USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 507 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 Single : A 1 LEU N :NH3+ 155:sc= 0.017 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.162 (180deg=-0.491) USER MOD Single : A 12 GLN : amide:sc= -0.775 K(o=-0.77,f=-0.21) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0135) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.18) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -30:sc= -1.14 USER MOD Single : A 31 LYS NZ :NH3+ 140:sc= -0.121 (180deg=-1.03) USER MOD Single : A 32 ASN : amide:sc= 0.566 K(o=0.57,f=-0.001) USER MOD Single : A 33 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.15) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.793 K(o=-0.79,f=-2.8!) USER MOD Single : A 54 THR OG1 : rot 147:sc= 0.00837 USER MOD Single : A 56 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= -0.104 (180deg=-0.552) USER MOD Single : A 64 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.333 0.019 -0.505 1.00 0.00 N ATOM 2 CA LEU A 1 2.989 0.103 -1.805 1.00 0.00 C ATOM 3 C LEU A 1 2.353 -0.863 -2.800 1.00 0.00 C ATOM 4 O LEU A 1 1.859 -1.926 -2.422 1.00 0.00 O ATOM 5 CB LEU A 1 4.482 -0.201 -1.666 1.00 0.00 C ATOM 6 CG LEU A 1 5.426 0.994 -1.800 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.859 0.577 -1.510 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.317 1.606 -3.188 1.00 0.00 C ATOM 0 H1 LEU A 1 2.993 0.326 0.238 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.495 0.634 -0.499 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.043 -0.963 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 1 2.864 1.118 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.649 -0.663 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.754 -0.939 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 1 5.134 1.748 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.517 1.440 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.926 0.186 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.163 -0.195 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.996 2.455 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.583 0.860 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.294 1.942 -3.358 1.00 0.00 H new ATOM 20 N THR A 2 2.370 -0.488 -4.076 1.00 0.00 N ATOM 21 CA THR A 2 1.797 -1.320 -5.125 1.00 0.00 C ATOM 22 C THR A 2 2.871 -2.152 -5.816 1.00 0.00 C ATOM 23 O THR A 2 3.941 -1.645 -6.156 1.00 0.00 O ATOM 24 CB THR A 2 1.065 -0.469 -6.180 1.00 0.00 C ATOM 25 OG1 THR A 2 0.098 0.375 -5.544 1.00 0.00 O ATOM 26 CG2 THR A 2 0.374 -1.355 -7.206 1.00 0.00 C ATOM 0 H THR A 2 2.775 0.388 -4.407 1.00 0.00 H new ATOM 0 HA THR A 2 1.080 -1.985 -4.644 1.00 0.00 H new ATOM 0 HB THR A 2 1.803 0.147 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.362 0.914 -6.221 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.136 -0.732 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.116 -1.976 -7.709 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.353 -1.993 -6.704 1.00 0.00 H new ATOM 34 N CYS A 3 2.580 -3.432 -6.023 1.00 0.00 N ATOM 35 CA CYS A 3 3.521 -4.335 -6.674 1.00 0.00 C ATOM 36 C CYS A 3 2.807 -5.575 -7.205 1.00 0.00 C ATOM 37 O CYS A 3 1.810 -6.021 -6.637 1.00 0.00 O ATOM 38 CB CYS A 3 4.624 -4.747 -5.697 1.00 0.00 C ATOM 39 SG CYS A 3 4.090 -4.812 -3.957 1.00 0.00 S ATOM 0 H CYS A 3 1.699 -3.867 -5.749 1.00 0.00 H new ATOM 0 HA CYS A 3 3.969 -3.807 -7.516 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.003 -5.727 -5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.453 -4.045 -5.785 1.00 0.00 H new ATOM 44 N LEU A 4 3.324 -6.126 -8.297 1.00 0.00 N ATOM 45 CA LEU A 4 2.737 -7.315 -8.906 1.00 0.00 C ATOM 46 C LEU A 4 3.092 -8.566 -8.109 1.00 0.00 C ATOM 47 O LEU A 4 4.103 -8.601 -7.407 1.00 0.00 O ATOM 48 CB LEU A 4 3.217 -7.463 -10.351 1.00 0.00 C ATOM 49 CG LEU A 4 3.040 -6.236 -11.246 1.00 0.00 C ATOM 50 CD1 LEU A 4 1.790 -5.464 -10.852 1.00 0.00 C ATOM 51 CD2 LEU A 4 4.267 -5.340 -11.171 1.00 0.00 C ATOM 0 H LEU A 4 4.149 -5.769 -8.779 1.00 0.00 H new ATOM 0 HA LEU A 4 1.653 -7.198 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.274 -7.728 -10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.685 -8.299 -10.805 1.00 0.00 H new ATOM 0 HG LEU A 4 2.924 -6.575 -12.276 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.680 -4.594 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.917 -6.107 -10.958 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.876 -5.136 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.123 -4.472 -11.814 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.414 -5.010 -10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.144 -5.896 -11.502 1.00 0.00 H new ATOM 63 N ILE A 5 2.255 -9.592 -8.225 1.00 0.00 N ATOM 64 CA ILE A 5 2.483 -10.846 -7.518 1.00 0.00 C ATOM 65 C ILE A 5 1.653 -11.975 -8.120 1.00 0.00 C ATOM 66 O ILE A 5 0.480 -11.793 -8.446 1.00 0.00 O ATOM 67 CB ILE A 5 2.144 -10.718 -6.021 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.935 -12.102 -5.403 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.907 -9.854 -5.829 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.665 -12.065 -3.915 1.00 0.00 C ATOM 0 H ILE A 5 1.414 -9.579 -8.801 1.00 0.00 H new ATOM 0 HA ILE A 5 3.542 -11.080 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 5 2.981 -10.237 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.100 -12.592 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.820 -12.711 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.681 -9.774 -4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.090 -8.860 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.062 -10.308 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.527 -13.081 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.510 -11.604 -3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.763 -11.483 -3.723 1.00 0.00 H new ATOM 82 N CYS A 6 2.270 -13.143 -8.265 1.00 0.00 N ATOM 83 CA CYS A 6 1.590 -14.303 -8.827 1.00 0.00 C ATOM 84 C CYS A 6 2.564 -15.461 -9.026 1.00 0.00 C ATOM 85 O CYS A 6 3.617 -15.319 -9.648 1.00 0.00 O ATOM 86 CB CYS A 6 0.933 -13.940 -10.160 1.00 0.00 C ATOM 87 SG CYS A 6 0.388 -15.377 -11.137 1.00 0.00 S ATOM 0 H CYS A 6 3.241 -13.311 -8.001 