU X 12 -26.367 4.723 -8.189 1.00 0.00 C ATOM 196 C LEU X 12 -25.189 4.827 -7.225 1.00 0.00 C ATOM 197 O LEU X 12 -24.575 3.824 -6.862 1.00 0.00 O ATOM 198 CB LEU X 12 -27.654 4.482 -7.395 1.00 0.00 C ATOM 199 CG LEU X 12 -28.093 5.787 -6.726 1.00 0.00 C ATOM 200 CD1 LEU X 12 -28.401 6.836 -7.795 1.00 0.00 C ATOM 201 CD2 LEU X 12 -29.349 5.534 -5.888 1.00 0.00 C ATOM 0 H LEU X 12 -25.777 2.790 -8.773 1.00 0.00 H new ATOM 0 HA LEU X 12 -26.443 5.659 -8.742 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -28.440 4.118 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -27.490 3.712 -6.641 1.00 0.00 H new ATOM 0 HG LEU X 12 -27.291 6.149 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -28.713 7.764 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -27.508 7.019 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -29.202 6.474 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -29.662 6.463 -5.412 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -30.149 5.169 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -29.132 4.789 -5.123 1.00 0.00 H new ATOM 213 N LYS X 13 -24.894 6.055 -6.809 1.00 0.00 N ATOM 214 CA LYS X 13 -23.799 6.305 -5.878 1.00 0.00 C ATOM 215 C LYS X 13 -24.257 7.277 -4.796 1.00 0.00 C ATOM 216 O LYS X 13 -25.096 8.143 -5.047 1.00 0.00 O ATOM 217 CB LYS X 13 -22.598 6.893 -6.621 1.00 0.00 C ATOM 218 CG LYS X 13 -22.711 6.579 -8.114 1.00 0.00 C ATOM 219 CD LYS X 13 -21.586 7.289 -8.869 1.00 0.00 C ATOM 220 CE LYS X 13 -21.782 7.104 -10.375 1.00 0.00 C ATOM 221 NZ LYS X 13 -20.520 6.593 -10.978 1.00 0.00 N ATOM 0 H LYS X 13 -25.398 6.892 -7.102 1.00 0.00 H new ATOM 0 HA LYS X 13 -23.504 5.362 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -22.556 7.971 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -21.672 6.479 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -22.650 5.503 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -23.680 6.904 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -21.581 8.350 -8.620 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -20.620 6.886 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -22.597 6.406 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -22.061 8.052 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -20.651 6.466 -12.002 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -19.753 7.275 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -20.273 5.680 -10.545 1.00 0.00 H new ATOM 235 N GLY X 14 -23.717 7.130 -3.591 1.00 0.00 N ATOM 236 CA GLY X 14 -24.105 8.011 -2.495 1.00 0.00 C ATOM 237 C GLY X 14 -22.940 8.288 -1.552 1.00 0.00 C ATOM 238 O GLY X 14 -21.959 7.546 -1.517 1.00 0.00 O ATOM 0 H GLY X 14 -23.022 6.423 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -24.477 8.952 -2.900 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -24.924 7.558 -1.937 1.00 0.00 H new ATOM 242 N GLU X 15 -23.067 9.365 -0.782 1.00 0.00 N ATOM 243 CA GLU X 15 -22.036 9.745 0.175 1.00 0.00 C ATOM 244 C GLU X 15 -22.684 10.207 1.476 1.00 0.00 C ATOM 245 O GLU X 15 -23.690 10.916 1.457 1.00 0.00 O ATOM 246 CB GLU X 15 -21.176 10.872 -0.400 1.00 0.00 C ATOM 247 CG GLU X 15 -19.784 10.823 0.232 1.00 0.00 C ATOM 248 CD GLU X 15 -19.898 10.901 1.750 1.00 0.00 C ATOM 249 OE1 GLU X 15 -20.164 11.981 2.251 1.00 0.00 O ATOM 250 OE2 GLU X 15 -19.717 9.879 2.391 1.00 0.00 O ATOM 0 H GLU X 15 -23.874 9.989 -0.803 1.00 0.00 H new ATOM 0 HA GLU X 15 -21.403 8.880 0.374 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -21.100 10.770 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -21.643 11.837 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -19.277 9.902 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -19.178 11.650 -0.138 1.00 0.00 H new ATOM 257 N THR X 16 -22.111 9.799 2.603 1.00 0.00 N ATOM 258 CA THR X 16 -22.658 10.181 3.901 1.00 0.00 C ATOM 259 C THR X 16 -21.544 10.412 4.918 1.00 0.00 C ATOM 260 O THR X 16 -20.394 10.037 4.692 1.00 0.00 O ATOM 261 CB THR X 16 -23.597 9.086 4.411 1.00 0.00 C ATOM 262 OG1 THR X 16 -23.975 9.375 5.749 1.00 0.00 O ATOM 263 CG2 THR X 16 -22.886 7.731 4.360 1.00 0.00 C ATOM 0 H THR X 16 -21.278 9.211 2.646 1.00 0.00 H new ATOM 0 HA THR X 16 -23.211 11.112 3.777 1.00 0.00 H new ATOM 0 HB THR X 16 -24.486 9.049 3.781 1.00 0.00 H new ATOM 0 HG1 THR X 16 -24.578 8.676 6.077 1.00 0.00 H new ATOM 0 HG21 THR X 16 -23.558 6.954 4.724 1.00 0.00 H new ATOM 0 HG22 THR X 16 -22.598 7.510 3.332 1.00 0.00 H new ATOM 0 HG23 THR X 16 -21.995 7.764 4.987 1.00 0.00 H new ATOM 271 N THR X 17 -21.899 11.030 6.040 1.00 0.00 N ATOM 272 CA THR X 17 -20.928 11.307 7.092 1.00 0.00 C ATOM 273 C THR X 17 -21.540 11.040 8.464 1.00 0.00 C ATOM 274 O THR X 17 -22.651 11.483 8.754 1.00 0.00 O ATOM 275 CB THR X 17 -20.467 12.764 7.008 1.00 0.00 C ATOM 276 OG1 THR X 17 -21.502 13.555 6.438 1.00 0.00 O ATOM 277 CG2 THR X 17 -19.213 12.855 6.137 1.00 0.00 C ATOM 0 H THR X 17 -22.847 11.347 6.243 1.00 0.00 H new ATOM 0 HA THR X 17 -20.070 10.649 6.954 1.00 0.00 H new ATOM 0 HB THR X 17 -20.238 13.131 8.008 1.00 0.00 H new ATOM 0 HG1 THR X 17 -21.209 14.489 6.385 1.00 0.00 H new ATOM 0 HG21 THR X 17 -18.886 13.893 6.078 1.00 0.00 H new ATOM 0 HG22 THR X 17 -18.420 12.249 6.576 1.00 0.00 H new ATOM 0 HG23 THR X 17 -19.438 12.488 5.136 1.00 0.00 H new ATOM 285 N THR X 18 -20.810 10.313 9.303 1.00 0.00 N ATOM 286 CA THR X 18 -21.296 9.993 10.641 1.00 0.00 C ATOM 287 C THR X 18 -20.128 9.732 11.589 1.00 0.00 C ATOM 288 O THR X 18 -19.095 9.198 11.186 1.00 0.00 O ATOM 289 CB THR X 18 -22.199 8.759 10.590 1.00 0.00 C ATOM 290 OG1 THR X 18 -21.544 7.723 9.871 1.00 0.00 O ATOM 291 CG2 THR X 18 -23.515 9.114 9.894 1.00 0.00 C ATOM 0 H THR X 18 -19.888 9.937 9.084 1.00 0.00 H new ATOM 0 HA THR X 18 -21.867 10.845 11.011 1.00 0.00 H new ATOM 0 HB THR X 18 -22.408 8.420 11.605 1.00 0.00 H new ATOM 0 HG1 THR X 18 -22.121 6.932 9.839 1.00 0.00 H new ATOM 0 HG21 THR X 18 -24.157 8.234 9.859 1.00 0.00 H new ATOM 0 HG22 THR X 18 -24.017 9.907 10.448 1.00 0.00 H new ATOM 0 HG23 THR X 18 -23.310 9.454 8.879 1.00 0.00 H new ATOM 299 N GLU X 19 -20.305 10.111 12.851 1.00 0.00 N ATOM 300 CA GLU X 19 -19.264 9.915 13.854 1.00 0.00 C ATOM 301 C GLU X 19 -19.692 8.852 14.861 1.00 0.00 C ATOM 302 O GLU X 19 -20.642 9.049 15.619 1.00 0.00 O ATOM 303 CB GLU X 19 -18.990 11.233 14.586 1.00 0.00 C ATOM 304 CG GLU X 19 -18.556 12.299 13.578 1.00 0.00 C ATOM 305 CD GLU X 19 -17.367 13.082 14.128 1.00 0.00 C ATOM 306 OE1 GLU X 19 -17.257 13.180 15.339 1.00 0.00 O ATOM 307 OE2 GLU X 19 -16.585 13.571 13.329 1.00 0.00 O ATOM 0 H GLU X 19 -21.155 10.553 13.202 1.00 0.00 H new ATOM 0 HA GLU X 19 -18.355 9.583 13.352 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -19.886 11.560 15.114 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -18.212 11.089 15.336 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -18.287 11.829 12.632 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -19.385 12.976 13.373 1.00 0.00 H new ATOM 314 N ALA X 20 -18.989 7.724 14.863 1.00 0.00 N ATOM 315 CA ALA X 20 -19.313 6.637 15.781 1.00 0.00 C ATOM 316 C ALA X 20 -18.043 5.975 16.307 1.00 0.00 C ATOM 317 O ALA X 20 -16.950 6.202 15.785 1.00 0.00 O ATOM 318 CB ALA X 20 -20.172 5.592 15.067 1.00 0.00 C ATOM 0 H ALA X 20 -18.198 7.539 14.246 1.00 0.00 H new ATOM 0 HA ALA X 20 -19.865 7.054 16.623 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -20.410 4.783 15.758 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -21.095 6.056 14.719 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -19.624 5.191 14.215 1.00 0.00 H new ATOM 324 N VAL X 21 -18.195 5.149 17.338 1.00 0.00 N ATOM 325 CA VAL X 21 -17.055 4.453 17.923 1.00 0.00 C ATOM 326 C VAL X 21 -17.344 2.959 18.034 1.00 0.00 C ATOM 327 O VAL X 21 -16.643 2.231 18.737 1.00 0.00 O ATOM 328 CB VAL X 21 -16.744 5.015 19.312 1.00 0.00 C ATOM 329 CG1 VAL X 21 -17.918 4.735 20.253 1.00 0.00 C ATOM 330 CG2 VAL X 21 -15.481 4.344 19.860 1.00 0.00 C ATOM 0 H VAL X 21 -19.090 4.947 17.783 1.00 0.00 H new ATOM 0 HA VAL X 21 -16.193 4.604 17.273 1.00 0.00 H new ATOM 0 HB VAL X 21 -16.585 6.091 19.241 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -17.695 5.136 21.242 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -18.818 5.210 19.863 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -18.078 3.659 20.325 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -15.257 4.743 20.849 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -15.642 3.268 19.930 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -14.644 4.543 19.191 1.00 0.00 H new ATOM 340 N ASP X 22 -18.380 2.508 17.333 1.00 0.00 N ATOM 341 CA ASP X 22 -18.751 1.097 17.360 1.00 0.00 C ATOM 342 C ASP X 22 -18.593 0.480 15.974 1.00 0.00 C ATOM 343 O ASP X 22 -19.571 0.287 15.253 1.00 0.00 O ATOM 344 CB ASP X 22 -20.200 0.942 17.830 1.00 0.00 C ATOM 345 CG ASP X 22 -20.234 0.281 19.204 1.00 0.00 C ATOM 346 OD1 ASP X 22 -19.381 -0.553 19.461 1.00 0.00 O ATOM 347 OD2 ASP X 22 -21.113 0.619 19.981 1.00 0.00 O ATOM 0 H ASP X 22 -18.973 3.093 16.744 1.00 0.00 H new ATOM 0 HA ASP X 22 -18.091 0.579 18.056 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -20.683 1.918 17.875 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -20.761 0.341 17.114 1.00 0.00 H new ATOM 352 N ALA X 23 -17.352 0.177 15.608 1.00 0.00 N ATOM 353 CA ALA X 23 -17.072 -0.416 14.307 1.00 0.00 C ATOM 354 C ALA X 23 -17.527 -1.872 14.266 1.00 0.00 C ATOM 355 O ALA X 23 -18.157 -2.309 13.304 1.00 0.00 O ATOM 356 CB ALA X 23 -15.573 -0.340 14.013 1.00 0.00 C ATOM 0 H ALA X 23 -16.529 0.331 16.191 1.00 0.00 H new ATOM 0 HA ALA X 23 -17.622 0.143 13.550 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -15.370 -0.785 13.039 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -15.255 0.703 14.009 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -15.023 -0.883 14.782 1.00 0.00 H new ATOM 362 N ALA X 24 -17.202 -2.619 15.316 1.00 0.00 