USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 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 8 ASN : amide:sc= -0.525 K(o=-1.1,f=1.9) USER MOD Set 1.2: X 55 THR OG1 : rot 180:sc= -0.543 USER MOD Set 2.1: X 1 MET CE :methyl -158:sc= -2.26! (180deg=-0.982) USER MOD Set 2.2: X 3 TYR OH : rot 15:sc= -2.37! USER MOD Set 2.3: X 50 LYS NZ :NH3+ -157:sc= -0.155 (180deg=-1.22!) USER MOD Single : X 1 MET N :NH3+ -174:sc= 0.108 (180deg=0.0943) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 4 LYS NZ :NH3+ -153:sc= -0.35 (180deg=-1.15) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -169:sc= -13! (180deg=-14.3!) USER MOD Single : X 16 THR OG1 : rot -150:sc= -1.44 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 180:sc= 0 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= -2.03! C(o=-2!,f=-2!) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc=-0.000796 X(o=-0.0008,f=0) USER MOD Single : X 37 ASN : amide:sc= -13.7! C(o=-14!,f=-25!) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.0529 USER MOD Single : X 45 TYR OH : rot 59:sc= 0.262 USER MOD Single : X 49 THR OG1 : rot -106:sc= 0.45 USER MOD Single : X 51 THR OG1 : rot 75:sc= 1.15 USER MOD Single : X 53 THR OG1 : rot 180:sc= -2.85! USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 26.357 -11.587 -3.085 1.00 0.00 N ATOM 2 CA MET X 1 26.916 -10.405 -3.805 1.00 0.00 C ATOM 3 C MET X 1 25.877 -9.906 -4.817 1.00 0.00 C ATOM 4 O MET X 1 24.840 -10.540 -5.014 1.00 0.00 O ATOM 5 CB MET X 1 28.262 -10.811 -4.476 1.00 0.00 C ATOM 6 CG MET X 1 28.114 -11.026 -5.994 1.00 0.00 C ATOM 7 SD MET X 1 26.808 -12.239 -6.320 1.00 0.00 S ATOM 8 CE MET X 1 27.760 -13.734 -5.952 1.00 0.00 C ATOM 0 H1 MET X 1 27.009 -11.872 -2.327 1.00 0.00 H new ATOM 0 H2 MET X 1 25.435 -11.338 -2.673 1.00 0.00 H new ATOM 0 H3 MET X 1 26.237 -12.375 -3.753 1.00 0.00 H new ATOM 0 HA MET X 1 27.128 -9.585 -3.119 1.00 0.00 H new ATOM 0 HB2 MET X 1 29.006 -10.036 -4.291 1.00 0.00 H new ATOM 0 HB3 MET X 1 28.634 -11.726 -4.016 1.00 0.00 H new ATOM 0 HG2 MET X 1 27.875 -10.081 -6.482 1.00 0.00 H new ATOM 0 HG3 MET X 1 29.058 -11.373 -6.415 1.00 0.00 H new ATOM 0 HE1 MET X 1 27.299 -14.589 -6.446 1.00 0.00 H new ATOM 0 HE2 MET X 1 28.781 -13.613 -6.313 1.00 0.00 H new ATOM 0 HE3 MET X 1 27.773 -13.901 -4.875 1.00 0.00 H new ATOM 20 N GLN X 2 26.160 -8.767 -5.454 1.00 0.00 N ATOM 21 CA GLN X 2 25.246 -8.190 -6.443 1.00 0.00 C ATOM 22 C GLN X 2 25.972 -7.933 -7.760 1.00 0.00 C ATOM 23 O GLN X 2 27.155 -7.593 -7.774 1.00 0.00 O ATOM 24 CB GLN X 2 24.677 -6.870 -5.912 1.00 0.00 C ATOM 25 CG GLN X 2 23.668 -7.159 -4.799 1.00 0.00 C ATOM 26 CD GLN X 2 23.228 -5.846 -4.137 1.00 0.00 C ATOM 27 OE1 GLN X 2 24.012 -5.222 -3.422 1.00 0.00 O ATOM 28 NE2 GLN X 2 22.015 -5.388 -4.334 1.00 0.00 N ATOM 0 H GLN X 2 27.012 -8.227 -5.303 1.00 0.00 H new ATOM 0 HA GLN X 2 24.436 -8.898 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN X 2 25.482 -6.241 -5.533 1.00 0.00 H new ATOM 0 HB3 GLN X 2 24.195 -6.319 -6.720 1.00 0.00 H new ATOM 0 HG2 GLN X 2 22.801 -7.678 -5.208 1.00 0.00 H new ATOM 0 HG3 GLN X 2 24.113 -7.820 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN X 2 21.365 -5.904 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN X 2 21.722 -4.515 -3.895 1.00 0.00 H new ATOM 37 N TYR X 3 25.245 -8.091 -8.866 1.00 0.00 N ATOM 38 CA TYR X 3 25.804 -7.868 -10.198 1.00 0.00 C ATOM 39 C TYR X 3 25.102 -6.695 -10.850 1.00 0.00 C ATOM 40 O TYR X 3 23.894 -6.520 -10.688 1.00 0.00 O ATOM 41 CB TYR X 3 25.600 -9.101 -11.072 1.00 0.00 C ATOM 42 CG TYR X 3 26.196 -10.313 -10.404 1.00 0.00 C ATOM 43 CD1 TYR X 3 27.584 -10.497 -10.397 1.00 0.00 C ATOM 44 CD2 TYR X 3 25.362 -11.269 -9.810 1.00 0.00 C ATOM 45 CE1 TYR X 3 28.137 -11.635 -9.797 1.00 0.00 C ATOM 46 CE2 TYR X 3 25.916 -12.405 -9.208 1.00 0.00 C ATOM 47 CZ TYR X 3 27.302 -12.588 -9.203 1.00 0.00 C ATOM 48 OH TYR X 3 27.848 -13.710 -8.613 1.00 0.00 O ATOM 0 H TYR X 3 24.265 -8.373 -8.865 1.00 0.00 H new ATOM 0 HA TYR X 3 26.870 -7.665 -10.098 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.536 -9.259 -11.248 1.00 0.00 H new ATOM 0 HB3 TYR X 3 26.065 -8.947 -12.046 1.00 0.00 H new ATOM 0 HD1 TYR X 3 28.228 -9.761 -10.855 1.00 0.00 H new ATOM 0 HD2 TYR X 3 24.291 -11.130 -9.816 1.00 0.00 H new ATOM 0 HE1 TYR X 3 29.208 -11.777 -9.793 1.00 0.00 H new ATOM 0 HE2 TYR X 3 25.273 -13.140 -8.747 1.00 0.00 H new ATOM 0 HH TYR X 3 28.810 -13.576 -8.483 1.00 0.00 H new ATOM 58 N LYS X 4 25.856 -5.895 -11.593 1.00 0.00 N ATOM 59 CA LYS X 4 25.290 -4.727 -12.277 1.00 0.00 C ATOM 60 C LYS X 4 25.481 -4.856 -13.783 1.00 0.00 C ATOM 61 O LYS X 4 26.592 -5.071 -14.265 1.00 0.00 O ATOM 62 CB LYS X 4 25.981 -3.454 -11.775 1.00 0.00 C ATOM 63 CG LYS X 4 25.288 -2.209 -12.357 1.00 0.00 C ATOM 64 CD LYS X 4 26.031 -0.913 -11.907 1.00 0.00 C ATOM 65 CE LYS X 4 25.160 -0.085 -10.951 1.00 0.00 C ATOM 66 NZ LYS X 4 24.136 0.658 -11.740 1.00 0.00 N ATOM 0 H LYS X 4 26.857 -6.028 -11.740 1.00 0.00 H new ATOM 0 HA LYS X 4 24.223 -4.671 -12.061 1.00 0.00 H new ATOM 0 HB2 LYS X 4 25.951 -3.420 -10.686 1.00 0.00 H new ATOM 0 HB3 LYS X 4 27.032 -3.463 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS X 4 25.274 -2.268 -13.445 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.250 -2.174 -12.026 1.00 0.00 H new ATOM 0 HD2 LYS X 4 26.967 -1.178 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS X 4 26.288 -0.315 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS X 4 24.674 -0.737 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS X 4 25.779 0.613 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 23.863 1.521 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 24.531 0.915 -12.667 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 23.299 0.056 -11.876 1.00 0.00 H new ATOM 80 N LEU X 5 24.381 -4.715 -14.521 1.00 0.00 N ATOM 81 CA LEU X 5 24.410 -4.806 -15.982 1.00 0.00 C ATOM 82 C LEU X 5 24.212 -3.413 -16.577 1.00 0.00 C ATOM 83 O LEU X 5 23.267 -2.708 -16.222 1.00 0.00 O ATOM 84 CB LEU X 5 23.309 -5.788 -16.436 1.00 0.00 C ATOM 85 CG LEU X 5 23.026 -5.721 -17.959 1.00 0.00 C ATOM 86 CD1 LEU X 5 22.223 -4.456 -18.335 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.342 -5.779 -18.763 1.00 0.00 C ATOM 0 H LEU X 5 23.456 -4.537 -14.131 1.00 0.00 H new ATOM 0 HA LEU X 5 25.371 -5.182 -16.332 1.00 0.00 H new ATOM 0 HB2 LEU X 5 23.604 -6.803 -16.172 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.390 -5.571 -15.892 1.00 0.00 H new ATOM 0 HG LEU X 5 22.419 -6.590 -18.215 1.00 