1.00 0.00 H new ATOM 0 HA CYS A 6 0.819 -14.616 -8.123 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.073 -13.299 -9.966 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.638 -13.357 -10.753 1.00 0.00 H new ATOM 92 N PRO A 7 2.205 -16.636 -8.488 1.00 0.00 N ATOM 93 CA PRO A 7 3.032 -17.841 -8.594 1.00 0.00 C ATOM 94 C PRO A 7 3.072 -18.394 -10.015 1.00 0.00 C ATOM 95 O PRO A 7 2.288 -19.272 -10.370 1.00 0.00 O ATOM 96 CB PRO A 7 2.339 -18.831 -7.655 1.00 0.00 C ATOM 97 CG PRO A 7 0.921 -18.375 -7.603 1.00 0.00 C ATOM 98 CD PRO A 7 0.963 -16.878 -7.734 1.00 0.00 C ATOM 0 HA PRO A 7 4.073 -17.645 -8.336 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.413 -19.851 -8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.794 -18.822 -6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.338 -18.821 -8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.450 -18.672 -6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.090 -16.496 -8.264 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.983 -16.390 -6.760 1.00 0.00 H new ATOM 106 N GLU A 8 3.991 -17.872 -10.822 1.00 0.00 N ATOM 107 CA GLU A 8 4.131 -18.315 -12.204 1.00 0.00 C ATOM 108 C GLU A 8 5.307 -17.617 -12.882 1.00 0.00 C ATOM 109 O GLU A 8 6.008 -16.815 -12.264 1.00 0.00 O ATOM 110 CB GLU A 8 2.844 -18.041 -12.984 1.00 0.00 C ATOM 111 CG GLU A 8 2.015 -19.287 -13.248 1.00 0.00 C ATOM 112 CD GLU A 8 1.357 -19.272 -14.614 1.00 0.00 C ATOM 113 OE1 GLU A 8 1.011 -18.171 -15.092 1.00 0.00 O ATOM 114 OE2 GLU A 8 1.188 -20.359 -15.203 1.00 0.00 O ATOM 0 H GLU A 8 4.648 -17.143 -10.543 1.00 0.00 H new ATOM 0 HA GLU A 8 4.322 -19.388 -12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.239 -17.323 -12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.098 -17.576 -13.936 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.653 -20.167 -13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.247 -19.377 -12.480 1.00 0.00 H new ATOM 121 N LYS A 9 5.518 -17.929 -14.156 1.00 0.00 N ATOM 122 CA LYS A 9 6.608 -17.333 -14.920 1.00 0.00 C ATOM 123 C LYS A 9 6.078 -16.296 -15.905 1.00 0.00 C ATOM 124 O LYS A 9 6.807 -15.398 -16.328 1.00 0.00 O ATOM 125 CB LYS A 9 7.384 -18.417 -15.672 1.00 0.00 C ATOM 126 CG LYS A 9 6.492 -19.409 -16.399 1.00 0.00 C ATOM 127 CD LYS A 9 6.212 -20.635 -15.546 1.00 0.00 C ATOM 128 CE LYS A 9 7.484 -21.421 -15.265 1.00 0.00 C ATOM 129 NZ LYS A 9 8.310 -21.595 -16.492 1.00 0.00 N ATOM 0 H LYS A 9 4.948 -18.592 -14.682 1.00 0.00 H new ATOM 0 HA LYS A 9 7.279 -16.834 -14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.049 -17.942 -16.394 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.014 -18.957 -14.966 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.551 -18.927 -16.665 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.969 -19.714 -17.331 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.757 -20.328 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.492 -21.276 -16.054 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.069 -20.905 -14.503 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.225 -22.399 -14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.034 -22.323 -16.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.701 -21.889 -17.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.773 -20.695 -16.729 1.00 0.00 H new ATOM 143 N ASP A 10 4.806 -16.424 -16.265 1.00 0.00 N ATOM 144 CA ASP A 10 4.178 -15.496 -17.198 1.00 0.00 C ATOM 145 C ASP A 10 2.867 -14.960 -16.632 1.00 0.00 C ATOM 146 O ASP A 10 1.859 -14.884 -17.335 1.00 0.00 O ATOM 147 CB ASP A 10 3.925 -16.183 -18.541 1.00 0.00 C ATOM 148 CG ASP A 10 3.597 -15.196 -19.644 1.00 0.00 C ATOM 149 OD1 ASP A 10 4.017 -14.025 -19.535 1.00 0.00 O ATOM 150 OD2 ASP A 10 2.921 -15.594 -20.616 1.00 0.00 O ATOM 0 H ASP A 10 4.189 -17.162 -15.925 1.00 0.00 H new ATOM 0 HA ASP A 10 4.857 -14.657 -17.350 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.807 -16.759 -18.823 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.103 -16.891 -18.435 1.00 0.00 H new ATOM 155 N CYS A 11 2.888 -14.589 -15.356 1.00 0.00 N ATOM 156 CA CYS A 11 1.701 -14.061 -14.694 1.00 0.00 C ATOM 157 C CYS A 11 2.086 -13.082 -13.588 1.00 0.00 C ATOM 158 O CYS A 11 3.040 -13.313 -12.846 1.00 0.00 O ATOM 159 CB CYS A 11 0.866 -15.203 -14.111 1.00 0.00 C ATOM 160 SG CYS A 11 -0.389 -14.665 -12.904 1.00 0.00 S ATOM 0 H CYS A 11 3.714 -14.644 -14.760 1.00 0.00 H new ATOM 0 HA CYS A 11 1.107 -13.528 -15.437 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.369 -15.728 -14.926 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.533 -15.919 -13.631 1.00 0.00 H new ATOM 165 N GLN A 12 1.336 -11.989 -13.486 1.00 0.00 N ATOM 166 CA GLN A 12 1.599 -10.975 -12.472 1.00 0.00 C ATOM 167 C GLN A 12 0.317 -10.242 -12.090 1.00 0.00 C ATOM 168 O GLN A 12 -0.256 -9.510 -12.897 1.00 0.00 O ATOM 169 CB GLN A 12 2.640 -9.975 -12.978 1.00 0.00 C ATOM 170 CG GLN A 12 4.053 -10.274 -12.502 1.00 0.00 C ATOM 171 CD GLN A 12 5.020 -9.145 -12.799 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.007 -8.571 -13.888 1.00 0.00 O ATOM 173 NE2 GLN A 12 5.867 -8.821 -11.828 1.00 0.00 N ATOM 0 H GLN A 12 0.542 -11.783 -14.093 1.00 0.00 H new ATOM 0 HA GLN A 12 1.988 -11.476 -11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.626 -9.969 -14.068 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.359 -8.974 -12.650 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.038 -10.462 -11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.408 -11.187 -12.981 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.842 -9.324 -10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.542 -8.069 -11.970 1.00 0.00 H new ATOM 182 N LYS A 13 -0.128 -10.444 -10.855 1.00 0.00 N ATOM 183 CA LYS A 13 -1.342 -9.802 -10.364 1.00 0.00 C ATOM 184 C LYS A 13 -1.005 -8.645 -9.429 1.00 0.00 C ATOM 185 O LYS A 13 -0.371 -8.836 -8.392 1.00 0.00 O ATOM 186 CB LYS A 13 -2.223 -10.820 -9.636 1.00 0.00 C ATOM 187 CG LYS A 13 -3.703 -10.676 -9.945 1.00 0.00 C ATOM 188 CD LYS A 13 -4.359 -9.632 -9.058 1.00 0.00 C ATOM 189 CE LYS A 13 -5.846 -9.901 -8.885 1.00 0.00 C ATOM 190 NZ LYS A 13 -6.579 -9.810 -10.178 1.00 0.00 N ATOM 0 H LYS A 13 0.334 -11.048 -10.175 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.887 -9.407 