N ATOM 363 CA ALA X 24 -17.579 -4.027 15.386 1.00 0.00 C ATOM 364 C ALA X 24 -19.097 -4.190 15.329 1.00 0.00 C ATOM 365 O ALA X 24 -19.610 -5.048 14.613 1.00 0.00 O ATOM 366 CB ALA X 24 -17.048 -4.642 16.683 1.00 0.00 C ATOM 0 H ALA X 24 -16.683 -2.277 16.124 1.00 0.00 H new ATOM 0 HA ALA X 24 -17.142 -4.540 14.529 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -17.332 -5.693 16.730 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -15.961 -4.558 16.707 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -17.472 -4.113 17.537 1.00 0.00 H new ATOM 372 N THR X 25 -19.808 -3.367 16.092 1.00 0.00 N ATOM 373 CA THR X 25 -21.267 -3.436 16.122 1.00 0.00 C ATOM 374 C THR X 25 -21.876 -2.810 14.867 1.00 0.00 C ATOM 375 O THR X 25 -22.830 -3.339 14.299 1.00 0.00 O ATOM 376 CB THR X 25 -21.794 -2.708 17.361 1.00 0.00 C ATOM 377 OG1 THR X 25 -20.817 -1.784 17.815 1.00 0.00 O ATOM 378 CG2 THR X 25 -22.094 -3.723 18.465 1.00 0.00 C ATOM 0 H THR X 25 -19.403 -2.650 16.694 1.00 0.00 H new ATOM 0 HA THR X 25 -21.556 -4.487 16.158 1.00 0.00 H new ATOM 0 HB THR X 25 -22.709 -2.174 17.107 1.00 0.00 H new ATOM 0 HG1 THR X 25 -20.478 -2.069 18.689 1.00 0.00 H new ATOM 0 HG21 THR X 25 -22.469 -3.202 19.346 1.00 0.00 H new ATOM 0 HG22 THR X 25 -22.845 -4.430 18.114 1.00 0.00 H new ATOM 0 HG23 THR X 25 -21.182 -4.261 18.723 1.00 0.00 H new ATOM 386 N ALA X 26 -21.330 -1.671 14.455 1.00 0.00 N ATOM 387 CA ALA X 26 -21.839 -0.964 13.282 1.00 0.00 C ATOM 388 C ALA X 26 -21.618 -1.761 11.998 1.00 0.00 C ATOM 389 O ALA X 26 -22.497 -1.815 11.140 1.00 0.00 O ATOM 390 CB ALA X 26 -21.152 0.396 13.156 1.00 0.00 C ATOM 0 H ALA X 26 -20.539 -1.218 14.912 1.00 0.00 H new ATOM 0 HA ALA X 26 -22.912 -0.832 13.419 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -21.536 0.918 12.279 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -21.353 0.989 14.048 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -20.077 0.252 13.050 1.00 0.00 H new ATOM 396 N GLU X 27 -20.440 -2.360 11.860 1.00 0.00 N ATOM 397 CA GLU X 27 -20.129 -3.126 10.655 1.00 0.00 C ATOM 398 C GLU X 27 -21.149 -4.239 10.429 1.00 0.00 C ATOM 399 O GLU X 27 -21.624 -4.434 9.311 1.00 0.00 O ATOM 400 CB GLU X 27 -18.723 -3.723 10.755 1.00 0.00 C ATOM 401 CG GLU X 27 -18.761 -4.997 11.598 1.00 0.00 C ATOM 402 CD GLU X 27 -19.283 -6.162 10.762 1.00 0.00 C ATOM 403 OE1 GLU X 27 -19.133 -6.110 9.552 1.00 0.00 O ATOM 404 OE2 GLU X 27 -19.824 -7.088 11.344 1.00 0.00 O ATOM 0 H GLU X 27 -19.694 -2.332 12.555 1.00 0.00 H new ATOM 0 HA GLU X 27 -20.172 -2.445 9.805 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -18.341 -3.946 9.759 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -18.042 -3.000 11.203 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -17.763 -5.225 11.971 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -19.400 -4.848 12.468 1.00 0.00 H new ATOM 411 N LYS X 28 -21.485 -4.967 11.489 1.00 0.00 N ATOM 412 CA LYS X 28 -22.454 -6.053 11.376 1.00 0.00 C ATOM 413 C LYS X 28 -23.851 -5.496 11.115 1.00 0.00 C ATOM 414 O LYS X 28 -24.609 -6.037 10.311 1.00 0.00 O ATOM 415 CB LYS X 28 -22.465 -6.880 12.664 1.00 0.00 C ATOM 416 CG LYS X 28 -22.558 -8.367 12.315 1.00 0.00 C ATOM 417 CD LYS X 28 -22.631 -9.190 13.602 1.00 0.00 C ATOM 418 CE LYS X 28 -23.134 -10.598 13.278 1.00 0.00 C ATOM 419 NZ LYS X 28 -22.691 -11.545 14.340 1.00 0.00 N ATOM 0 H LYS X 28 -21.106 -4.828 12.426 1.00 0.00 H new ATOM 0 HA LYS X 28 -22.165 -6.689 10.539 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -21.560 -6.687 13.241 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -23.309 -6.589 13.289 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -23.440 -8.553 11.702 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -21.691 -8.668 11.727 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -21.648 -9.242 14.070 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -23.299 -8.709 14.317 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -24.222 -10.599 13.207 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -22.751 -10.918 12.309 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -23.034 -12.501 14.118 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -21.652 -11.552 14.387 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -23.077 -11.243 15.257 1.00 0.00 H new ATOM 433 N VAL X 29 -24.177 -4.413 11.808 1.00 0.00 N ATOM 434 CA VAL X 29 -25.482 -3.773 11.668 1.00 0.00 C ATOM 435 C VAL X 29 -25.642 -3.120 10.296 1.00 0.00 C ATOM 436 O VAL X 29 -26.725 -3.150 9.709 1.00 0.00 O ATOM 437 CB VAL X 29 -25.657 -2.716 12.758 1.00 0.00 C ATOM 438 CG1 VAL X 29 -27.067 -2.131 12.683 1.00 0.00 C ATOM 439 CG2 VAL X 29 -25.448 -3.364 14.129 1.00 0.00 C ATOM 0 H VAL X 29 -23.555 -3.957 12.475 1.00 0.00 H new ATOM 0 HA VAL X 29 -26.246 -4.544 11.769 1.00 0.00 H new ATOM 0 HB VAL X 29 -24.927 -1.920 12.613 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -27.190 -1.377 13.461 