0.00 H new ATOM 0 HD11 LEU X 5 22.044 -4.445 -19.410 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.269 -4.461 -17.809 1.00 0.00 H new ATOM 0 HD13 LEU X 5 22.789 -3.568 -18.052 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.120 -5.731 -19.829 1.00 0.00 H new ATOM 0 HD22 LEU X 5 24.975 -4.936 -18.486 1.00 0.00 H new ATOM 0 HD23 LEU X 5 24.862 -6.711 -18.543 1.00 0.00 H new ATOM 99 N ILE X 6 25.118 -3.011 -17.471 1.00 0.00 N ATOM 100 CA ILE X 6 25.038 -1.689 -18.101 1.00 0.00 C ATOM 101 C ILE X 6 24.400 -1.803 -19.468 1.00 0.00 C ATOM 102 O ILE X 6 24.759 -2.672 -20.263 1.00 0.00 O ATOM 103 CB ILE X 6 26.436 -1.089 -18.267 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.198 -1.149 -16.938 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.311 0.362 -18.734 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.369 -0.515 -15.817 1.00 0.00 C ATOM 0 H ILE X 6 25.911 -3.577 -17.774 1.00 0.00 H new ATOM 0 HA ILE X 6 24.436 -1.045 -17.460 1.00 0.00 H new ATOM 0 HB ILE X 6 26.989 -1.663 -19.010 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.426 -2.185 -16.689 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.150 -0.628 -17.034 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.305 0.793 -18.853 1.00 0.00 H new ATOM 0 HG22 ILE X 6 25.785 0.393 -19.688 1.00 0.00 H new ATOM 0 HG23 ILE X 6 25.753 0.936 -17.994 1.00 0.00 H new ATOM 0 HD11 ILE X 6 26.924 -0.566 -14.880 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.164 0.527 -16.061 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.428 -1.055 -15.711 1.00 0.00 H new ATOM 118 N LEU X 7 23.438 -0.931 -19.729 1.00 0.00 N ATOM 119 CA LEU X 7 22.732 -0.947 -21.002 1.00 0.00 C ATOM 120 C LEU X 7 23.414 -0.015 -21.996 1.00 0.00 C ATOM 121 O LEU X 7 23.406 1.204 -21.836 1.00 0.00 O ATOM 122 CB LEU X 7 21.269 -0.499 -20.806 1.00 0.00 C ATOM 123 CG LEU X 7 20.385 -1.665 -20.321 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.526 -1.843 -18.805 1.00 0.00 C ATOM 125 CD2 LEU X 7 18.921 -1.355 -20.651 1.00 0.00 C ATOM 0 H LEU X 7 23.129 -0.207 -19.080 1.00 0.00 H new ATOM 0 HA LEU X 7 22.750 -1.965 -21.391 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.230 0.315 -20.082 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.877 -0.109 -21.745 1.00 0.00 H new ATOM 0 HG LEU X 7 20.700 -2.581 -20.820 1.00 0.00 H new ATOM 0 HD11 LEU X 7 19.896 -2.670 -18.476 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.566 -2.058 -18.559 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.216 -0.928 -18.301 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.290 -2.176 -20.311 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.622 -0.435 -20.149 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.809 -1.234 -21.728 1.00 0.00 H new ATOM 137 N ASN X 8 23.975 -0.611 -23.040 1.00 0.00 N ATOM 138 CA ASN X 8 24.631 0.138 -24.098 1.00 0.00 C ATOM 139 C ASN X 8 24.120 -0.380 -25.432 1.00 0.00 C ATOM 140 O ASN X 8 24.699 -1.297 -26.014 1.00 0.00 O ATOM 141 CB ASN X 8 26.143 -0.056 -24.007 1.00 0.00 C ATOM 142 CG ASN X 8 26.825 0.576 -25.216 1.00 0.00 C ATOM 143 OD1 ASN X 8 26.435 1.660 -25.654 1.00 0.00 O ATOM 144 ND2 ASN X 8 27.827 -0.037 -25.784 1.00 0.00 N ATOM 0 H ASN X 8 23.987 -1.622 -23.175 1.00 0.00 H new ATOM 0 HA ASN X 8 24.412 1.201 -24.001 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.521 0.395 -23.089 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.379 -1.119 -23.961 1.00 0.00 H new ATOM 0 HD21 ASN X 8 28.289 0.381 -26.592 1.00 0.00 H new ATOM 0 HD22 ASN X 8 28.149 -0.934 -25.420 1.00 0.00 H new ATOM 151 N GLY X 9 23.012 0.196 -25.901 1.00 0.00 N ATOM 152 CA GLY X 9 22.405 -0.234 -27.161 1.00 0.00 C ATOM 153 C GLY X 9 22.243 0.925 -28.125 1.00 0.00 C ATOM 154 O GLY X 9 22.862 1.976 -27.965 1.00 0.00 O ATOM 0 H GLY X 9 22.520 0.956 -25.431 1.00 0.00 H new ATOM 0 HA2 GLY X 9 23.024 -1.006 -27.619 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.431 -0.682 -26.963 1.00 0.00 H new ATOM 158 N LYS X 10 21.406 0.721 -29.134 1.00 0.00 N ATOM 159 CA LYS X 10 21.171 1.756 -30.130 1.00 0.00 C ATOM 160 C LYS X 10 20.258 2.858 -29.573 1.00 0.00 C ATOM 161 O LYS X 10 20.567 4.042 -29.705 1.00 0.00 O ATOM 162 CB LYS X 10 20.553 1.141 -31.398 1.00 0.00 C ATOM 163 CG LYS X 10 21.212 -0.211 -31.691 1.00 0.00 C ATOM 164 CD LYS X 10 20.640 -0.790 -32.987 1.00 0.00 C ATOM 165 CE LYS X 10 21.002 -2.274 -33.089 1.00 0.00 C ATOM 166 NZ LYS X 10 20.372 -2.856 -34.307 1.00 0.00 N ATOM 0 H LYS X 10 20.884 -0.142 -29.283 1.00 0.00 H new ATOM 0 HA LYS X 10 22.129 2.207 -30.386 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.479 1.011 -31.265 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.690 1.814 -32.244 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.291 -0.089 -31.780 1.00 0.00 H new ATOM 0 HG3 LYS X 10 21.036 -0.899 -30.864 1.00 0.00 H new ATOM 0 HD2 LYS X 10 19.557 -0.667 -33.005 1.00 0.00 H new ATOM 0 HD3 LYS X 10 21.037 -0.248 -33.846 1.00 0.00 H new ATOM 0 HE2 LYS X 10 22.085 -2.393 -33.134 1.00 0.00 H new ATOM 0 HE3 LYS X 10 20.660 -2.805 -32.201 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 20.618 -3.864 -34.377 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 19.339 -2.755 -34.246 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 20.719 -2.356 -35.150 1.00 0.00 H new ATOM 180 N THR X 11 19.127 2.472 -28.960 1.00 0.00 N ATOM 181 CA THR X 11 18.182 3.454 -28.408 1.00 0.00 C ATOM 182 C THR X 11 17.781 3.124 -26.972 1.00 0.00 C ATOM 183 O THR X 11 16.753 3.605 -26.495 1.00 0.00 O ATOM 184 CB THR X 11 16.926 3.498 -29.275 1.00 0.00 C ATOM 185 OG1 THR X 11 16.392 2.187 -29.400 1.00 0.00 O ATOM 186 CG2 THR X 11 17.285 4.037 -30.659 1.00 0.00 C ATOM 0 H THR X 11 18.848 1.499 -28.835 1.00 0.00 H new ATOM 0 HA THR X 11 18.683 4.422 -28.405 1.00 0.00 H new ATOM 0 HB THR X 11 16.185 4.149 -28.812 1.00 0.00 H new ATOM 0 HG1 THR X 11 15.585 2.214 -29.955 1.00 0.00 H new ATOM 0 HG21 THR X 11 16.390 4.069 -31.280 1.00 0.00 H new ATOM 0 HG22 THR X 11 17.697 5.042 -30.563 1.00 0.00 H new ATOM 0 HG23 THR X 11 18.025 3.385 -31.123 1.00 0.00 H new ATOM 194 N LEU X 12 18.572 2.301 -26.282 1.00 0.00 N ATOM 195 CA LEU X 12 18.248 1.927 -24.903 1.00 0.00 C ATOM 196 C LEU X 12 19.500 1.923 -24.017 1.00 0.00 C ATOM 197 O LEU X 12 20.347 1.036 -24.125 1.00 0.00 O ATOM 198 CB LEU X 12 17.579 0.535 -24.900 1.00 0.00 C ATOM 199 CG LEU X 12 16.432 0.484 -23.875 1.00 0.00 C ATOM 200 CD1 LEU X 12 15.882 -0.952 -23.774 1.00 0.00 C ATOM 201 CD2 LEU X 12 16.945 0.952 -22.498 1.00 