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.900 -11.826 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.073 -10.715 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.832 -10.399 -10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.200 -11.636 -9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.874 -9.626 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.215 -8.642 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.988 -10.893 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.265 -9.185 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.599 -9.915 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.395 -8.885 -10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.255 -10.566 -10.815 1.00 0.00 H new ATOM 204 N VAL A 14 -1.436 -7.444 -9.803 1.00 0.00 N ATOM 205 CA VAL A 14 -1.183 -6.256 -8.997 1.00 0.00 C ATOM 206 C VAL A 14 -1.720 -6.428 -7.580 1.00 0.00 C ATOM 207 O VAL A 14 -2.844 -6.890 -7.383 1.00 0.00 O ATOM 208 CB VAL A 14 -1.821 -5.003 -9.627 1.00 0.00 C ATOM 209 CG1 VAL A 14 -1.323 -4.810 -11.051 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.338 -5.104 -9.592 1.00 0.00 C ATOM 0 H VAL A 14 -1.962 -7.269 -10.659 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.102 -6.124 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.525 -4.132 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.784 -3.920 -11.480 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.240 -4.690 -11.044 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.588 -5.681 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.773 -4.211 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.657 -5.983 -10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.673 -5.190 -8.558 1.00 0.00 H new ATOM 220 N HIS A 15 -0.908 -6.054 -6.596 1.00 0.00 N ATOM 221 CA HIS A 15 -1.302 -6.166 -5.196 1.00 0.00 C ATOM 222 C HIS A 15 -0.687 -5.043 -4.367 1.00 0.00 C ATOM 223 O HIS A 15 0.510 -4.768 -4.465 1.00 0.00 O ATOM 224 CB HIS A 15 -0.879 -7.522 -4.632 1.00 0.00 C ATOM 225 CG HIS A 15 -1.310 -7.743 -3.215 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.421 -7.886 -2.171 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.546 -7.844 -2.671 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.091 -8.067 -1.047 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.382 -8.045 -1.323 1.00 0.00 N ATOM 0 H HIS A 15 0.026 -5.671 -6.742 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.387 -6.081 -5.142 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.296 -8.312 -5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.206 -7.608 -4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.486 -7.779 -3.199 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.657 -8.209 -0.068 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.135 -8.159 -0.645 1.00 0.00 H new ATOM 237 N THR A 16 -1.513 -4.395 -3.551 1.00 0.00 N ATOM 238 CA THR A 16 -1.051 -3.301 -2.706 1.00 0.00 C ATOM 239 C THR A 16 -0.954 -3.734 -1.248 1.00 0.00 C ATOM 240 O THR A 16 -1.946 -4.145 -0.645 1.00 0.00 O ATOM 241 CB THR A 16 -1.985 -2.080 -2.807 1.00 0.00 C ATOM 242 OG1 THR A 16 -2.831 -2.204 -3.956 1.00 0.00 O ATOM 243 CG2 THR A 16 -1.184 -0.791 -2.897 1.00 0.00 C ATOM 0 H THR A 16 -2.506 -4.609 -3.458 1.00 0.00 H new ATOM 0 HA THR A 16 -0.060 -3.022 -3.065 1.00 0.00 H new ATOM 0 HB THR A 16 -2.599 -2.045 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.423 -1.425 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.866 0.057 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.564 -0.685 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.547 -0.819 -3.781 1.00 0.00 H new ATOM 251 N CYS A 17 0.246 -3.640 -0.686 1.00 0.00 N ATOM 252 CA CYS A 17 0.473 -4.023 0.703 1.00 0.00 C ATOM 253 C CYS A 17 -0.144 -3.002 1.655 1.00 0.00 C ATOM 254 O CYS A 17 0.555 -2.156 2.212 1.00 0.00 O ATOM 255 CB CYS A 17 1.972 -4.154 0.979 1.00 0.00 C ATOM 256 SG CYS A 17 2.811 -5.402 -0.048 1.00 0.00 S ATOM 0 H CYS A 17 1.077 -3.302 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.006 -4.988 0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.446 -3.186 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.116 -4.407 2.029 1.00 0.00 H new ATOM 261 N ARG A 18 -1.458 -3.090 1.837 1.00 0.00 N ATOM 262 CA ARG A 18 -2.169 -2.175 2.721 1.00 0.00 C ATOM 263 C ARG A 18 -2.307 -2.767 4.121 1.00 0.00 C ATOM 264 O ARG A 18 -3.133 -2.320 4.916 1.00 0.00 O ATOM 265 CB ARG A 18 -3.553 -1.855 2.153 1.00 0.00 C ATOM 266 CG ARG A 18 -3.529 -1.436 0.692 1.00 0.00 C ATOM 267 CD ARG A 18 -4.914 -1.041 0.203 1.00 0.00 C ATOM 268 NE ARG A 18 -4.855 -0.024 -0.844 1.00 0.00 N ATOM 269 CZ ARG A 18 -5.887 0.740 -1.185 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.051 0.604 -0.564 1.00 0.00 N ATOM 271 NH2 ARG A 18 -5.756 1.643 -2.148 1.00 0.00 N ATOM 0 H ARG A 18 -2.051 -3.785 1.384 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.590 -1.254 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.192 -2.731 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.004 -1.057 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.844 -0.598 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.147 -2.256 0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.430 -1.923 -0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.501 -0.665 1.041 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.973 0.107 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.156 -0.089 0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.842 1.192 -0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.862 1.751 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.549 2.229 -2.409 1.00 0.00 H new ATOM 285 N ASN A 19 -1.493 -3.776 4.413 1.00 0.00 N ATOM 286 CA ASN A 19 -1.525 -4.431 5.716 1.00 0.00 C ATOM 287 C ASN A 19 -0.417 -3.898 6.620 1.00 0.00 C ATOM 288 O ASN A 19 0.217 -2.889 6.312 1.00 0.00 O ATOM 289 CB ASN A 19 -1.381 -5.945 5.553 1.00 0.00 C ATOM 290 CG ASN A 19 -2.311 -6.717 6.468 1.00 0.00 C ATOM 291 OD1 ASN A 19 -1.866 -7.494 7.312 1.00 0.00 O ATOM 292 ND2 ASN A 19 -3.612 -6.504 6.305 1.00 0.00 N ATOM 0 H ASN A 19 -0.803 -4.158 3.766 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.486 -4.212 6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.586 -6.217 