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -27.219 -1.672 11.706 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -27.799 -2.926 12.828 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -25.572 -2.613 14.909 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -26.180 -4.159 14.271 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -24.443 -3.782 14.184 1.00 0.00 H new ATOM 449 N PHE X 30 -24.573 -2.503 9.805 1.00 0.00 N ATOM 450 CA PHE X 30 -24.619 -1.812 8.520 1.00 0.00 C ATOM 451 C PHE X 30 -24.966 -2.770 7.377 1.00 0.00 C ATOM 452 O PHE X 30 -25.658 -2.387 6.432 1.00 0.00 O ATOM 453 CB PHE X 30 -23.266 -1.127 8.257 1.00 0.00 C ATOM 454 CG PHE X 30 -22.777 -1.427 6.858 1.00 0.00 C ATOM 455 CD1 PHE X 30 -23.226 -0.657 5.779 1.00 0.00 C ATOM 456 CD2 PHE X 30 -21.874 -2.474 6.644 1.00 0.00 C ATOM 457 CE1 PHE X 30 -22.772 -0.938 4.485 1.00 0.00 C ATOM 458 CE2 PHE X 30 -21.420 -2.754 5.350 1.00 0.00 C ATOM 459 CZ PHE X 30 -21.869 -1.986 4.270 1.00 0.00 C ATOM 0 H PHE X 30 -23.668 -2.467 10.274 1.00 0.00 H new ATOM 0 HA PHE X 30 -25.406 -1.059 8.563 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -23.367 -0.050 8.389 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -22.531 -1.470 8.986 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -23.921 0.153 5.944 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -21.527 -3.066 7.478 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -23.119 -0.345 3.651 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -20.723 -3.563 5.185 1.00 0.00 H new ATOM 0 HZ PHE X 30 -21.519 -2.202 3.271 1.00 0.00 H new ATOM 469 N LYS X 31 -24.494 -4.008 7.462 1.00 0.00 N ATOM 470 CA LYS X 31 -24.779 -4.987 6.419 1.00 0.00 C ATOM 471 C LYS X 31 -26.263 -5.336 6.424 1.00 0.00 C ATOM 472 O LYS X 31 -26.846 -5.642 5.384 1.00 0.00 O ATOM 473 CB LYS X 31 -23.950 -6.254 6.645 1.00 0.00 C ATOM 474 CG LYS X 31 -23.072 -6.516 5.418 1.00 0.00 C ATOM 475 CD LYS X 31 -22.346 -7.851 5.586 1.00 0.00 C ATOM 476 CE LYS X 31 -21.076 -7.639 6.413 1.00 0.00 C ATOM 477 NZ LYS X 31 -20.974 -8.706 7.447 1.00 0.00 N ATOM 0 H LYS X 31 -23.920 -4.355 8.231 1.00 0.00 H new ATOM 0 HA LYS X 31 -24.515 -4.557 5.453 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -23.328 -6.141 7.533 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -24.608 -7.105 6.823 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -23.684 -6.534 4.517 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -22.349 -5.710 5.296 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -22.998 -8.572 6.079 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -22.093 -8.265 4.610 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -20.200 -7.660 5.765 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -21.098 -6.658 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -20.111 -8.563 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -21.805 -8.665 8.071 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -20.935 -9.636 6.983 1.00 0.00 H new ATOM 491 N GLN X 32 -26.862 -5.282 7.605 1.00 0.00 N ATOM 492 CA GLN X 32 -28.281 -5.586 7.754 1.00 0.00 C ATOM 493 C GLN X 32 -29.130 -4.476 7.140 1.00 0.00 C ATOM 494 O GLN X 32 -30.042 -4.739 6.358 1.00 0.00 O ATOM 495 CB GLN X 32 -28.630 -5.741 9.237 1.00 0.00 C ATOM 496 CG GLN X 32 -29.816 -6.694 9.389 1.00 0.00 C ATOM 497 CD GLN X 32 -30.279 -6.725 10.842 1.00 0.00 C ATOM 498 OE1 GLN X 32 -31.408 -6.336 11.143 1.00 0.00 O ATOM 499 NE2 GLN X 32 -29.471 -7.165 11.768 1.00 0.00 N ATOM 0 H GLN X 32 -26.390 -5.031 8.474 1.00 0.00 H new ATOM 0 HA GLN X 32 -28.492 -6.521 7.234 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -27.770 -6.125 9.785 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -28.874 -4.770 9.667 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -30.635 -6.374 8.745 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -29.531 -7.696 9.068 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -28.536 -7.487 11.518 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -29.775 -7.187 12.742 1.00 0.00 H new ATOM 508 N TYR X 33 -28.819 -3.233 7.499 1.00 0.00 N ATOM 509 CA TYR X 33 -29.558 -2.090 6.975 1.00 0.00 C ATOM 510 C TYR X 33 -29.401 -2.008 5.459 1.00 0.00 C ATOM 511 O TYR X 33 -30.366 -1.761 4.737 1.00 0.00 O ATOM 512 CB TYR X 33 -29.058 -0.797 7.646 1.00 0.00 C ATOM 513 CG TYR X 33 -28.614 0.212 6.607 1.00 0.00 C ATOM 514 CD1 TYR X 33 -29.539 0.739 5.698 1.00 0.00 C ATOM 515 CD2 TYR X 33 -27.275 0.622 6.558 1.00 0.00 C ATOM 516 CE1 TYR X 33 -29.126 1.673 4.740 1.00 0.00 C ATOM 517 CE2 TYR X 33 -26.863 1.556 5.599 1.00 0.00 C ATOM 518 CZ TYR X 33 -27.788 2.081 4.691 1.00 0.00 C ATOM 519 OH TYR X 33 -27.382 3.003 3.747 1.00 0.00 O ATOM 0 H TYR X 33 -28.067 -2.994 8.145 1.00 0.00 H new ATOM 0 HA TYR X 33 -30.617 -2.214 7.200 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -29.852 -0.369 8.258 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -28.228 -1.026 8.314 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -30.572 