0.00 C ATOM 0 H LEU X 12 19.429 1.886 -26.647 1.00 0.00 H new ATOM 0 HA LEU X 12 17.560 2.665 -24.491 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.195 0.309 -25.895 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.319 -0.229 -24.663 1.00 0.00 H new ATOM 0 HG LEU X 12 15.630 1.146 -24.200 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.071 -0.981 -23.047 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.508 -1.268 -24.748 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.678 -1.625 -23.456 1.00 0.00 H new ATOM 0 HD21 LEU X 12 16.131 0.915 -21.774 1.00 0.00 H new ATOM 0 HD22 LEU X 12 17.753 0.298 -22.169 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.315 1.974 -22.576 1.00 0.00 H new ATOM 213 N LYS X 13 19.594 2.917 -23.129 1.00 0.00 N ATOM 214 CA LYS X 13 20.729 3.035 -22.207 1.00 0.00 C ATOM 215 C LYS X 13 20.229 3.276 -20.777 1.00 0.00 C ATOM 216 O LYS X 13 19.275 4.021 -20.559 1.00 0.00 O ATOM 217 CB LYS X 13 21.645 4.201 -22.655 1.00 0.00 C ATOM 218 CG LYS X 13 22.671 3.740 -23.742 1.00 0.00 C ATOM 219 CD LYS X 13 22.437 4.469 -25.077 1.00 0.00 C ATOM 220 CE LYS X 13 21.211 3.882 -25.781 1.00 0.00 C ATOM 221 NZ LYS X 13 21.381 2.410 -25.941 1.00 0.00 N ATOM 0 H LYS X 13 18.896 3.654 -23.029 1.00 0.00 H new ATOM 0 HA LYS X 13 21.298 2.106 -22.223 1.00 0.00 H new ATOM 0 HB2 LYS X 13 21.035 5.013 -23.051 1.00 0.00 H new ATOM 0 HB3 LYS X 13 22.181 4.596 -21.792 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.685 3.933 -23.393 1.00 0.00 H new ATOM 0 HG3 LYS X 13 22.585 2.664 -23.893 1.00 0.00 H new ATOM 0 HD2 LYS X 13 22.290 5.534 -24.899 1.00 0.00 H new ATOM 0 HD3 LYS X 13 23.316 4.370 -25.714 1.00 0.00 H new ATOM 0 HE2 LYS X 13 20.312 4.093 -25.203 1.00 0.00 H new ATOM 0 HE3 LYS X 13 21.080 4.351 -26.756 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 20.645 2.043 -26.577 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 22.319 2.211 -26.345 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 21.298 1.948 -25.013 1.00 0.00 H new ATOM 235 N GLY X 14 20.887 2.631 -19.814 1.00 0.00 N ATOM 236 CA GLY X 14 20.515 2.765 -18.407 1.00 0.00 C ATOM 237 C GLY X 14 21.345 1.817 -17.530 1.00 0.00 C ATOM 238 O GLY X 14 22.452 1.427 -17.902 1.00 0.00 O ATOM 0 H GLY X 14 21.679 2.011 -19.983 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.667 3.794 -18.083 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.454 2.546 -18.284 1.00 0.00 H new ATOM 242 N GLU X 15 20.802 1.449 -16.359 1.00 0.00 N ATOM 243 CA GLU X 15 21.495 0.546 -15.432 1.00 0.00 C ATOM 244 C GLU X 15 20.542 -0.523 -14.916 1.00 0.00 C ATOM 245 O GLU X 15 19.342 -0.281 -14.780 1.00 0.00 O ATOM 246 CB GLU X 15 22.026 1.313 -14.223 1.00 0.00 C ATOM 247 CG GLU X 15 22.833 2.524 -14.673 1.00 0.00 C ATOM 248 CD GLU X 15 24.190 2.085 -15.206 1.00 0.00 C ATOM 249 OE1 GLU X 15 25.005 1.653 -14.408 1.00 0.00 O ATOM 250 OE2 GLU X 15 24.395 2.186 -16.405 1.00 0.00 O ATOM 0 H GLU X 15 19.888 1.763 -16.034 1.00 0.00 H new ATOM 0 HA GLU X 15 22.319 0.090 -15.980 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.195 1.635 -13.595 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.650 0.658 -13.615 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.289 3.066 -15.447 1.00 0.00 H new ATOM 0 HG3 GLU X 15 22.968 3.211 -13.838 1.00 0.00 H new ATOM 257 N THR X 16 21.081 -1.700 -14.607 1.00 0.00 N ATOM 258 CA THR X 16 20.254 -2.792 -14.077 1.00 0.00 C ATOM 259 C THR X 16 21.070 -3.659 -13.116 1.00 0.00 C ATOM 260 O THR X 16 22.165 -4.098 -13.451 1.00 0.00 O ATOM 261 CB THR X 16 19.723 -3.641 -15.239 1.00 0.00 C ATOM 262 OG1 THR X 16 19.371 -2.784 -16.312 1.00 0.00 O ATOM 263 CG2 THR X 16 18.486 -4.434 -14.806 1.00 0.00 C ATOM 0 H THR X 16 22.071 -1.925 -14.711 1.00 0.00 H new ATOM 0 HA THR X 16 19.413 -2.370 -13.527 1.00 0.00 H new ATOM 0 HB THR X 16 20.499 -4.341 -15.549 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.638 -3.185 -16.824 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.124 -5.030 -15.644 1.00 0.00 H new ATOM 0 HG22 THR X 16 18.748 -5.093 -13.978 1.00 0.00 H new ATOM 0 HG23 THR X 16 17.705 -3.744 -14.487 1.00 0.00 H new ATOM 271 N THR X 17 20.530 -3.908 -11.919 1.00 0.00 N ATOM 272 CA THR X 17 21.225 -4.730 -10.920 1.00 0.00 C ATOM 273 C THR X 17 20.281 -5.787 -10.348 1.00 0.00 C ATOM 274 O THR X 17 19.060 -5.634 -10.390 1.00 0.00 O ATOM 275 CB THR X 17 21.751 -3.840 -9.786 1.00 0.00 C ATOM 276 OG1 THR X 17 22.242 -2.625 -10.336 1.00 0.00 O ATOM 277 CG2 THR X 17 22.884 -4.552 -9.036 1.00 0.00 C ATOM 0 H THR X 17 19.621 -3.556 -11.618 1.00 0.00 H new ATOM 0 HA THR X 17 22.063 -5.232 -11.405 1.00 0.00 H new ATOM 0 HB THR X 17 20.939 -3.633 -9.089 1.00 0.00 H new ATOM 0 HG1 THR X 17 22.578 -2.052 -9.615 1.00 0.00 H new ATOM 0 HG21 THR X 17 23.249 -3.910 -8.234 1.00 0.00 H new ATOM 0 HG22 THR X 17 22.511 -5.485 -8.613 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.699 -4.767 -9.727 1.00 0.00 H new ATOM 285 N THR X 18 20.859 -6.862 -9.814 1.00 0.00 N ATOM 286 CA THR X 18 20.074 -7.942 -9.236 1.00 0.00 C ATOM 287 C THR X 18 20.881 -8.656 -8.154 1.00 0.00 C ATOM 288 O THR X 18 22.112 -8.672 -8.191 1.00 0.00 O ATOM 289 CB THR X 18 19.661 -8.937 -10.330 1.00 0.00 C ATOM 290 OG1 THR X 18 18.642 -9.789 -9.827 1.00 0.00 O ATOM 291 CG2 THR X 18 20.864 -9.785 -10.761 1.00 0.00 C ATOM 0 H THR X 18 21.868 -7.005 -9.772 1.00 0.00 H new ATOM 0 HA THR X 18 19.175 -7.522 -8.785 1.00 0.00 H new ATOM 0 HB THR X 18 19.292 -8.383 -11.193 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.374 -10.425 -10.523 1.00 0.00 H new ATOM 0 HG21 THR X 18 20.556 -10.486 -11.537 1.00 0.00 H new ATOM 0 HG22 THR X 18 21.647 -9.134 -11.150 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.245 -10.339 -9.903 1.00 0.00 H new ATOM 299 N GLU X 19 20.178 -9.242 -7.193 1.00 0.00 N ATOM 300 CA GLU X 19 20.819 -9.962 -6.092 1.00 0.00 C ATOM 301 C GLU X 19 20.689 -11.469 -6.314 1.00 0.00 C ATOM 302 O GLU X 19 19.611 -12.039 -6.148 1.00 0.00 O ATOM 303 CB GLU X 19 20.146 -9.564 -4.770 1.00 0.00 C ATOM 304 CG GLU X 19 20.594 -10.491 -3.634 1.00 0.00 C ATOM 305 CD GLU X 19 22.112 -10.613 -3.620 1.00 0.00 C ATOM 306 OE1 GLU X 19 22.751 -9.750 -3.040 1.00 0.00 O ATOM 307 OE2 GLU X 19 22.615 -11.568 -4.188 1.00 0.00 O ATOM 0 H GLU X 19 19.159 -9.234 -7.151 1.00 0.00 H new ATOM 0 HA GLU X 19 21.877 -9.704 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU X 19 20.397 -8.532 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU X 19 19.062 -9.611 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU X 19 20.245 -10.101 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU X 19 20.144 -11.476 -3.760 1.00 0.00 H new ATOM 314 N ALA X 20 21.799 -12.104 -6.701 1.00 0.00 N ATOM 315 CA ALA X 20 21.810 -13.548 -6.963 1.00 0.00 C ATOM 316 C ALA X 20 22.962 -14.229 -6.227 1.00 0.00 C ATOM 317 O ALA X 20 23.915 -13.580 -5.798 1.00 0.00 O ATOM 318 CB ALA X 20 21.956 -13.800 -8.468 1.00 0.00 C ATOM 0 H ALA X 20 22.699 -11.644 -6.840 1.00 0.00 H new ATOM 0 HA ALA X 20 20.869 -13.965 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA X 20 21.964 -14.873 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.119 -13.344 -8.996 1.00 0.00 H new ATOM 0 HB3 ALA X 20 22.890 -13.362 -8.821 1.00 0.00 H new ATOM 324 N VAL X 21 22.862 -15.549 -6.097 1.00 0.00 N ATOM 325 CA VAL X 21 23.887 -16.334 -5.429 1.00 0.00 C ATOM 326 C VAL X 21 25.018 -16.639 -6.404 1.00 0.00 C ATOM 327 O VAL X 21 26.188 -16.661 -6.028 1.00 0.00 O ATOM 328 CB VAL X 21 23.272 -17.643 -4.912 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.302 -18.198 -5.958 1.00 0.00 C ATOM 330 CG2 VAL X 21 24.372 -18.678 -4.642 1.00 0.00 C ATOM 0 H VAL X 21 22.076 -16.096 -6.448 1.00 0.00 H new ATOM 0 HA VAL X 21 24.288 -15.769 -4.588 1.00 0.00 H new ATOM 0 HB VAL X 21 22.740 -17.439 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL X 21 21.865 -19.127 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL X 21 21.510 -17.472 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL X 21 22.839 -18.391 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL X 21 23.922 -19.601 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL X 21 24.915 -18.881 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.062 -18.289 -3.893 1.00 0.00 H new ATOM 340 N ASP X 22 24.649 -16.893 -7.657 1.00 0.00 N ATOM 341 CA ASP X 22 25.633 -17.212 -8.697 1.00 0.00 C ATOM 342 C ASP X 22 25.652 -16.138 -9.776 1.00 0.00 C ATOM 343 O ASP X 22 24.674 -15.418 -9.972 1.00 0.00 O ATOM 344 CB ASP X 22 25.296 -18.557 -9.338 1.00 0.00 C ATOM 345 CG ASP X 22 26.315 -18.887 -10.424 1.00 0.00 C ATOM 346 OD1 ASP X 22 27.426 -18.389 -10.338 1.00 0.00 O ATOM 347 OD2 ASP X 22 25.969 -19.633 -11.326 1.00 0.00 O ATOM 0 H ASP X 22 23.681 -16.885 -7.979 1.00 0.00 H new ATOM 0 HA ASP X 22 26.616 -17.259 -8.228 1.00 0.00 H new ATOM 0 HB2 ASP X 22 25.294 -19.340 -8.580 1.00 0.00 H new ATOM 0 HB3 ASP X 22 24.294 -18.524 -9.766 1.00 0.00 H new ATOM 352 N ALA X 23 26.775 -16.040 -10.473 1.00 0.00 N ATOM 353 CA ALA X 23 26.924 -15.053 -11.535 1.00 0.00 C ATOM 354 C ALA X 23 26.148 -15.470 -12.784 1.00 0.00 C ATOM 355 O ALA X 23 25.502 -14.646 -13.429 1.00 0.00 O ATOM 356 CB ALA X 23 28.404 -14.885 -11.885 1.00 0.00 C ATOM 0 H ALA X 23 27.594 -16.629 -10.324 1.00 0.00 H new ATOM 0 HA ALA X 23 26.521 -14.106 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA X 23 28.508 -14.146 -12.679 1.00 0.00 H new ATOM 0 HB2 ALA X 23 28.951 -14.550 -11.003 1.00 0.00 H new ATOM 0 HB3 ALA X 23 28.809 -15.839 -12.222 1.00 0.00 H new ATOM 362 N ALA X 24 26.238 -16.751 -13.127 1.00 0.00 N ATOM 363 CA ALA X 24 25.558 -17.269 -14.314 1.00 0.00 C ATOM 364 C ALA X 24 24.022 -17.200 -14.167 1.00 0.00 C ATOM 365 O ALA X 24 23.325 -16.893 -15.134 1.00 0.00 O ATOM 366 CB ALA X 24 25.987 -18.718 -14.574 1.00 0.00 C ATOM 0 H ALA X 24 26.771 -17.447 -12.605 1.00 0.00 H new ATOM 0 HA ALA X 24 25.844 -16.643 -15.159 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.476 -19.095 -15.460 1.00 0.00 H new ATOM 0 HB2 ALA X 24 27.065 -18.755 -14.734 1.00 0.00 H new ATOM 0 HB3 ALA X 24 25.726 -19.335 -13.714 1.00 0.00 H new ATOM 372 N THR X 25 23.490 -17.494 -12.966 1.00 0.00 N ATOM 373 CA THR X 25 22.041 -17.457 -12.762 1.00 0.00 C ATOM 374 C THR X 25 21.501 -16.037 -12.967 1.00 0.00 C ATOM 375 O THR X 25 20.386 -15.856 -13.457 1.00 0.00 O ATOM 376 CB THR X 25 21.678 -17.991 -11.355 1.00 0.00 C ATOM 377 OG1 THR X 25 20.371 -18.543 -11.394 1.00 0.00 O ATOM 378 CG2 THR X 25 21.721 -16.873 -10.296 1.00 0.00 C ATOM 0 H THR X 25 24.033 -17.754 -12.142 1.00 0.00 H new ATOM 0 HA THR X 25 21.571 -18.105 -13.502 1.00 0.00 H new ATOM 0 HB THR X 25 22.410 -18.749 -11.078 1.00 0.00 H new ATOM 0 HG1 THR X 25 20.134 -18.885 -10.507 1.00 0.00 H new ATOM 0 HG21 THR X 25 21.461 -17.285 -9.321 1.00 0.00 H new ATOM 0 HG22 THR X 25 22.724 -16.449 -10.255 1.00 0.00 H new ATOM 0 HG23 THR X 25 21.008 -16.092 -10.562 1.00 0.00 H new ATOM 386 N ALA X 26 22.295 -15.040 -12.586 1.00 0.00 N ATOM 387 CA ALA X 26 21.884 -13.648 -12.733 1.00 0.00 C ATOM 388 C ALA X 26 21.807 -13.260 -14.208 1.00 0.00 C ATOM 389 O ALA X 26 20.943 -12.481 -14.613 1.00 0.00 O ATOM 390 CB ALA X 26 22.873 -12.732 -12.006 1.00 0.00 C ATOM 0 H ALA X 26 23.220 -15.169 -12.176 1.00 0.00 H new ATOM 0 HA ALA X 26 20.894 -13.533 -12.292 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.559 -11.694 -12.120 1.00 0.00 H new ATOM 0 HB2 ALA X 26 22.896 -12.989 -10.947 1.00 0.00 H new ATOM 0 HB3 ALA X 26 23.868 -12.859 -12.432 1.00 0.00 H new ATOM 396 N GLU X 27 22.720 -13.807 -15.003 1.00 0.00 N ATOM 397 CA GLU X 27 22.760 -13.515 -16.435 1.00 0.00 C ATOM 398 C GLU X 27 21.435 -13.889 -17.099 1.00 0.00 C ATOM 399 O GLU X 27 21.048 -13.303 -18.104 1.00 0.00 O ATOM 400 CB GLU X 27 23.946 -14.270 -17.096 1.00 0.00 C ATOM 401 CG GLU X 27 23.463 -15.477 -17.924 1.00 0.00 C ATOM 402 CD GLU X 27 24.646 -16.332 -18.357 1.00 0.00 C ATOM 403 OE1 GLU X 27 25.767 -15.951 -18.063 1.00 0.00 O ATOM 404 OE2 GLU X 27 24.416 -17.358 -18.977 1.00 0.00 O ATOM 0 H GLU X 27 23.441 -14.453 -14.683 1.00 0.00 H new ATOM 0 HA GLU X 27 22.911 -12.444 -16.573 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.500 -13.586 -17.739 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.636 -14.611 -16.324 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.770 -16.076 -17.334 1.00 0.00 H new ATOM 0 HG3 GLU X 27 22.917 -15.129 -18.801 1.00 0.00 H new ATOM 411 N LYS X 28 20.757 -14.882 -16.540 1.00 0.00 N ATOM 412 CA LYS X 28 19.492 -15.326 -17.111 1.00 0.00 C ATOM 413 C LYS X 28 18.515 -14.161 -17.183 1.00 0.00 C ATOM 414 O LYS X 28 17.835 -13.972 -18.190 1.00 0.00 O ATOM 415 CB LYS X 28 18.895 -16.448 -16.259 1.00 0.00 C ATOM 416 CG LYS X 28 19.842 -17.655 -16.257 1.00 0.00 C ATOM 417 CD LYS X 28 19.087 -18.906 -15.785 1.00 0.00 C ATOM 418 CE LYS X 28 18.401 -18.622 -14.436 1.00 0.00 C ATOM 419 NZ LYS X 28 17.954 -19.921 -13.782 1.00 0.00 N ATOM 0 H LYS X 28 21.054 -15.388 -15.706 1.00 0.00 H new ATOM 0 HA LYS X 28 19.675 -15.702 -18.118 