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.350 -6.233 5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.287 -6.994 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.936 -5.850 5.592 1.00 0.00 H new ATOM 299 N GLU A 20 -0.190 -4.583 7.736 1.00 0.00 N ATOM 300 CA GLU A 20 0.841 -4.178 8.684 1.00 0.00 C ATOM 301 C GLU A 20 2.174 -3.955 7.976 1.00 0.00 C ATOM 302 O GLU A 20 2.986 -3.135 8.404 1.00 0.00 O ATOM 303 CB GLU A 20 1.003 -5.236 9.778 1.00 0.00 C ATOM 304 CG GLU A 20 -0.270 -5.495 10.566 1.00 0.00 C ATOM 305 CD GLU A 20 -0.046 -6.418 11.749 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.927 -6.196 12.500 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.844 -7.363 11.922 1.00 0.00 O ATOM 0 H GLU A 20 -0.706 -5.421 8.006 1.00 0.00 H new ATOM 0 HA GLU A 20 0.530 -3.238 9.140 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.335 -6.169 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.788 -4.919 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.672 -4.546 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.019 -5.932 9.906 1.00 0.00 H new ATOM 314 N GLU A 21 2.392 -4.692 6.890 1.00 0.00 N ATOM 315 CA GLU A 21 3.627 -4.575 6.124 1.00 0.00 C ATOM 316 C GLU A 21 3.610 -3.323 5.252 1.00 0.00 C ATOM 317 O GLU A 21 2.697 -2.501 5.343 1.00 0.00 O ATOM 318 CB GLU A 21 3.830 -5.815 5.251 1.00 0.00 C ATOM 319 CG GLU A 21 3.540 -7.121 5.972 1.00 0.00 C ATOM 320 CD GLU A 21 4.206 -7.198 7.331 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.313 -6.639 7.483 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.621 -7.818 8.244 1.00 0.00 O ATOM 0 H GLU A 21 1.730 -5.375 6.522 1.00 0.00 H new ATOM 0 HA GLU A 21 4.455 -4.495 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.185 -5.742 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.858 -5.830 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.463 -7.233 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.880 -7.954 5.357 1.00 0.00 H new ATOM 329 N LYS A 22 4.626 -3.184 4.407 1.00 0.00 N ATOM 330 CA LYS A 22 4.729 -2.034 3.517 1.00 0.00 C ATOM 331 C LYS A 22 5.415 -2.418 2.209 1.00 0.00 C ATOM 332 O LYS A 22 4.990 -2.003 1.130 1.00 0.00 O ATOM 333 CB LYS A 22 5.504 -0.904 4.199 1.00 0.00 C ATOM 334 CG LYS A 22 4.705 -0.174 5.264 1.00 0.00 C ATOM 335 CD LYS A 22 5.587 0.746 6.091 1.00 0.00 C ATOM 336 CE LYS A 22 5.679 2.133 5.473 1.00 0.00 C ATOM 337 NZ LYS A 22 6.715 2.969 6.140 1.00 0.00 N ATOM 0 H LYS A 22 5.390 -3.854 4.320 1.00 0.00 H new ATOM 0 HA LYS A 22 3.720 -1.690 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.406 -1.315 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.825 -0.187 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.913 0.408 4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.221 -0.899 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.187 0.823 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.585 0.317 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.912 2.043 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.711 2.628 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.747 3.906 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.479 3.076 7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.643 2.509 6.049 1.00 0.00 H new ATOM 351 N ILE A 23 6.474 -3.212 2.313 1.00 0.00 N ATOM 352 CA ILE A 23 7.216 -3.654 1.138 1.00 0.00 C ATOM 353 C ILE A 23 6.762 -5.039 0.690 1.00 0.00 C ATOM 354 O ILE A 23 5.967 -5.693 1.366 1.00 0.00 O ATOM 355 CB ILE A 23 8.732 -3.685 1.408 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.050 -4.662 2.542 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.239 -2.291 1.744 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.493 -5.114 2.563 1.00 0.00 C ATOM 0 H ILE A 23 6.838 -3.563 3.199 1.00 0.00 H new ATOM 0 HA ILE A 23 7.011 -2.933 0.346 1.00 0.00 H new ATOM 0 HB ILE A 23 9.240 -4.027 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.812 -4.190 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.405 -5.536 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.312 -2.330 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.041 -1.621 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.728 -1.922 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.646 -5.804 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.731 -5.615 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.144 -4.248 2.687 1.00 0.00 H new ATOM 370 N CYS A 24 7.273 -5.482 -0.454 1.00 0.00 N ATOM 371 CA CYS A 24 6.922 -6.790 -0.993 1.00 0.00 C ATOM 372 C CYS A 24 8.156 -7.502 -1.539 1.00 0.00 C ATOM 373 O CYS A 24 8.952 -6.914 -2.272 1.00 0.00 O ATOM 374 CB CYS A 24 5.873 -6.645 -2.097 1.00 0.00 C ATOM 375 SG CYS A 24 6.110 -5.186 -3.161 1.00 0.00 S ATOM 0 H CYS A 24 7.932 -4.954 -1.026 1.00 0.00 H new ATOM 0 HA CYS A 24 6.507 -7.390 -0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.889 -7.541 -2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.885 -6.591 -1.640 1.00 0.00 H new ATOM 380 N VAL A 25 8.309 -8.772 -1.177 1.00 0.00 N ATOM 381 CA VAL A 25 9.444 -9.566 -1.632 1.00 0.00 C ATOM 382 C VAL A 25 8.985 -10.889 -2.234 1.00 0.00 C ATOM 383 O VAL A 25 7.988 -11.468 -1.801 1.00 0.00 O ATOM 384 CB VAL A 25 10.426 -9.852 -0.479 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.698 -10.483 0.698 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.561 -10.745 -0.956 1.00 0.00 C ATOM 0 H VAL A 25 7.661 -9.273 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 25 9.953 -8.980 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 25 10.854 -8.907 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.407 -10.678 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.924 -9.803 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.241 -11.421 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.245 -10.937 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.154 -11.690 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.099 -10.249 -1.764 1.00 0.00 H new ATOM 396 N LYS A 26 9.719 -11.364 -3.234 1.00 0.00 N ATOM 397 CA LYS A 26 9.389 -12.620 -3.896 1.00 0.00 C ATOM 398 C LYS A 26 10.436 -13.687 -3.591 1.00 0.00 C ATOM 399 O LYS A 26 11.613 -13.380 -3.405 1.00 0.00 O ATOM 400 CB LYS A 26 9.285 -12.412 -5.409 1.00 0.00 C ATOM 401 CG LYS A 26 9.173 -13.706 -6.195 1.00 0.00 C ATOM 402 CD LYS A 26 8.298 -13.537 -7.426 1.00 0.00 C ATOM 403 CE LYS A 26 8.552 -14.637 -8.446 1.00 0.00 C ATOM 404 NZ LYS A 26 7.394 -14.821 -9.363 1.00 0.00 N ATOM 0 H LYS A 26 10.547 -10.898 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 26 8.426 -12.960 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.415 -11.791 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.162 -11.863 -5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.167 -14.037 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.758 -14.486 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.248 -13.547 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.492 -12.566 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.441 -14.394 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.757 -15.573 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.606 -15.579 -10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.551 -15.078 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.214 -13.935 -9.877 1.00 0.00 H new ATOM 418 N ARG A 27 9.999 -14.941 -3.540 1.00 0.00 N ATOM 419 CA ARG A 27 10.898 -16.053 -3.258 1.00 0.00 C ATOM 420 C ARG A 27 10.464 -17.308 -4.009 1.00 0.00 C ATOM 421 O ARG A 27 9.401 -17.869 -3.741 1.00 0.00 O ATOM 422 CB ARG A 27 10.938 -16.335 -1.755 1.00 0.00 C ATOM 423 CG ARG A 27 11.047 -15.080 -0.903 1.00 0.00 C ATOM 424 CD ARG A 27 11.352 -15.417 0.548 1.00 0.00 C ATOM 425 NE ARG A 27 10.201 -16.007 1.227 1.00 0.00 N ATOM 426 CZ ARG A 27 10.271 -16.591 2.418 1.00 0.00 C ATOM 427 NH1 ARG A 27 11.429 -16.662 3.059 1.00 0.00 N ATOM 428 NH2 ARG A 27 9.180 -17.105 2.971 1.00 0.00 N ATOM 0 H ARG A 27 9.027 -15.212 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 27 11.896 -15.775 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.037 -16.879 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.785 -16.986 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.831 -14.436 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.114 -14.519 -0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.192 -16.110 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.658 -14.512 1.073 1.00 0.00 H new ATOM 0 HE ARG A 27 9.294 -15.968 0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.270 -16.267 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.479 -17.111 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.287 -17.052 2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.235 -17.553 3.886 1.00 0.00 H new ATOM 442 N PHE A 28 11.294 -17.743 -4.952 1.00 0.00 N ATOM 443 CA PHE A 28 10.995 -18.931 -5.744 1.00 0.00 C ATOM 444 C PHE A 28 12.191 -19.879 -5.774 1.00 0.00 C ATOM 445 O PHE A 28 13.318 -19.483 -5.477 1.00 0.00 O ATOM 446 CB PHE A 28 10.609 -18.535 -7.171 1.00 0.00 C ATOM 447 CG PHE A 28 11.716 -17.857 -7.925 1.00 0.00 C ATOM 448 CD1 PHE A 28 11.924 -16.493 -7.800 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.549 -18.584 -8.761 1.00 0.00 C ATOM 450 CE1 PHE A 28 12.943 -15.866 -8.493 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.569 -17.963 -9.456 1.00 0.00 C ATOM 452 CZ PHE A 28 13.766 -16.602 -9.323 1.00 0.00 C ATOM 0 H PHE A 28 12.178 -17.291 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 28 10.156 -19.446 -5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.302 -19.427 -7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.745 -17.871 -7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.283 -15.913 -7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.399 -19.648 -8.870 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.095 -14.802 -8.385 1.00 0.00 H new ATOM 0 HE2 PHE A 28 14.212 -18.541 -10.103 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.562 -16.115 -9.867 1.00 0.00 H new ATOM 462 N TYR A 29 11.935 -21.132 -6.133 1.00 0.00 N ATOM 463 CA TYR A 29 12.988 -22.138 -6.198 1.00 0.00 C ATOM 464 C TYR A 29 12.957 -22.873 -7.535 1.00 0.00 C ATOM 465 O TYR A 29 11.900 -23.308 -7.992 1.00 0.00 O ATOM 466 CB TYR A 29 12.840 -23.138 -5.050 1.00 0.00 C ATOM 467 CG TYR A 29 14.149 -23.752 -4.609 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.701 -24.828 -5.293 1.00 0.00 C ATOM 469 CD2 TYR A 29 14.835 -23.255 -3.507 1.00 0.00 C ATOM 470 CE1 TYR A 29 15.896 -25.392 -4.893 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.032 -23.813 -3.100 1.00 0.00 C ATOM 472 CZ TYR A 29 16.558 -24.881 -3.796 1.00 0.00 C ATOM 473 OH TYR A 29 17.750 -25.440 -3.395 1.00 0.00 O ATOM 0 H TYR A 29 11.008 -21.475 -6.383 1.00 0.00 H new ATOM 0 HA TYR A 29 13.947 -21.629 -6.105 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.379 -22.636 -4.199 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.161 -23.933 -5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.186 -25.230 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.426 -22.419 -2.960 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.310 -26.229 -5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.553 -23.415 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 29 17.758 -26.393 -3.624 1.00 0.00 H new ATOM 483 N ASP A 30 14.124 -23.009 -8.155 1.00 0.00 N ATOM 484 CA ASP A 30 14.232 -23.692 -9.439 1.00 0.00 C ATOM 485 C ASP A 30 15.664 -24.153 -9.689 1.00 0.00 C ATOM 486 O ASP A 30 16.540 -23.350 -10.013 1.00 0.00 O ATOM 487 CB ASP A 30 13.774 -22.772 -10.571 1.00 0.00 C ATOM 488 CG ASP A 30 14.589 -21.496 -10.646 1.00 0.00 C ATOM 489 OD1 ASP A 30 14.621 -20.753 -9.643 1.00 0.00 O ATOM 490 OD2 ASP A 30 15.195 -21.240 -11.708 1.00 0.00 O ATOM 0 H ASP A 30 15.008 -22.656 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 30 13.586 -24.569 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.848 -23.303 -11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.723 -22.521 -10.428 1.00 0.00 H new ATOM 495 N LYS A 31 15.897 -25.453 -9.537 1.00 0.00 N ATOM 496 CA LYS A 31 17.223 -26.023 -9.747 1.00 0.00 C ATOM 497 C LYS A 31 17.130 -27.367 -10.461 1.00 0.00 C ATOM 498 O LYS A 31 17.891 -28.289 -10.168 1.00 0.00 O ATOM 499 CB LYS A 31 17.945 -26.193 -8.408 1.00 0.00 C ATOM 500 CG LYS A 31 18.609 -24.921 -7.910 1.00 0.00 C ATOM 501 CD LYS A 31 19.879 -25.223 -7.131 1.00 0.00 C ATOM 502 CE LYS A 31 19.598 -26.115 -5.931 1.00 0.00 C ATOM 503 NZ LYS A 31 19.860 -27.549 -6.233 1.00 0.00 N ATOM 0 H LYS A 