0.425 5.736 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -26.561 0.218 7.260 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -29.840 2.079 4.039 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -25.831 1.871 5.561 1.00 0.00 H new ATOM 0 HH TYR X 33 -26.423 3.177 3.851 1.00 0.00 H new ATOM 529 N ALA X 34 -28.178 -2.219 4.984 1.00 0.00 N ATOM 530 CA ALA X 34 -27.910 -2.168 3.557 1.00 0.00 C ATOM 531 C ALA X 34 -28.713 -3.241 2.831 1.00 0.00 C ATOM 532 O ALA X 34 -29.342 -2.973 1.805 1.00 0.00 O ATOM 533 CB ALA X 34 -26.417 -2.378 3.298 1.00 0.00 C ATOM 0 H ALA X 34 -27.364 -2.425 5.564 1.00 0.00 H new ATOM 0 HA ALA X 34 -28.206 -1.189 3.181 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -26.225 -2.338 2.226 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -25.847 -1.595 3.798 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -26.114 -3.351 3.685 1.00 0.00 H new ATOM 539 N ASN X 35 -28.693 -4.453 3.373 1.00 0.00 N ATOM 540 CA ASN X 35 -29.432 -5.557 2.769 1.00 0.00 C ATOM 541 C ASN X 35 -30.914 -5.208 2.675 1.00 0.00 C ATOM 542 O ASN X 35 -31.550 -5.423 1.643 1.00 0.00 O ATOM 543 CB ASN X 35 -29.256 -6.825 3.607 1.00 0.00 C ATOM 544 CG ASN X 35 -29.276 -8.054 2.703 1.00 0.00 C ATOM 545 OD1 ASN X 35 -28.885 -9.142 3.126 1.00 0.00 O ATOM 546 ND2 ASN X 35 -29.708 -7.945 1.476 1.00 0.00 N ATOM 0 H ASN X 35 -28.179 -4.696 4.220 1.00 0.00 H new ATOM 0 HA ASN X 35 -29.042 -5.731 1.766 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -28.315 -6.781 4.155 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -30.053 -6.895 4.348 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -29.722 -8.762 0.866 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -30.032 -7.043 1.128 1.00 0.00 H new ATOM 553 N ASP X 36 -31.457 -4.671 3.765 1.00 0.00 N ATOM 554 CA ASP X 36 -32.866 -4.294 3.804 1.00 0.00 C ATOM 555 C ASP X 36 -33.153 -3.140 2.847 1.00 0.00 C ATOM 556 O ASP X 36 -34.269 -3.006 2.343 1.00 0.00 O ATOM 557 CB ASP X 36 -33.255 -3.881 5.226 1.00 0.00 C ATOM 558 CG ASP X 36 -33.782 -5.087 5.995 1.00 0.00 C ATOM 559 OD1 ASP X 36 -34.941 -5.420 5.813 1.00 0.00 O ATOM 560 OD2 ASP X 36 -33.020 -5.659 6.756 1.00 0.00 O ATOM 0 H ASP X 36 -30.945 -4.488 4.628 1.00 0.00 H new ATOM 0 HA ASP X 36 -33.455 -5.157 3.494 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -32.391 -3.461 5.740 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -34.016 -3.101 5.191 1.00 0.00 H new ATOM 565 N ASN X 37 -32.149 -2.305 2.604 1.00 0.00 N ATOM 566 CA ASN X 37 -32.325 -1.166 1.710 1.00 0.00 C ATOM 567 C ASN X 37 -32.078 -1.574 0.262 1.00 0.00 C ATOM 568 O ASN X 37 -32.357 -0.813 -0.664 1.00 0.00 O ATOM 569 CB ASN X 37 -31.362 -0.044 2.098 1.00 0.00 C ATOM 570 CG ASN X 37 -32.113 1.055 2.844 1.00 0.00 C ATOM 571 OD1 ASN X 37 -31.900 1.250 4.041 1.00 0.00 O ATOM 572 ND2 ASN X 37 -32.986 1.787 2.206 1.00 0.00 N ATOM 0 H ASN X 37 -31.216 -2.393 3.007 1.00 0.00 H new ATOM 0 HA ASN X 37 -33.352 -0.812 1.803 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -30.563 -0.440 2.725 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -30.892 0.368 1.205 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -33.493 2.522 2.699 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -33.161 1.624 1.214 1.00 0.00 H new ATOM 579 N GLY X 38 -31.572 -2.787 0.074 1.00 0.00 N ATOM 580 CA GLY X 38 -31.310 -3.296 -1.265 1.00 0.00 C ATOM 581 C GLY X 38 -29.952 -2.845 -1.798 1.00 0.00 C ATOM 582 O GLY X 38 -29.706 -2.912 -3.002 1.00 0.00 O ATOM 0 H GLY X 38 -31.336 -3.433 0.828 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.350 -4.385 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -32.095 -2.956 -1.941 1.00 0.00 H new ATOM 586 N VAL X 39 -29.065 -2.398 -0.912 1.00 0.00 N ATOM 587 CA VAL X 39 -27.741 -1.964 -1.354 1.00 0.00 C ATOM 588 C VAL X 39 -26.721 -3.073 -1.116 1.00 0.00 C ATOM 589 O VAL X 39 -26.368 -3.373 0.024 1.00 0.00 O ATOM 590 CB VAL X 39 -27.318 -0.694 -0.612 1.00 0.00 C ATOM 591 CG1 VAL X 39 -28.084 0.505 -1.172 1.00 0.00 C ATOM 592 CG2 VAL X 39 -27.633 -0.845 0.874 1.00 0.00 C ATOM 0 H VAL X 39 -29.231 -2.327 0.092 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.785 -1.744 -2.421 1.00 0.00 H new ATOM 0 HB VAL X 39 -26.248 -0.537 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -27.782 1.409 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -27.862 0.615 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -29.154 0.347 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -27.332 0.059 1.403 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.704 -1.003 1.005 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -27.089 -1.699 1.276 1.00 0.00 H new ATOM 602 N ASP X 40 -26.258 -3.684 -2.203 1.00 0.00 N ATOM 603 CA ASP X 40 -25.288 -4.766 -2.105 1.00 0.00 C ATOM 604 C ASP X 40 -24.060 -4.486 -2.965 1.00 0.00 C ATOM 605 O ASP X 40 -24.056 -3.575 -3.793 1.00 0.00 O ATOM 606 CB ASP X 40 -25.925 -6.086 -2.539 1.00 0.00 C ATOM 607 CG ASP X 40 -25.165 -7.254 -1.920 1.00 0.00 C ATOM 608 OD1 ASP X 40 -24.148 -7.006 -1.294 1.00 0.00 O ATOM 609 OD2 ASP X 40 -25.612 -8.378 -2.080 1.00 0.00 O ATOM 0 H ASP X 40 -26.538 -3.449 -3.155 1.00 0.00 H new ATOM 0 HA ASP X 40 -24.972 -4.838 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -26.970 -6.115 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -25.912 -6.167 -3.626 1.00 0.00 H new ATOM 614 N GLY X 41 -23.023 -5.283 -2.751 1.00 0.00 N ATOM 615 CA GLY X 41 -21.776 -5.143 -3.490 1.00 0.00 C ATOM 616 C GLY X 41 -20.633 -5.770 -2.703 1.00 0.00 C ATOM 617 O GLY X 41 -20.854 -6.665 -1.886 1.00 0.00 O ATOM 0 H GLY X 41 -23.021 -6.039 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.865 -5.624 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.568 -4.089 -3.673 1.00 0.00 H new ATOM 621 N GLU X 42 -19.418 -5.291 -2.931 1.00 0.00 N ATOM 622 CA GLU X 42 -18.266 -5.816 -2.209 1.00 0.00 C ATOM 623 C GLU X 42 -17.966 -4.922 -1.015 1.00 0.00 C ATOM 624 O GLU X 42 -17.626 -3.753 -1.181 1.00 0.00 O ATOM 625 CB GLU X 42 -17.046 -5.876 -3.131 1.00 0.00 C ATOM 626 CG GLU X 42 -17.412 -6.618 -4.416 1.00 0.00 C ATOM 627 CD GLU X 42 -16.651 -6.024 -5.595 1.00 0.00 C ATOM 628 OE1 GLU X 42 -15.792 -5.191 -5.360 1.00 0.00 O ATOM 629 OE2 GLU X 42 -16.938 -6.410 -6.717 1.00 0.00 O ATOM 0 H GLU X 42 -19.205 -4.551 -3.600 1.00 0.00 H new ATOM 0 HA GLU X 42 -18.492 -6.824 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -16.705 -4.868 -3.366 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -16.222 -6.383 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -17.174 -7.677 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -18.485 -6.548 -4.593 1.00 0.00 H new ATOM 636 N TRP X 43 -18.096 -5.467 0.190 1.00 0.00 N ATOM 637 CA TRP X 43 -17.845 -4.675 1.387 1.00 0.00 C ATOM 638 C TRP X 43 -16.496 -5.020 2.008 1.00 0.00 C ATOM 639 O TRP X 43 -16.023 -6.153 1.918 1.00 0.00 O ATOM 640 CB TRP X 43 -18.944 -4.905 2.433 1.00 0.00 C ATOM 641 CG TRP X 43 -20.131 -5.582 1.818 1.00 0.00 C ATOM 642 CD1 TRP X 43 -21.304 -4.973 1.524 1.00 0.00 C ATOM 643 CD2 TRP X 43 -20.292 -6.982 1.442 1.00 0.00 C ATOM 644 NE1 TRP X 43 -22.175 -5.908 0.993 1.00 0.00 N ATOM 645 CE2 TRP X 43 -21.596 -7.161 0.917 1.00 0.00 C ATOM 646 CE3 TRP X 43 -19.442 -8.102 1.500 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -22.040 -8.407 0.471 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -19.887 -9.357 1.050 1.00 0.00 C ATOM 649 CH2 TRP X 43 -21.182 -9.508 0.535 1.00 0.00 C ATOM 0 H TRP X 43 -18.368 -6.435 0.362 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.841 -3.628 1.083 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.554 -5.514 3.248 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -19.247 -3.951 2.865 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -21.524 -3.927 1.679 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -23.127 -5.698 0.694 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -18.441 -7.997 1.893 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -23.040 -8.519 0.079 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -19.227 -10.210 1.101 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -21.516 -10.475 0.188 1.00 0.00 H new ATOM 660 N THR X 44 -15.893 -4.024 2.648 1.00 0.00 N ATOM 661 CA THR X 44 -14.604 -4.203 3.302 1.00 0.00 C ATOM 662 C THR X 44 -14.497 -3.255 4.490 1.00 0.00 C ATOM 663 O THR X 44 -14.913 -2.098 4.410 1.00 0.00 O ATOM 664 CB THR X 44 -13.463 -3.927 2.320 1.00 0.00 C ATOM 665 OG1 THR X 44 -13.932 -3.085 1.276 1.00 0.00 O ATOM 666 CG2 THR X 44 -12.964 -5.248 1.731 1.00 0.00 C ATOM 0 H THR X 44 -16.278 -3.083 2.727 1.00 0.00 H new ATOM 0 HA THR X 44 -14.527 -5.234 3.648 1.00 0.00 H new ATOM 0 HB THR X 44 -12.644 -3.434 2.843 1.00 0.00 H new ATOM 0 HG1 THR X 44 -13.202 -2.906 0.647 1.00 0.00 H new ATOM 0 HG21 THR X 44 -12.151 -5.051 1.032 1.00 0.00 H new ATOM 0 HG22 THR X 44 -12.604 -5.891 2.534 1.00 0.00 H new ATOM 0 HG23 THR X 44 -13.781 -5.744 1.207 1.00 0.00 H new ATOM 674 N TYR X 45 -13.952 -3.750 5.592 1.00 0.00 N ATOM 675 CA TYR X 45 -13.815 -2.933 6.791 1.00 0.00 C ATOM 676 C TYR X 45 -12.439 -2.277 6.853 1.00 0.00 C ATOM 677 O TYR X 45 -11.450 -2.920 7.203 1.00 0.00 O ATOM 678 CB TYR X 45 -14.026 -3.802 8.029 1.00 0.00 C ATOM 679 CG TYR X 45 -14.597 -5.137 7.611 1.00 0.00 C ATOM 680 CD1 TYR X 45 -13.739 -6.172 7.220 1.00 0.00 C ATOM 681 CD2 TYR X 45 -15.982 -5.338 7.613 1.00 0.00 C ATOM 682 CE1 TYR X 45 -14.268 -7.409 6.830 1.00 0.00 C ATOM 683 CE2 TYR X 45 -16.511 -6.575 7.223 1.00 0.00 C ATOM 684 CZ TYR X 45 -15.654 -7.611 6.831 1.00 0.00 C ATOM 685 OH TYR X 45 -16.174 -8.830 6.449 1.00 0.00 O ATOM 0 H TYR X 45 -13.600 -4.703 5.682 1.00 0.00 H new ATOM 0 HA TYR X 45 -14.568 -2.146 6.759 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -13.080 -3.946 8.552 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -14.703 -3.306 8.725 