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.735 -16.098 -15.239 1.00 0.00 H new ATOM 0 HB3 LYS X 28 17.921 -16.738 -16.653 1.00 0.00 H new ATOM 0 HG2 LYS X 28 20.243 -17.816 -17.258 1.00 0.00 H new ATOM 0 HG3 LYS X 28 20.691 -17.462 -15.601 1.00 0.00 H new ATOM 0 HD2 LYS X 28 18.344 -19.195 -16.528 1.00 0.00 H new ATOM 0 HD3 LYS X 28 19.778 -19.743 -15.683 1.00 0.00 H new ATOM 0 HE2 LYS X 28 19.089 -18.093 -13.776 1.00 0.00 H new ATOM 0 HE3 LYS X 28 17.541 -17.970 -14.589 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 17.493 -19.712 -12.873 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 17.282 -20.411 -14.406 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 18.781 -20.530 -13.619 1.00 0.00 H new ATOM 433 N VAL X 29 18.462 -13.377 -16.116 1.00 0.00 N ATOM 434 CA VAL X 29 17.574 -12.225 -16.077 1.00 0.00 C ATOM 435 C VAL X 29 18.066 -11.139 -17.032 1.00 0.00 C ATOM 436 O VAL X 29 17.304 -10.624 -17.846 1.00 0.00 O ATOM 437 CB VAL X 29 17.505 -11.665 -14.656 1.00 0.00 C ATOM 438 CG1 VAL X 29 16.365 -10.651 -14.561 1.00 0.00 C ATOM 439 CG2 VAL X 29 17.252 -12.809 -13.670 1.00 0.00 C ATOM 0 H VAL X 29 19.018 -13.516 -15.272 1.00 0.00 H new ATOM 0 HA VAL X 29 16.580 -12.545 -16.388 1.00 0.00 H new ATOM 0 HB VAL X 29 18.448 -11.175 -14.413 1.00 0.00 H new ATOM 0 HG11 VAL X 29 16.316 -10.252 -13.548 1.00 0.00 H new ATOM 0 HG12 VAL X 29 16.543 -9.837 -15.263 1.00 0.00 H new ATOM 0 HG13 VAL X 29 15.422 -11.140 -14.804 1.00 0.00 H new ATOM 0 HG21 VAL X 29 17.203 -12.411 -12.656 1.00 0.00 H new ATOM 0 HG22 VAL X 29 16.309 -13.298 -13.914 1.00 0.00 H new ATOM 0 HG23 VAL X 29 18.064 -13.533 -13.737 1.00 0.00 H new ATOM 449 N PHE X 30 19.346 -10.794 -16.914 1.00 0.00 N ATOM 450 CA PHE X 30 19.943 -9.759 -17.754 1.00 0.00 C ATOM 451 C PHE X 30 19.893 -10.129 -19.235 1.00 0.00 C ATOM 452 O PHE X 30 19.583 -9.288 -20.076 1.00 0.00 O ATOM 453 CB PHE X 30 21.404 -9.533 -17.351 1.00 0.00 C ATOM 454 CG PHE X 30 21.480 -8.954 -15.953 1.00 0.00 C ATOM 455 CD1 PHE X 30 20.918 -7.698 -15.675 1.00 0.00 C ATOM 456 CD2 PHE X 30 22.118 -9.672 -14.929 1.00 0.00 C ATOM 457 CE1 PHE X 30 20.996 -7.166 -14.383 1.00 0.00 C ATOM 458 CE2 PHE X 30 22.194 -9.135 -13.639 1.00 0.00 C ATOM 459 CZ PHE X 30 21.634 -7.883 -13.366 1.00 0.00 C ATOM 0 H PHE X 30 19.990 -11.216 -16.245 1.00 0.00 H new ATOM 0 HA PHE X 30 19.363 -8.848 -17.605 1.00 0.00 H new ATOM 0 HB2 PHE X 30 21.950 -10.476 -17.392 1.00 0.00 H new ATOM 0 HB3 PHE X 30 21.883 -8.857 -18.059 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.425 -7.142 -16.459 1.00 0.00 H new ATOM 0 HD2 PHE X 30 22.550 -10.640 -15.137 1.00 0.00 H new ATOM 0 HE1 PHE X 30 20.563 -6.200 -14.171 1.00 0.00 H new ATOM 0 HE2 PHE X 30 22.686 -9.688 -12.853 1.00 0.00 H new ATOM 0 HZ PHE X 30 21.694 -7.470 -12.370 1.00 0.00 H new ATOM 469 N LYS X 31 20.203 -11.384 -19.558 1.00 0.00 N ATOM 470 CA LYS X 31 20.188 -11.809 -20.956 1.00 0.00 C ATOM 471 C LYS X 31 18.756 -11.877 -21.480 1.00 0.00 C ATOM 472 O LYS X 31 18.477 -11.449 -22.601 1.00 0.00 O ATOM 473 CB LYS X 31 20.870 -13.175 -21.116 1.00 0.00 C ATOM 474 CG LYS X 31 22.387 -13.034 -20.899 1.00 0.00 C ATOM 475 CD LYS X 31 23.117 -14.225 -21.527 1.00 0.00 C ATOM 476 CE LYS X 31 24.611 -14.137 -21.206 1.00 0.00 C ATOM 477 NZ LYS X 31 25.370 -14.988 -22.162 1.00 0.00 N ATOM 0 H LYS X 31 20.462 -12.109 -18.888 1.00 0.00 H new ATOM 0 HA LYS X 31 20.741 -11.073 -21.539 1.00 0.00 H new ATOM 0 HB2 LYS X 31 20.456 -13.884 -20.399 1.00 0.00 H new ATOM 0 HB3 LYS X 31 20.672 -13.575 -22.110 1.00 0.00 H new ATOM 0 HG2 LYS X 31 22.742 -12.104 -21.343 1.00 0.00 H new ATOM 0 HG3 LYS X 31 22.607 -12.983 -19.833 1.00 0.00 H new ATOM 0 HD2 LYS X 31 22.707 -15.159 -21.144 1.00 0.00 H new ATOM 0 HD3 LYS X 31 22.966 -14.229 -22.606 1.00 0.00 H new ATOM 0 HE2 LYS X 31 24.949 -13.103 -21.274 1.00 0.00 H new ATOM 0 HE3 LYS X 31 24.795 -14.466 -20.183 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 26.386 -14.931 -21.947 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 25.053 -15.975 -22.076 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 25.202 -14.654 -23.133 1.00 0.00 H new ATOM 491 N GLN X 32 17.847 -12.398 -20.665 1.00 0.00 N ATOM 492 CA GLN X 32 16.450 -12.491 -21.067 1.00 0.00 C ATOM 493 C GLN X 32 15.811 -11.106 -21.044 1.00 0.00 C ATOM 494 O GLN X 32 14.939 -10.796 -21.856 1.00 0.00 O ATOM 495 CB GLN X 32 15.694 -13.422 -20.120 1.00 0.00 C ATOM 496 CG GLN X 32 16.207 -14.853 -20.294 1.00 0.00 C ATOM 497 CD GLN X 32 15.720 -15.724 -19.140 1.00 0.00 C ATOM 498 OE1 GLN X 32 15.958 -15.403 -17.976 1.00 0.00 O ATOM 499 NE2 GLN X 32 15.044 -16.823 -19.397 1.00 0.00 N ATOM 0 H GLN X 32 18.049 -12.759 -19.732 1.00 0.00 H new ATOM 0 HA GLN X 32 16.400 -12.894 -22.079 1.00 0.00 H new ATOM 0 HB2 GLN X 32 15.831 -13.098 -19.088 1.00 0.00 H new ATOM 0 HB3 GLN X 32 14.625 -13.380 -20.328 1.00 0.00 H new ATOM 0 HG2 GLN X 32 15.857 -15.261 -21.242 1.00 0.00 H new ATOM 0 HG3 GLN X 32 17.296 -14.856 -20.329 1.00 0.00 H new ATOM 0 HE21 GLN X 32 14.848 -17.087 -20.363 1.00 0.00 H new ATOM 0 HE22 GLN X 32 14.716 -17.411 -18.631 1.00 0.00 H new ATOM 508 N TYR X 33 16.262 -10.281 -20.106 1.00 0.00 N ATOM 509 CA TYR X 33 15.747 -8.929 -19.968 1.00 0.00 C ATOM 510 C TYR X 33 16.095 -8.094 -21.202 1.00 0.00 C ATOM 511 O TYR X 33 15.302 -7.264 -21.646 1.00 0.00 O ATOM 512 CB TYR X 33 16.358 -8.291 -18.717 1.00 0.00 C ATOM 513 CG TYR X 33 16.076 -6.809 -18.713 1.00 0.00 C ATOM 514 CD1 TYR X 33 14.753 -6.351 -18.712 1.00 0.00 C ATOM 515 CD2 TYR X 33 17.134 -5.888 -18.706 1.00 0.00 C ATOM 516 CE1 TYR X 33 14.486 -4.976 -18.706 1.00 0.00 C ATOM 517 CE2 TYR X 33 16.865 -4.513 -18.699 1.00 0.00 C ATOM 518 CZ TYR X 33 15.542 -4.058 -18.700 1.00 0.00 C ATOM 519 OH TYR X 33 15.278 -2.704 -18.693 1.00 0.00 O ATOM 0 H TYR X 33 16.985 -10.528 -19.430 1.00 0.00 H new ATOM 0 HA TYR X 33 14.662 -8.964 -19.874 1.00 0.00 H new ATOM 0 HB2 TYR X 33 15.942 -8.753 -17.821 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.434 -8.466 -18.696 1.00 0.00 H new ATOM 0 HD1 TYR X 33 13.937 -7.059 -18.716 1.00 0.00 H new ATOM 0 HD2 TYR X 33 18.155 -6.239 -18.706 1.00 0.00 H new ATOM 0 HE1 TYR X 33 13.465 -4.624 -18.706 1.00 0.00 H new ATOM 0 HE2 TYR X 33 17.680 -3.804 -18.693 1.00 0.00 H new ATOM 0 HH TYR X 33 16.122 -2.206 -18.688 1.00 0.00 H new ATOM 529 N ALA X 34 17.287 -8.316 -21.737 1.00 0.00 N ATOM 530 CA ALA X 34 17.742 -7.576 -22.909 1.00 0.00 C ATOM 531 C ALA X 34 16.792 -7.802 -24.093 1.00 0.00 C ATOM 532 O ALA X 34 16.483 -6.870 -24.833 1.00 0.00 O