31 15.184 -26.132 -9.269 1.00 0.00 H new ATOM 0 HA LYS A 31 17.791 -25.337 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.230 -26.537 -7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.701 -26.972 -8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.845 -24.277 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.914 -24.371 -7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.602 -25.709 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 31 20.331 -24.290 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.219 -25.801 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.560 -25.993 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.315 -27.999 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.961 -28.031 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.487 -27.621 -7.060 1.00 0.00 H new ATOM 517 N ASN A 32 16.195 -27.471 -11.399 1.00 0.00 N ATOM 518 CA ASN A 32 16.004 -28.703 -12.156 1.00 0.00 C ATOM 519 C ASN A 32 14.856 -28.559 -13.150 1.00 0.00 C ATOM 520 O ASN A 32 13.953 -27.745 -12.956 1.00 0.00 O ATOM 521 CB ASN A 32 15.729 -29.871 -11.207 1.00 0.00 C ATOM 522 CG ASN A 32 16.655 -31.046 -11.453 1.00 0.00 C ATOM 523 OD1 ASN A 32 16.205 -32.172 -11.668 1.00 0.00 O ATOM 524 ND2 ASN A 32 17.958 -30.790 -11.423 1.00 0.00 N ATOM 0 H ASN A 32 15.557 -26.717 -11.654 1.00 0.00 H new ATOM 0 HA ASN A 32 16.919 -28.904 -12.713 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.841 -29.533 -10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.695 -30.196 -11.325 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.629 -31.541 -11.582 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.287 -29.842 -11.241 1.00 0.00 H new ATOM 531 N GLN A 33 14.897 -29.355 -14.213 1.00 0.00 N ATOM 532 CA GLN A 33 13.860 -29.316 -15.237 1.00 0.00 C ATOM 533 C GLN A 33 12.476 -29.481 -14.617 1.00 0.00 C ATOM 534 O GLN A 33 11.555 -28.721 -14.918 1.00 0.00 O ATOM 535 CB GLN A 33 14.100 -30.411 -16.278 1.00 0.00 C ATOM 536 CG GLN A 33 15.063 -30.002 -17.380 1.00 0.00 C ATOM 537 CD GLN A 33 16.484 -29.829 -16.879 1.00 0.00 C ATOM 538 OE1 GLN A 33 17.042 -28.733 -16.926 1.00 0.00 O ATOM 539 NE2 GLN A 33 17.077 -30.914 -16.395 1.00 0.00 N ATOM 0 H GLN A 33 15.637 -30.035 -14.388 1.00 0.00 H new ATOM 0 HA GLN A 33 13.905 -28.343 -15.727 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.489 -31.298 -15.777 1.00 0.00 H new ATOM 0 HB3 GLN A 33 13.146 -30.691 -16.726 1.00 0.00 H new ATOM 0 HG2 GLN A 33 15.049 -30.755 -18.168 1.00 0.00 H new ATOM 0 HG3 GLN A 33 14.723 -29.068 -17.826 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.577 -31.803 -16.375 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.033 -30.859 -16.043 1.00 0.00 H new ATOM 548 N LEU A 34 12.337 -30.479 -13.751 1.00 0.00 N ATOM 549 CA LEU A 34 11.065 -30.745 -13.088 1.00 0.00 C ATOM 550 C LEU A 34 11.032 -30.111 -11.700 1.00 0.00 C ATOM 551 O LEU A 34 11.123 -30.804 -10.688 1.00 0.00 O ATOM 552 CB LEU A 34 10.830 -32.252 -12.979 1.00 0.00 C ATOM 553 CG LEU A 34 10.002 -32.885 -14.098 1.00 0.00 C ATOM 554 CD1 LEU A 34 8.592 -32.315 -14.106 1.00 0.00 C ATOM 555 CD2 LEU A 34 10.675 -32.669 -15.446 1.00 0.00 C ATOM 0 H LEU A 34 13.089 -31.117 -13.492 1.00 0.00 H new ATOM 0 HA LEU A 34 10.270 -30.302 -13.688 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.799 -32.749 -12.946 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.335 -32.455 -12.029 1.00 0.00 H new ATOM 0 HG LEU A 34 9.937 -33.957 -13.915 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.017 -32.777 -14.909 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.111 -32.521 -13.150 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.636 -31.238 -14.265 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.072 -33.126 -16.231 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.771 -31.600 -15.638 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.665 -33.126 -15.436 1.00 0.00 H new ATOM 567 N GLY A 35 10.897 -28.789 -11.662 1.00 0.00 N ATOM 568 CA GLY A 35 10.852 -28.085 -10.394 1.00 0.00 C ATOM 569 C GLY A 35 10.843 -26.579 -10.567 1.00 0.00 C ATOM 570 O GLY A 35 11.765 -26.009 -11.151 1.00 0.00 O ATOM 0 H GLY A 35 10.818 -28.193 -12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.962 -28.390 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.713 -28.373 -9.791 1.00 0.00 H new ATOM 574 N TRP A 36 9.799 -25.933 -10.061 1.00 0.00 N ATOM 575 CA TRP A 36 9.674 -24.483 -10.164 1.00 0.00 C ATOM 576 C TRP A 36 8.503 -23.977 -9.329 1.00 0.00 C ATOM 577 O TRP A 36 7.343 -24.130 -9.713 1.00 0.00 O ATOM 578 CB TRP A 36 9.491 -24.070 -11.625 1.00 0.00 C ATOM 579 CG TRP A 36 9.320 -22.592 -11.807 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.186 -21.864 -11.586 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.315 -21.662 -12.251 1.00 0.00 C ATOM 582 NE1 TRP A 36 8.416 -20.538 -11.864 1.00 0.00 N ATOM 583 CE2 TRP A 36 9.714 -20.388 -12.273 1.00 0.00 C ATOM 584 CE3 TRP A 36 11.655 -21.782 -12.629 1.00 0.00 C ATOM 585 CZ2 TRP A 36 10.408 -19.245 -12.660 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.342 -20.646 -13.013 1.00 0.00 C ATOM 587 CH2 TRP A 36 11.719 -19.392 -13.026 1.00 0.00 C ATOM 0 H TRP A 36 9.027 -26.390 -9.575 1.00 0.00 H new ATOM 0 HA TRP A 36 10.590 -24.035 -9.779 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.355 -24.402 -12.200 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.620 -24.582 -12.034 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.246 -22.271 -11.243 1.00 0.00 H new ATOM 0 HE1 TRP A 36 7.731 -19.787 -11.779 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.145 -22.745 -12.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.929 -18.277 -12.