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -12.670 -6.017 7.219 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -16.643 -4.539 7.915 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -13.607 -8.208 6.528 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -17.580 -6.730 7.225 1.00 0.00 H new ATOM 0 HH TYR X 45 -17.152 -8.802 6.508 1.00 0.00 H new ATOM 695 N ASP X 46 -12.386 -0.989 6.520 1.00 0.00 N ATOM 696 CA ASP X 46 -11.127 -0.252 6.553 1.00 0.00 C ATOM 697 C ASP X 46 -11.031 0.570 7.836 1.00 0.00 C ATOM 698 O ASP X 46 -11.868 1.434 8.093 1.00 0.00 O ATOM 699 CB ASP X 46 -11.030 0.676 5.340 1.00 0.00 C ATOM 700 CG ASP X 46 -9.965 0.165 4.374 1.00 0.00 C ATOM 701 OD1 ASP X 46 -8.967 -0.355 4.844 1.00 0.00 O ATOM 702 OD2 ASP X 46 -10.164 0.303 3.178 1.00 0.00 O ATOM 0 H ASP X 46 -13.193 -0.439 6.227 1.00 0.00 H new ATOM 0 HA ASP X 46 -10.304 -0.967 6.525 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -11.995 0.730 4.835 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -10.783 1.687 5.664 1.00 0.00 H new ATOM 707 N ASP X 47 -10.009 0.293 8.638 1.00 0.00 N ATOM 708 CA ASP X 47 -9.820 1.013 9.893 1.00 0.00 C ATOM 709 C ASP X 47 -8.757 2.097 9.738 1.00 0.00 C ATOM 710 O ASP X 47 -8.735 3.070 10.491 1.00 0.00 O ATOM 711 CB ASP X 47 -9.398 0.040 10.994 1.00 0.00 C ATOM 712 CG ASP X 47 -10.582 -0.829 11.405 1.00 0.00 C ATOM 713 OD1 ASP X 47 -11.212 -1.390 10.526 1.00 0.00 O ATOM 714 OD2 ASP X 47 -10.839 -0.920 12.595 1.00 0.00 O ATOM 0 H ASP X 47 -9.304 -0.418 8.445 1.00 0.00 H new ATOM 0 HA ASP X 47 -10.765 1.483 10.164 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -8.580 -0.589 10.641 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -9.026 0.593 11.856 1.00 0.00 H new ATOM 719 N ALA X 48 -7.875 1.919 8.761 1.00 0.00 N ATOM 720 CA ALA X 48 -6.810 2.885 8.523 1.00 0.00 C ATOM 721 C ALA X 48 -7.366 4.164 7.902 1.00 0.00 C ATOM 722 O ALA X 48 -6.860 5.257 8.156 1.00 0.00 O ATOM 723 CB ALA X 48 -5.755 2.280 7.596 1.00 0.00 C ATOM 0 H ALA X 48 -7.876 1.121 8.126 1.00 0.00 H new ATOM 0 HA ALA X 48 -6.353 3.134 9.481 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.962 3.008 7.423 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -5.333 1.387 8.058 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -6.216 2.013 6.645 1.00 0.00 H new ATOM 729 N THR X 49 -8.409 4.022 7.088 1.00 0.00 N ATOM 730 CA THR X 49 -9.020 5.176 6.440 1.00 0.00 C ATOM 731 C THR X 49 -10.484 5.311 6.848 1.00 0.00 C ATOM 732 O THR X 49 -11.224 6.116 6.283 1.00 0.00 O ATOM 733 CB THR X 49 -8.916 5.038 4.920 1.00 0.00 C ATOM 734 OG1 THR X 49 -10.002 4.258 4.440 1.00 0.00 O ATOM 735 CG2 THR X 49 -7.594 4.357 4.559 1.00 0.00 C ATOM 0 H THR X 49 -8.844 3.127 6.864 1.00 0.00 H new ATOM 0 HA THR X 49 -8.487 6.072 6.758 1.00 0.00 H new ATOM 0 HB THR X 49 -8.950 6.026 4.461 1.00 0.00 H new ATOM 0 HG1 THR X 49 -9.937 4.171 3.466 1.00 0.00 H new ATOM 0 HG21 THR X 49 -7.519 4.258 3.476 1.00 0.00 H new ATOM 0 HG22 THR X 49 -6.763 4.958 4.927 1.00 0.00 H new ATOM 0 HG23 THR X 49 -7.557 3.368 5.017 1.00 0.00 H new ATOM 743 N LYS X 50 -10.897 4.521 7.834 1.00 0.00 N ATOM 744 CA LYS X 50 -12.276 4.565 8.308 1.00 0.00 C ATOM 745 C LYS X 50 -13.226 4.853 7.152 1.00 0.00 C ATOM 746 O LYS X 50 -13.994 5.815 7.195 1.00 0.00 O ATOM 747 CB LYS X 50 -12.426 5.651 9.375 1.00 0.00 C ATOM 748 CG LYS X 50 -11.426 5.401 10.505 1.00 0.00 C ATOM 749 CD LYS X 50 -10.688 6.701 10.832 1.00 0.00 C ATOM 750 CE LYS X 50 -9.720 6.462 11.992 1.00 0.00 C ATOM 751 NZ LYS X 50 -9.456 7.750 12.694 1.00 0.00 N ATOM 0 H LYS X 50 -10.302 3.848 8.317 1.00 0.00 H new ATOM 0 HA LYS X 50 -12.526 3.595 8.739 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -12.255 6.633 8.935 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -13.442 5.651 9.768 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -11.946 5.033 11.390 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -10.714 4.630 10.210 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -10.143 7.052 9.956 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -11.403 7.481 11.096 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -10.142 5.736 12.688 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -8.786 6.041 11.619 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -8.457 7.790 12.982 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -9.664 8.543 12.054 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -10.062 7.817 13.536 1.00 0.00 H new ATOM 765 N THR X 51 -13.169 4.020 6.119 1.00 0.00 N ATOM 766 CA THR X 51 -14.030 4.209 4.957 1.00 0.00 C ATOM 767 C THR X 51 -14.595 2.877 4.471 1.00 0.00 C ATOM 768 O THR X 51 -13.875 1.885 4.363 1.00 0.00 O ATOM 769 CB THR X 51 -13.239 4.870 3.827 1.00 0.00 C ATOM 770 OG1 THR X 51 -12.642 6.066 4.308 1.00 0.00 O ATOM 771 CG2 THR X 51 -14.181 5.197 2.667 1.00 0.00 C ATOM 0 H THR X 51 -12.544 3.216 6.062 1.00 0.00 H new ATOM 0 HA THR X 51 -14.860 4.851 5.250 1.00 0.00 H new ATOM 0 HB THR X 51 -12.462 4.190 3.479 1.00 0.00 H new ATOM 0 HG1 THR X 51 -11.846 5.845 4.836 1.00 0.00 H new ATOM 0 HG21 THR X 51 -13.617 5.668 1.862 1.00 0.00 H new ATOM 0 HG22 THR X 51 -14.639 4.278 2.300 1.00 0.00 H new ATOM 0 HG23 THR X 51 -14.959 5.878 3.011 1.00 0.00 H new ATOM 779 N PHE X 52 -15.890 2.873 4.171 1.00 0.00 N ATOM 780 CA PHE X 52 -16.554 1.669 3.686 1.00 0.00 C ATOM 781 C PHE X 52 -16.876 1.811 2.201 1.00 0.00 C ATOM 782 O PHE X 52 -17.128 2.915 1.715 1.00 0.00 O ATOM 783 CB PHE X 52 -17.845 1.431 4.472 1.00 0.00 C ATOM 784 CG PHE X 52 -17.588 0.432 5.573 1.00 0.00 C ATOM 785 CD1 PHE X 52 -17.411 -0.920 5.263 1.00 0.00 C ATOM 786 CD2 PHE X 52 -17.528 0.860 6.905 1.00 0.00 C ATOM 787 CE1 PHE X 52 -17.172 -1.847 6.285 1.00 0.00 C ATOM 788 CE2 PHE X 52 -17.289 -0.067 7.928 1.00 0.00 C ATOM 789 CZ PHE X 52 -17.110 -1.420 7.617 1.00 0.00 C ATOM 0 H PHE X 52 -16.498 3.687 4.255 1.00 0.00 H new ATOM 0 HA PHE X 52 -15.887 0.819 3.827 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -18.204 2.369 4.895 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -18.625 1.062 3.807 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -17.459 -1.249 4.236 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -17.666 1.904 7.144 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -17.035 -2.891 6.046 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -17.243 0.262 8.956 1.00 0.00 H new ATOM 0 HZ PHE X 52 -16.924 -2.135 8.405 1.00 0.00 H new ATOM 799 N THR X 53 -16.857 0.695 1.482 1.00 0.00 N ATOM 800 CA THR X 53 -17.140 0.720 0.050 1.00 0.00 C ATOM 801 C THR X 53 -17.917 -0.521 -0.377 1.00 0.00 C ATOM 802 O THR X 53 -17.590 -1.639 0.025 1.00 0.00 O ATOM 803 CB THR X 53 -15.826 0.792 -0.731 1.00 0.00 C ATOM 804 OG1 THR X 53 -15.108 1.952 -0.337 1.00 0.00 O ATOM 805 CG2 THR X 53 -16.121 0.858 -2.229 1.00 0.00 C ATOM 0 H THR X 53 -16.651 -0.230 1.861 1.00 0.00 H new ATOM 0 HA THR X 53 -17.749 1.599 -0.164 1.00 0.00 H new ATOM 0 HB THR X 53 -15.230 -0.096 -0.521 1.00 0.00 H new ATOM 0 HG1 THR X 53 -14.265 2.000 -0.835 1.00 0.00 H new ATOM 0 HG21 THR X 53 -15.183 0.909 -2.783 1.00 0.00 H new ATOM 0 HG22 THR X 53 -16.672 -0.032 -2.531 1.00 0.00 H new ATOM 0 HG23 THR X 53 -16.718 1.744 -2.444 1.00 0.00 H new ATOM 813 N VAL X 54 -18.943 -0.318 -1.201 1.00 0.00 N ATOM 814 CA VAL X 54 -19.753 -1.430 -1.683 1.00 0.00 C ATOM 815 C VAL X 54 -20.022 -1.285 -3.176 1.00 0.00 C ATOM 816 O VAL X 54 -20.558 -0.271 -3.625 1.00 0.00 O ATOM 817 CB VAL X 54 -21.079 -1.481 -0.922 1.00 0.00 C ATOM 818 CG1 VAL X 54 -21.767 -2.823 -1.184 1.00 0.00 C ATOM 819 CG2 VAL X 54 -20.809 -1.332 0.576 1.00 0.00 C ATOM 0 H VAL X 54 -19.230 0.598 -1.545 1.00 0.00 H new ATOM 0 HA VAL X 54 -19.205 -2.357 -1.513 1.00 0.00 H new ATOM 0 HB VAL X 54 -21.724 -0.670 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -22.712 -2.859 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -21.957 -2.932 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -21.123 -3.634 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -21.752 -1.368 1.121 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -20.164 -2.144 0.912 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -20.318 -0.377 0.764 1.00 0.00 H new ATOM 829 N THR X 55 -19.650 -2.308 -3.939 1.00 0.00 N ATOM 830 CA THR X 55 -19.858 -2.286 -5.382 1.00 0.00 C ATOM 831 C THR X 55 -20.648 -3.510 -5.831 1.00 0.00 C ATOM 832 O THR X 55 -20.178 -4.641 -5.706 1.00 0.00 O ATOM 833 CB THR X 55 -18.510 -2.253 -6.105 1.00 0.00 C ATOM 834 OG1 THR X 55 -17.625 -1.382 -5.414 1.00 0.00 O ATOM 835 CG2 THR X 55 -18.707 -1.752 -7.537 1.00 0.00 C ATOM 0 H THR X 55 -19.207 -3.156 -3.586 1.00 0.00 H new ATOM 0 HA THR X 55 -20.426 -1.390 -5.632 1.00 0.00 H new ATOM 0 HB THR X 55 -18.087 -3.257 -6.130 1.00 0.00 H new ATOM 0 HG1 THR X 55 -16.760 -1.361 -5.875 1.00 0.00 H new ATOM 0 HG21 THR X 55 -17.746 -1.729 -8.050 1.00 0.00 H new ATOM 0 HG22 THR X 55 -19.385 -2.421 -8.067 1.00 0.00 H new ATOM 0 HG23 THR X 55 -19.131 -0.748 -7.516 1.00 0.00 H new ATOM 843 N GLU X 56 -21.849 -3.272 -6.351 1.00 0.00 N ATOM 844 CA GLU X 56 -22.709 -4.356 -6.822 1.00 0.00 C ATOM 845 C GLU X 56 -21.897 -5.616 -7.109 1.00 0.00 C ATOM 846 O GLU X 56 -22.242 -6.653 -6.569 1.00 0.00 O ATOM 847 CB GLU X 56 -23.435 -3.922 -8.095 1.00 0.00 C ATOM 848 CG GLU X 56 -22.414 -3.401 -9.108 1.00 0.00 C ATOM 849 CD GLU X 56 -21.946 -4.536 -10.012 1.00 0.00 C ATOM 850 OE1 GLU X 56 -22.792 -5.275 -10.488 1.00 0.00 O ATOM 851 OE2 GLU X 56 -20.748 -4.648 -10.217 1.00 0.00 O ATOM 852 OXT GLU X 56 -20.943 -5.522 -7.864 1.00 0.00 O ATOM 0 H GLU X 56 -22.249 -2.340 -6.457 1.00 0.00 H new ATOM 0 HA GLU X 56 -23.433 -4.580 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -23.987 -4.762 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -24.164 -3.145 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -22.858 -2.607 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -21.561 -2.966 -8.586 1.00 0.00 H new