ATOM 533 CB ALA X 34 19.163 -8.025 -23.278 1.00 0.00 C ATOM 0 H ALA X 34 17.955 -8.999 -21.381 1.00 0.00 H new ATOM 0 HA ALA X 34 17.748 -6.511 -22.675 1.00 0.00 H new ATOM 0 HB1 ALA X 34 19.503 -7.472 -24.154 1.00 0.00 H new ATOM 0 HB2 ALA X 34 19.835 -7.830 -22.442 1.00 0.00 H new ATOM 0 HB3 ALA X 34 19.161 -9.092 -23.501 1.00 0.00 H new ATOM 539 N ASN X 35 16.319 -9.036 -24.267 1.00 0.00 N ATOM 540 CA ASN X 35 15.401 -9.327 -25.359 1.00 0.00 C ATOM 541 C ASN X 35 14.072 -8.626 -25.084 1.00 0.00 C ATOM 542 O ASN X 35 13.423 -8.109 -25.994 1.00 0.00 O ATOM 543 CB ASN X 35 15.183 -10.852 -25.486 1.00 0.00 C ATOM 544 CG ASN X 35 16.195 -11.471 -26.464 1.00 0.00 C ATOM 545 OD1 ASN X 35 15.925 -11.553 -27.663 1.00 0.00 O ATOM 546 ND2 ASN X 35 17.345 -11.915 -26.022 1.00 0.00 N ATOM 0 H ASN X 35 16.553 -9.834 -23.676 1.00 0.00 H new ATOM 0 HA ASN X 35 15.822 -8.964 -26.297 1.00 0.00 H new ATOM 0 HB2 ASN X 35 15.284 -11.321 -24.507 1.00 0.00 H new ATOM 0 HB3 ASN X 35 14.169 -11.051 -25.832 1.00 0.00 H new ATOM 0 HD21 ASN X 35 18.016 -12.328 -26.670 1.00 0.00 H new ATOM 0 HD22 ASN X 35 17.570 -11.848 -25.029 1.00 0.00 H new ATOM 553 N ASP X 36 13.679 -8.622 -23.813 1.00 0.00 N ATOM 554 CA ASP X 36 12.433 -7.995 -23.398 1.00 0.00 C ATOM 555 C ASP X 36 12.475 -6.472 -23.556 1.00 0.00 C ATOM 556 O ASP X 36 11.445 -5.848 -23.805 1.00 0.00 O ATOM 557 CB ASP X 36 12.146 -8.353 -21.936 1.00 0.00 C ATOM 558 CG ASP X 36 12.514 -9.810 -21.682 1.00 0.00 C ATOM 559 OD1 ASP X 36 12.668 -10.539 -22.647 1.00 0.00 O ATOM 560 OD2 ASP X 36 12.636 -10.175 -20.523 1.00 0.00 O ATOM 0 H ASP X 36 14.209 -9.048 -23.053 1.00 0.00 H new ATOM 0 HA ASP X 36 11.639 -8.371 -24.043 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.717 -7.703 -21.273 1.00 0.00 H new ATOM 0 HB3 ASP X 36 11.092 -8.190 -21.712 1.00 0.00 H new ATOM 565 N ASN X 37 13.658 -5.866 -23.382 1.00 0.00 N ATOM 566 CA ASN X 37 13.775 -4.411 -23.482 1.00 0.00 C ATOM 567 C ASN X 37 14.129 -3.958 -24.905 1.00 0.00 C ATOM 568 O ASN X 37 13.793 -2.839 -25.295 1.00 0.00 O ATOM 569 CB ASN X 37 14.799 -3.909 -22.458 1.00 0.00 C ATOM 570 CG ASN X 37 16.227 -4.092 -22.956 1.00 0.00 C ATOM 571 OD1 ASN X 37 16.460 -4.689 -24.003 1.00 0.00 O ATOM 572 ND2 ASN X 37 17.210 -3.599 -22.249 1.00 0.00 N ATOM 0 H ASN X 37 14.530 -6.353 -23.175 1.00 0.00 H new ATOM 0 HA ASN X 37 12.804 -3.970 -23.256 1.00 0.00 H new ATOM 0 HB2 ASN X 37 14.618 -2.855 -22.249 1.00 0.00 H new ATOM 0 HB3 ASN X 37 14.669 -4.447 -21.519 1.00 0.00 H new ATOM 0 HD21 ASN X 37 18.173 -3.710 -22.567 1.00 0.00 H new ATOM 0 HD22 ASN X 37 17.014 -3.103 -21.379 1.00 0.00 H new ATOM 579 N GLY X 38 14.765 -4.836 -25.699 1.00 0.00 N ATOM 580 CA GLY X 38 15.098 -4.502 -27.094 1.00 0.00 C ATOM 581 C GLY X 38 16.603 -4.512 -27.393 1.00 0.00 C ATOM 582 O GLY X 38 17.008 -4.910 -28.486 1.00 0.00 O ATOM 0 H GLY X 38 15.055 -5.769 -25.405 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.601 -5.212 -27.756 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.698 -3.515 -27.327 1.00 0.00 H new ATOM 586 N VAL X 39 17.430 -4.048 -26.457 1.00 0.00 N ATOM 587 CA VAL X 39 18.876 -3.995 -26.707 1.00 0.00 C ATOM 588 C VAL X 39 19.531 -5.367 -26.503 1.00 0.00 C ATOM 589 O VAL X 39 19.680 -5.839 -25.379 1.00 0.00 O ATOM 590 CB VAL X 39 19.519 -2.938 -25.787 1.00 0.00 C ATOM 591 CG1 VAL X 39 18.941 -3.054 -24.377 1.00 0.00 C ATOM 592 CG2 VAL X 39 21.039 -3.127 -25.725 1.00 0.00 C ATOM 0 H VAL X 39 17.137 -3.710 -25.540 1.00 0.00 H new ATOM 0 HA VAL X 39 19.039 -3.712 -27.747 1.00 0.00 H new ATOM 0 HB VAL X 39 19.300 -1.951 -26.195 1.00 0.00 H new ATOM 0 HG11 VAL X 39 19.400 -2.304 -23.733 1.00 0.00 H new ATOM 0 HG12 VAL X 39 17.864 -2.893 -24.411 1.00 0.00 H new ATOM 0 HG13 VAL X 39 19.147 -4.048 -23.980 1.00 0.00 H new ATOM 0 HG21 VAL X 39 21.473 -2.371 -25.071 1.00 0.00 H new ATOM 0 HG22 VAL X 39 21.267 -4.119 -25.335 1.00 0.00 H new ATOM 0 HG23 VAL X 39 21.459 -3.026 -26.726 1.00 0.00 H new ATOM 602 N ASP X 40 19.936 -5.988 -27.615 1.00 0.00 N ATOM 603 CA ASP X 40 20.595 -7.301 -27.579 1.00 0.00 C ATOM 604 C ASP X 40 21.913 -7.246 -28.364 1.00 0.00 C ATOM 605 O ASP X 40 21.895 -7.102 -29.586 1.00 0.00 O ATOM 606 CB ASP X 40 19.666 -8.361 -28.192 1.00 0.00 C ATOM 607 CG ASP X 40 20.071 -9.760 -27.736 1.00 0.00 C ATOM 608 OD1 ASP X 40 21.188 -9.908 -27.265 1.00 0.00 O ATOM 609 OD2 ASP X 40 19.261 -10.662 -27.865 1.00 0.00 O ATOM 0 H ASP X 40 19.820 -5.604 -28.553 1.00 0.00 H new ATOM 0 HA ASP X 40 20.810 -7.566 -26.544 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.635 -8.162 -27.899 1.00 0.00 H new ATOM 0 HB3 ASP X 40 19.706 -8.302 -29.280 1.00 0.00 H new ATOM 614 N GLY X 41 23.056 -7.354 -27.671 1.00 0.00 N ATOM 615 CA GLY X 41 24.357 -7.301 -28.354 1.00 0.00 C ATOM 616 C GLY X 41 25.363 -8.292 -27.754 1.00 0.00 C ATOM 617 O GLY X 41 24.976 -9.299 -27.162 1.00 0.00 O ATOM 0 H GLY X 41 23.108 -7.476 -26.660 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.220 -7.521 -29.413 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.760 -6.290 -28.288 1.00 0.00 H new ATOM 621 N GLU X 42 26.660 -7.997 -27.920 1.00 0.00 N ATOM 622 CA GLU X 42 27.703 -8.862 -27.403 1.00 0.00 C ATOM 623 C GLU X 42 27.818 -8.705 -25.892 1.00 0.00 C ATOM 624 O GLU X 42 27.756 -7.594 -25.370 1.00 0.00 O ATOM 625 CB GLU X 42 29.041 -8.526 -28.069 1.00 0.00 C ATOM 626 CG GLU X 42 28.807 -8.222 -29.550 1.00 0.00 C ATOM 627 CD GLU X 42 30.139 -8.189 -30.292 1.00 0.00 C ATOM 628 OE1 GLU X 42 30.637 -9.254 -30.623 1.00 0.00 O ATOM 629 OE2 GLU X 42 30.643 -7.102 -30.518 1.00 0.00 O ATOM 0 H GLU X 42 27.000 -7.168 -28.407 1.00 0.00 H new ATOM 0 HA GLU X 42 27.444 -9.896 -27.629 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.499 -7.668 -27.578 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.733 -9.361 -27.962 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.157 -8.980 -29.987 1.00 0.00 H new ATOM 0 HG3 GLU X 42 28.298 -7.264 -29.657 1.00 0.00 H new ATOM 636 N TRP X 43 27.957 -9.830 -25.196 1.00 0.00 N ATOM 637 CA TRP X 43 28.042 -9.831 -23.737 1.00 0.00 C ATOM 638 C TRP X 43 29.467 -10.033 -23.235 1.00 0.00 C ATOM 639 O TRP X 43 30.348 -10.506 -23.952 1.00 0.00 O ATOM 640 CB TRP X 43 27.164 -10.956 -23.187 1.00 0.00 C ATOM 641 CG TRP X 43 25.728 -10.582 -23.349 1.00 0.00 C ATOM 642 CD1 TRP X 43 24.979 -10.790 -24.458 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.862 -9.930 -22.388 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.708 -10.296 -24.234 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.586 -9.761 -22.969 1.00 0.00 C ATOM 646 CE3 TRP X 43 25.062 -9.474 -21.076 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.543 -9.159 -22.273 1.00 0.00 C ATOM 648 CZ3 TRP X 43 24.016 -8.869 -20.373 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.758 -8.710 -20.968 1.00 0.00 C ATOM 0 H TRP X 43 28.013 -10.756 -25.620 1.00 0.00 H new ATOM 0 HA TRP X 43 27.702 -8.856 -23.389 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.372 -11.887 -23.715 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.391 -11.129 -22.135 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.319 -11.264 -25.367 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.953 -10.324 -24.920 1.00 0.00 H new ATOM 0 HE3 TRP X 43 26.028 -9.591 -20.607 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.575 -9.040 -22.738 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 24.179 -8.522 -19.364 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.955 -8.241 -20.418 1.00 0.00 H new ATOM 660 N THR X 44 29.652 -9.672 -21.972 1.00 0.00 N ATOM 661 CA THR X 44 30.933 -9.801 -21.294 1.00 0.00 C ATOM 662 C THR X 44 30.678 -9.855 -19.788 1.00 0.00 C ATOM 663 O THR X 44 29.574 -9.550 -19.342 1.00 0.00 O ATOM 664 CB THR X 44 31.822 -8.606 -21.633 1.00 0.00 C ATOM 665 OG1 THR X 44 33.098 -8.778 -21.031 1.00 0.00 O ATOM 666 CG2 THR X 44 31.170 -7.334 -21.099 1.00 0.00 C ATOM 0 H THR X 44 28.914 -9.280 -21.387 1.00 0.00 H new ATOM 0 HA THR X 44 31.439 -10.710 -21.618 1.00 0.00 H new ATOM 0 HB THR X 44 31.943 -8.530 -22.714 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.669 -8.012 -21.250 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.798 -6.476 -21.337 1.00 0.00 H new ATOM 0 HG22 THR X 44 30.191 -7.206 -21.560 1.00 0.00 H new ATOM 0 HG23 THR X 44 31.054 -7.411 -20.018 1.00 0.00 H new ATOM 674 N TYR X 45 31.679 -10.234 -18.996 1.00 0.00 N ATOM 675 CA TYR X 45 31.473 -10.296 -17.556 1.00 0.00 C ATOM 676 C TYR X 45 32.768 -10.568 -16.804 1.00 0.00 C ATOM 677 O TYR X 45 33.527 -11.476 -17.144 1.00 0.00 O ATOM 678 CB TYR X 45 30.449 -11.394 -17.234 1.00 0.00 C ATOM 679 CG TYR X 45 30.440 -11.707 -15.744 1.00 0.00 C ATOM 680 CD1 TYR X 45 30.232 -10.685 -14.810 1.00 0.00 C ATOM 681 CD2 TYR X 45 30.633 -13.025 -15.307 1.00 0.00 C ATOM 682 CE1 TYR X 45 30.216 -10.982 -13.442 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.617 -13.319 -13.939 1.00 0.00 C ATOM 684 CZ TYR X 45 30.409 -12.299 -13.007 1.00 0.00 C ATOM 685 OH TYR X 45 30.388 -12.592 -11.659 1.00 0.00 O ATOM 0 H TYR X 45 32.612 -10.495 -19.316 1.00 0.00 H new ATOM 0 HA TYR X 45 31.101 -9.324 -17.230 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.456 -11.074 -17.549 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.687 -12.296 -17.798 1.00 0.00 H new ATOM 0 HD1 TYR X 45 30.084 -9.669 -15.144 1.00 0.00 H new ATOM 0 HD2 TYR X 45 30.794 -13.814 -16.027 1.00 0.00 H new ATOM 0 HE1 TYR X 45 30.055 -10.194 -12.721 1.00 0.00 H new ATOM 0 HE2 TYR X 45 30.765 -14.335 -13.603 1.00 0.00 H new ATOM 0 HH TYR X 45 29.520 -12.336 -11.282 1.00 0.00 H new ATOM 695 N ASP X 46 32.980 -9.791 -15.744 1.00 0.00 N ATOM 696 CA ASP X 46 34.145 -9.954 -14.888 1.00 0.00 C ATOM 697 C ASP X 46 33.663 -10.168 -13.445 1.00 0.00 C ATOM 698 O ASP X 46 33.098 -9.261 -12.835 1.00 0.00 O ATOM 699 CB ASP X 46 35.040 -8.712 -14.972 1.00 0.00 C ATOM 700 CG ASP X 46 36.092 -8.771 -13.871 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.523 -9.865 -13.547 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.451 -7.720 -13.366 1.00 0.00 O ATOM 0 H ASP X 46 32.353 -9.038 -15.459 1.00 0.00 H new ATOM 0 HA ASP X 46 34.729 -10.815 -15.214 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.522 -8.663 -15.948 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.439 -7.809 -14.868 1.00 0.00 H new ATOM 707 N ASP X 47 33.879 -11.371 -12.910 1.00 0.00 N ATOM 708 CA ASP X 47 33.447 -11.679 -11.550 1.00 0.00 C ATOM 709 C ASP X 47 34.247 -10.881 -10.527 1.00 0.00 C ATOM 710 O ASP X 47 33.850 -10.771 -9.366 1.00 0.00 O ATOM 711 CB ASP X 47 33.615 -13.174 -11.276 1.00 0.00 C ATOM 712 CG ASP X 47 33.098 -13.509 -9.880 1.00 0.00 C ATOM 713 OD1 ASP X 47 32.039 -13.016 -9.528 1.00 0.00 O ATOM 714 OD2 ASP X 47 33.769 -14.255 -9.185 1.00 0.00 O ATOM 0 H ASP X 47 34.345 -12.139 -13.393 1.00 0.00 H new ATOM 0 HA ASP X 47 32.396 -11.404 -11.458 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.071 -13.753 -12.023 1.00 0.00 H new ATOM 0 HB3 ASP X 47 34.666 -13.452 -11.360 1.00 0.00 H new ATOM 719 N ALA X 48 35.374 -10.329 -10.957 1.00 0.00 N ATOM 720 CA ALA X 48 36.220 -9.548 -10.061 1.00 0.00 C ATOM 721 C ALA X 48 35.667 -8.131 -9.874 1.00 0.00 C ATOM 722 O ALA X 48 36.082 -7.419 -8.960 1.00 0.00 O ATOM 723 CB ALA X 48 37.639 -9.474 -10.623 1.00 0.00 C ATOM 0 H ALA X 48 35.722 -10.406 -11.913 1.00 0.00 H new ATOM 0 HA ALA X 48 36.234 -10.042 -9.090 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.267 -8.890 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.046 -10.481 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.618 -8.999 -11.604 1.00 0.00 H new ATOM 729 N THR X 49 34.733 -7.722 -10.744 1.00 0.00 N ATOM 730 CA THR X 49 34.137 -6.380 -10.658 1.00 0.00 C ATOM 731 C THR X 49 32.611 -6.476 -10.595 1.00 0.00 C ATOM 732 O THR X 49 31.925 -5.453 -10.572 1.00 0.00 O ATOM 733 CB THR X 49 34.555 -5.531 -11.877 1.00 0.00 C ATOM 734 OG1 THR X 49 34.549 -6.346 -13.040 1.00 0.00 O ATOM 735 CG2 THR X 49 35.959 -4.959 -11.666 1.00 0.00 C ATOM 0 H THR X 49 34.376 -8.295 -11.509 1.00 0.00 H new ATOM 0 HA THR X 49 34.499 -5.901 -9.748 1.00 0.00 H new ATOM 0 HB THR X 49 33.851 -4.708 -11.996 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.471 -6.551 -13.300 1.00 0.00 H new ATOM 0 HG21 THR X 49 36.243 -4.362 -12.533 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.966 -4.331 -10.775 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.670 -5.776 -11.540 1.00 0.00 H new ATOM 743 N LYS X 50 32.080 -7.702 -10.568 1.00 0.00 N ATOM 744 CA LYS X 50 30.634 -7.891 -10.509 1.00 0.00 C ATOM 745 C LYS X 50 29.925 -6.903 -11.437 1.00 0.00 C ATOM 746 O LYS X 50 29.102 -6.105 -10.988 1.00 0.00 O ATOM 747 CB LYS X 50 30.132 -7.677 -9.073 1.00 0.00 C ATOM 748 CG LYS X 50 31.035 -8.411 -8.072 1.00 0.00 C ATOM 749 CD LYS X 50 30.864 -9.923 -8.233 1.00 0.00 C ATOM 750 CE LYS X 50 31.534 -10.642 -7.062 1.00 0.00 C ATOM 751 NZ LYS X 50 31.229 -12.099 -7.137 1.00 0.00 N ATOM 0 H LYS X 50 32.623 -8.565 -10.586 1.00 0.00 H new ATOM 0 HA LYS X 50 30.411 -8.909 