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.378 -20.727 -13.308 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.284 -18.523 -13.331 1.00 0.00 H new ATOM 598 N ARG A 37 8.813 -23.374 -8.187 1.00 0.00 N ATOM 599 CA ARG A 37 7.785 -22.846 -7.297 1.00 0.00 C ATOM 600 C ARG A 37 8.108 -21.414 -6.884 1.00 0.00 C ATOM 601 O ARG A 37 9.257 -21.085 -6.592 1.00 0.00 O ATOM 602 CB ARG A 37 7.653 -23.730 -6.055 1.00 0.00 C ATOM 603 CG ARG A 37 7.087 -25.110 -6.347 1.00 0.00 C ATOM 604 CD ARG A 37 6.708 -25.839 -5.067 1.00 0.00 C ATOM 605 NE ARG A 37 7.783 -25.806 -4.080 1.00 0.00 N ATOM 606 CZ ARG A 37 7.635 -26.195 -2.818 1.00 0.00 C ATOM 607 NH1 ARG A 37 6.462 -26.643 -2.393 1.00 0.00 N ATOM 608 NH2 ARG A 37 8.661 -26.135 -1.979 1.00 0.00 N ATOM 0 H ARG A 37 9.768 -23.238 -7.855 1.00 0.00 H new ATOM 0 HA ARG A 37 6.838 -22.845 -7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.633 -23.839 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.011 -23.229 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.210 -25.017 -6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.822 -25.697 -6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.812 -25.385 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.461 -26.875 -5.299 1.00 0.00 H new ATOM 0 HE ARG A 37 8.698 -25.466 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.671 -26.690 -3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.351 -26.941 -1.424 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.565 -25.790 -2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.546 -26.434 -1.011 1.00 0.00 H new ATOM 622 N ALA A 38 7.085 -20.565 -6.860 1.00 0.00 N ATOM 623 CA ALA A 38 7.259 -19.169 -6.481 1.00 0.00 C ATOM 624 C ALA A 38 6.347 -18.798 -5.317 1.00 0.00 C ATOM 625 O ALA A 38 5.269 -19.370 -5.155 1.00 0.00 O ATOM 626 CB ALA A 38 6.992 -18.261 -7.673 1.00 0.00 C ATOM 0 H ALA A 38 6.127 -20.821 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 38 8.291 -19.032 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.126 -17.221 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.689 -18.501 -8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.970 -18.410 -8.022 1.00 0.00 H new ATOM 632 N GLN A 39 6.787 -17.839 -4.508 1.00 0.00 N ATOM 633 CA GLN A 39 6.010 -17.395 -3.358 1.00 0.00 C ATOM 634 C GLN A 39 6.328 -15.943 -3.014 1.00 0.00 C ATOM 635 O GLN A 39 7.468 -15.607 -2.693 1.00 0.00 O ATOM 636 CB GLN A 39 6.290 -18.290 -2.149 1.00 0.00 C ATOM 637 CG GLN A 39 5.361 -19.490 -2.053 1.00 0.00 C ATOM 638 CD GLN A 39 5.302 -20.072 -0.654 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.333 -20.363 -0.047 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.093 -20.245 -0.135 1.00 0.00 N ATOM 0 H GLN A 39 7.677 -17.355 -4.628 1.00 0.00 H new ATOM 0 HA GLN A 39 4.954 -17.466 -3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.321 -18.642 -2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.199 -17.697 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.358 -19.194 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.695 -20.260 -2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.265 -19.990 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.991 -20.633 0.803 1.00 0.00 H new ATOM 649 N ARG A 40 5.313 -15.088 -3.084 1.00 0.00 N ATOM 650 CA ARG A 40 5.486 -13.672 -2.782 1.00 0.00 C ATOM 651 C ARG A 40 4.759 -13.299 -1.493 1.00 0.00 C ATOM 652 O ARG A 40 3.772 -13.930 -1.120 1.00 0.00 O ATOM 653 CB ARG A 40 4.967 -12.815 -3.939 1.00 0.00 C ATOM 654 CG ARG A 40 6.071 -12.159 -4.752 1.00 0.00 C ATOM 655 CD ARG A 40 5.566 -10.921 -5.478 1.00 0.00 C ATOM 656 NE ARG A 40 6.549 -10.405 -6.428 1.00 0.00 N ATOM 657 CZ ARG A 40 6.651 -10.828 -7.683 1.00 0.00 C ATOM 658 NH1 ARG A 40 5.834 -11.768 -8.138 1.00 0.00 N ATOM 659 NH2 ARG A 40 7.571 -10.309 -8.486 1.00 0.00 N ATOM 0 H ARG A 40 4.363 -15.351 -3.347 1.00 0.00 H new ATOM 0 HA ARG A 40 6.551 -13.482 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.362 -13.437 -4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.311 -12.041 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.896 -11.885 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.464 -12.872 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.643 -11.161 -6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.324 -10.147 -4.750 1.00 0.00 H new ATOM 0 HE ARG A 40 7.192 -9.680 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.125 -12.168 -7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.915 -12.091 -9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.200 -9.585 -8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.649 -10.634 -9.450 1.00 0.00 H new ATOM 673 N GLY A 41 5.256 -12.267 -0.817 1.00 0.00 N ATOM 674 CA GLY A 41 4.643 -11.828 0.423 1.00 0.00 C ATOM 675 C GLY A 41 5.132 -10.462 0.860 1.00 0.00 C ATOM 676 O GLY A 41 6.272 -10.085 0.586 1.00 0.00 O ATOM 0 H GLY A 41 6.072 -11.728 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.560 -11.800 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.856 -12.555 1.207 1.00 0.00 H new ATOM 680 N CYS A 42 4.269 -9.715 1.540 1.00 0.00 N ATOM 681 CA CYS A 42 4.618 -8.382 2.015 1.00 0.00 C ATOM 682 C CYS A 42 5.364 -8.455 3.344 1.00 0.00 C ATOM 683 O CYS A 42 5.206 -9.409 4.104 1.00 0.00 O ATOM 684 CB CYS A 42 3.358 -7.527 2.170 1.00 0.00 C ATOM 685 SG CYS A 42 2.467 -7.225 0.610 1.00 0.00 S ATOM 0 H CYS A 42 3.321 -10.011 1.775 1.00 0.00 H new ATOM 0 HA CYS A 42 5.274 -7.921 1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.683 -8.017 2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.634 -6.569 2.610 1.00 0.00 H new ATOM 690 N ALA A 43 6.176 -7.439 3.617 1.00 0.00 N ATOM 691 CA ALA A 43 6.945 -7.387 4.854 1.00 0.00 C ATOM 692 C ALA A 43 7.400 -5.963 5.158 1.00 0.00 C ATOM 693 O ALA A 43 6.959 -5.010 4.516 1.00 0.00 O ATOM 694 CB ALA A 43 8.144 -8.319 4.771 1.00 0.00 C ATOM 0 H ALA A 43 6.318 -6.641 2.998 1.00 0.00 H new ATOM 0 HA ALA A 43 6.299 -7.716 5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.709 -8.269 5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.800 -9.341 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.784 -8.016 3.942 1.00 0.00 H new ATOM 700 N VAL A 44 8.283 -5.826 6.141 1.00 0.00 N ATOM 701 CA VAL A 44 8.798 -4.519 6.530 1.00 0.00 C ATOM 702 C VAL A 44 10.322 -4.518 6.569 1.00 0.00 C ATOM 703 O VAL A 44 10.941 -3.551 7.013 1.00 0.00 O ATOM 704 CB VAL A 44 8.260 -4.091 7.908 1.00 0.00 C ATOM 705 CG1 VAL A 44 6.814 -3.632 7.798 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.392 -5.230 8.908 1.00 0.00 C ATOM 0 H VAL A 44 8.657 -6.605 6.683 1.00 0.00 H new ATOM 0 HA VAL A 44 8.456 -3.808 5.778 1.00 0.00 H new ATOM 0 HB VAL A 44 8.856 -3.252 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.451 -3.334 8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.752 -2.784 