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS X 50 30.115 -6.612 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.108 -8.040 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.076 -8.134 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS X 50 30.783 -8.113 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS X 50 29.805 -10.177 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS X 50 31.305 -10.251 -9.174 1.00 0.00 H new ATOM 0 HE2 LYS X 50 32.612 -10.483 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS X 50 31.177 -10.232 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 31.328 -12.524 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 30.255 -12.233 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 31.891 -12.559 -7.795 1.00 0.00 H new ATOM 765 N THR X 51 30.250 -6.944 -12.734 1.00 0.00 N ATOM 766 CA THR X 51 29.629 -6.021 -13.697 1.00 0.00 C ATOM 767 C THR X 51 29.472 -6.655 -15.088 1.00 0.00 C ATOM 768 O THR X 51 30.442 -7.137 -15.673 1.00 0.00 O ATOM 769 CB THR X 51 30.483 -4.751 -13.816 1.00 0.00 C ATOM 770 OG1 THR X 51 30.557 -4.112 -12.549 1.00 0.00 O ATOM 771 CG2 THR X 51 29.851 -3.798 -14.836 1.00 0.00 C ATOM 0 H THR X 51 30.926 -7.592 -13.138 1.00 0.00 H new ATOM 0 HA THR X 51 28.634 -5.780 -13.324 1.00 0.00 H new ATOM 0 HB THR X 51 31.486 -5.018 -14.148 1.00 0.00 H new ATOM 0 HG1 THR X 51 31.166 -4.611 -11.966 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.460 -2.897 -14.918 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.796 -4.289 -15.808 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.847 -3.529 -14.509 1.00 0.00 H new ATOM 779 N PHE X 52 28.239 -6.621 -15.622 1.00 0.00 N ATOM 780 CA PHE X 52 27.952 -7.156 -16.951 1.00 0.00 C ATOM 781 C PHE X 52 27.701 -5.997 -17.912 1.00 0.00 C ATOM 782 O PHE X 52 27.306 -4.917 -17.484 1.00 0.00 O ATOM 783 CB PHE X 52 26.701 -8.031 -16.896 1.00 0.00 C ATOM 784 CG PHE X 52 26.992 -9.304 -16.144 1.00 0.00 C ATOM 785 CD1 PHE X 52 27.209 -9.267 -14.762 1.00 0.00 C ATOM 786 CD2 PHE X 52 27.032 -10.529 -16.825 1.00 0.00 C ATOM 787 CE1 PHE X 52 27.465 -10.451 -14.063 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.291 -11.711 -16.125 1.00 0.00 C ATOM 789 CZ PHE X 52 27.508 -11.673 -14.744 1.00 0.00 C ATOM 0 H PHE X 52 27.427 -6.226 -15.147 1.00 0.00 H new ATOM 0 HA PHE X 52 28.799 -7.751 -17.291 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.890 -7.489 -16.409 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.367 -8.265 -17.907 1.00 0.00 H new ATOM 0 HD1 PHE X 52 27.179 -8.325 -14.235 1.00 0.00 H new ATOM 0 HD2 PHE X 52 26.863 -10.559 -17.891 1.00 0.00 H new ATOM 0 HE1 PHE X 52 27.630 -10.422 -12.996 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.324 -12.654 -16.651 1.00 0.00 H new ATOM 0 HZ PHE X 52 27.709 -12.586 -14.203 1.00 0.00 H new ATOM 799 N THR X 53 27.914 -6.215 -19.209 1.00 0.00 N ATOM 800 CA THR X 53 27.676 -5.151 -20.189 1.00 0.00 C ATOM 801 C THR X 53 27.307 -5.748 -21.549 1.00 0.00 C ATOM 802 O THR X 53 28.015 -6.613 -22.062 1.00 0.00 O ATOM 803 CB THR X 53 28.919 -4.259 -20.352 1.00 0.00 C ATOM 804 OG1 THR X 53 29.966 -5.016 -20.930 1.00 0.00 O ATOM 805 CG2 THR X 53 29.377 -3.709 -18.996 1.00 0.00 C ATOM 0 H THR X 53 28.243 -7.097 -19.602 1.00 0.00 H new ATOM 0 HA THR X 53 26.850 -4.544 -19.819 1.00 0.00 H new ATOM 0 HB THR X 53 28.663 -3.419 -20.998 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.759 -4.450 -21.037 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.257 -3.081 -19.136 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.576 -3.117 -18.554 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.624 -4.537 -18.332 1.00 0.00 H new ATOM 813 N VAL X 54 26.204 -5.270 -22.148 1.00 0.00 N ATOM 814 CA VAL X 54 25.776 -5.760 -23.465 1.00 0.00 C ATOM 815 C VAL X 54 25.897 -4.631 -24.493 1.00 0.00 C ATOM 816 O VAL X 54 25.341 -3.549 -24.310 1.00 0.00 O ATOM 817 CB VAL X 54 24.329 -6.264 -23.397 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.380 -5.091 -23.144 1.00 0.00 C ATOM 819 CG2 VAL X 54 23.962 -6.950 -24.720 1.00 0.00 C ATOM 0 H VAL X 54 25.600 -4.553 -21.746 1.00 0.00 H new ATOM 0 HA VAL X 54 26.416 -6.589 -23.766 1.00 0.00 H new ATOM 0 HB VAL X 54 24.236 -6.979 -22.580 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.354 -5.457 -23.097 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.638 -4.611 -22.200 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.471 -4.368 -23.955 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.934 -7.308 -24.671 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.060 -6.237 -25.539 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.632 -7.793 -24.891 1.00 0.00 H new ATOM 829 N THR X 55 26.657 -4.883 -25.565 1.00 0.00 N ATOM 830 CA THR X 55 26.881 -3.876 -26.616 1.00 0.00 C ATOM 831 C THR X 55 26.506 -4.422 -28.000 1.00 0.00 C ATOM 832 O THR X 55 27.080 -5.409 -28.460 1.00 0.00 O ATOM 833 CB THR X 55 28.360 -3.429 -26.605 1.00 0.00 C ATOM 834 OG1 THR X 55 28.482 -2.198 -27.303 1.00 0.00 O ATOM 835 CG2 THR X 55 29.256 -4.484 -27.277 1.00 0.00 C ATOM 0 H THR X 55 27.128 -5.773 -25.730 1.00 0.00 H new ATOM 0 HA THR X 55 26.240 -3.019 -26.409 1.00 0.00 H new ATOM 0 HB THR X 55 28.680 -3.309 -25.570 1.00 0.00 H new ATOM 0 HG1 THR X 55 29.419 -1.910 -27.297 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.292 -4.147 -27.257 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.171 -5.429 -26.740 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.940 -4.625 -28.311 1.00 0.00 H new ATOM 843 N GLU X 56 25.543 -3.769 -28.665 1.00 0.00 N ATOM 844 CA GLU X 56 25.105 -4.193 -30.000 1.00 0.00 C ATOM 845 C GLU X 56 25.653 -3.237 -31.061 1.00 0.00 C ATOM 846 O GLU X 56 25.093 -2.164 -31.209 1.00 0.00 O ATOM 847 CB GLU X 56 23.570 -4.224 -30.065 1.00 0.00 C ATOM 848 CG GLU X 56 22.994 -3.080 -29.231 1.00 0.00 C ATOM 849 CD GLU X 56 21.472 -3.081 -29.325 1.00 0.00 C ATOM 850 OE1 GLU X 56 20.933 -4.039 -29.856 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.867 -2.128 -28.864 1.00 0.00 O ATOM 852 OXT GLU X 56 26.623 -3.595 -31.708 1.00 0.00 O ATOM 0 H GLU X 56 25.055 -2.950 -28.302 1.00 0.00 H new ATOM 0 HA GLU X 56 25.489 -5.195 -30.195 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.239 -4.135 -31.100 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.200 -5.180 -29.693 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.302 -3.186 -28.191 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.388 -2.127 -29.585 1.00 0.00 H new TER 859 GLU X 56