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.201 -4.449 7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.007 -4.910 9.876 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.822 -6.090 8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.442 -5.507 9.008 1.00 0.00 H new ATOM 716 N SER A 45 10.922 -5.608 6.102 1.00 0.00 N ATOM 717 CA SER A 45 12.374 -5.735 6.087 1.00 0.00 C ATOM 718 C SER A 45 12.843 -6.456 4.827 1.00 0.00 C ATOM 719 O SER A 45 12.041 -7.030 4.090 1.00 0.00 O ATOM 720 CB SER A 45 12.855 -6.489 7.328 1.00 0.00 C ATOM 721 OG SER A 45 12.227 -7.756 7.430 1.00 0.00 O ATOM 0 H SER A 45 10.424 -6.416 5.729 1.00 0.00 H new ATOM 0 HA SER A 45 12.801 -4.732 6.092 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.936 -6.618 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.641 -5.901 8.220 1.00 0.00 H new ATOM 0 HG SER A 45 12.552 -8.219 8.230 1.00 0.00 H new ATOM 727 N CYS A 46 14.149 -6.421 4.584 1.00 0.00 N ATOM 728 CA CYS A 46 14.728 -7.070 3.414 1.00 0.00 C ATOM 729 C CYS A 46 15.669 -8.198 3.827 1.00 0.00 C ATOM 730 O CYS A 46 16.892 -8.056 3.813 1.00 0.00 O ATOM 731 CB CYS A 46 15.482 -6.049 2.560 1.00 0.00 C ATOM 732 SG CYS A 46 14.552 -5.465 1.106 1.00 0.00 S ATOM 0 H CYS A 46 14.827 -5.949 5.183 1.00 0.00 H new ATOM 0 HA CYS A 46 13.915 -7.496 2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.740 -5.191 3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.419 -6.493 2.224 1.00 0.00 H new ATOM 737 N PRO A 47 15.087 -9.346 4.203 1.00 0.00 N ATOM 738 CA PRO A 47 15.855 -10.521 4.627 1.00 0.00 C ATOM 739 C PRO A 47 16.609 -11.169 3.470 1.00 0.00 C ATOM 740 O PRO A 47 16.692 -10.607 2.378 1.00 0.00 O ATOM 741 CB PRO A 47 14.781 -11.471 5.164 1.00 0.00 C ATOM 742 CG PRO A 47 13.533 -11.071 4.456 1.00 0.00 C ATOM 743 CD PRO A 47 13.635 -9.586 4.244 1.00 0.00 C ATOM 0 HA PRO A 47 16.622 -10.265 5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.035 -12.511 4.961 1.00 0.00 H new ATOM 0 HB3 PRO A 47 14.672 -11.375 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.439 -11.595 3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.652 -11.321 5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.151 -9.278 3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.159 -9.031 5.052 1.00 0.00 H new ATOM 751 N LYS A 48 17.157 -12.353 3.717 1.00 0.00 N ATOM 752 CA LYS A 48 17.903 -13.079 2.696 1.00 0.00 C ATOM 753 C LYS A 48 17.468 -14.540 2.640 1.00 0.00 C ATOM 754 O LYS A 48 16.464 -14.922 3.239 1.00 0.00 O ATOM 755 CB LYS A 48 19.405 -12.994 2.976 1.00 0.00 C ATOM 756 CG LYS A 48 19.854 -13.844 4.151 1.00 0.00 C ATOM 757 CD LYS A 48 19.424 -13.237 5.476 1.00 0.00 C ATOM 758 CE LYS A 48 20.427 -13.537 6.579 1.00 0.00 C ATOM 759 NZ LYS A 48 19.948 -13.063 7.908 1.00 0.00 N ATOM 0 H LYS A 48 17.099 -12.831 4.616 1.00 0.00 H new ATOM 0 HA LYS A 48 17.692 -12.618 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.950 -13.304 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.672 -11.955 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.436 -14.846 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.939 -13.948 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.316 -12.158 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.446 -13.628 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.611 -14.611 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.378 -13.060 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.659 -13.286 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.797 -12.035 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.053 -13.537 8.144 1.00 0.00 H new ATOM 773 N ALA A 49 18.231 -15.353 1.916 1.00 0.00 N ATOM 774 CA ALA A 49 17.926 -16.772 1.785 1.00 0.00 C ATOM 775 C ALA A 49 19.164 -17.565 1.380 1.00 0.00 C ATOM 776 O ALA A 49 20.282 -17.049 1.410 1.00 0.00 O ATOM 777 CB ALA A 49 16.810 -16.980 0.773 1.00 0.00 C ATOM 0 H ALA A 49 19.065 -15.053 1.411 1.00 0.00 H new ATOM 0 HA ALA A 49 17.594 -17.138 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.592 -18.044 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.915 -16.453 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.121 -16.592 -0.197 1.00 0.00 H new ATOM 783 N LYS A 50 18.959 -18.822 1.002 1.00 0.00 N ATOM 784 CA LYS A 50 20.058 -19.687 0.590 1.00 0.00 C ATOM 785 C LYS A 50 20.527 -19.337 -0.819 1.00 0.00 C ATOM 786 O LYS A 50 19.807 -18.720 -1.604 1.00 0.00 O ATOM 787 CB LYS A 50 19.628 -21.154 0.646 1.00 0.00 C ATOM 788 CG LYS A 50 19.866 -21.807 1.996 1.00 0.00 C ATOM 789 CD LYS A 50 18.963 -23.012 2.200 1.00 0.00 C ATOM 790 CE LYS A 50 19.545 -23.978 3.221 1.00 0.00 C ATOM 791 NZ LYS A 50 18.663 -25.158 3.434 1.00 0.00 N ATOM 0 H LYS A 50 18.041 -19.265 0.972 1.00 0.00 H new ATOM 0 HA LYS A 50 20.888 -19.532 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.568 -21.223 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.169 -21.712 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.909 -22.115 2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.689 -21.080 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.980 -22.679 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.821 -23.527 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.526 -24.314 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.693 -23.459 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.095 -25.792 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.735 -24.840 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.542 -25.668 2.536 1.00 0.00 H new ATOM 805 N PRO A 51 21.764 -19.740 -1.148 1.00 0.00 N ATOM 806 CA PRO A 51 22.356 -19.481 -2.464 1.00 0.00 C ATOM 807 C PRO A 51 21.690 -20.294 -3.569 1.00 0.00 C ATOM 808 O PRO A 51 21.887 -20.027 -4.754 1.00 0.00 O ATOM 809 CB PRO A 51 23.814 -19.912 -2.288 1.00 0.00 C ATOM 810 CG PRO A 51 23.782 -20.914 -1.186 1.00 0.00 C ATOM 811 CD PRO A 51 22.678 -20.479 -0.262 1.00 0.00 C ATOM 0 HA PRO A 51 22.238 -18.440 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.212 -20.345 -3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.450 -19.064 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.594 -21.915 -1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.738 -20.949 -0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.184 -21.332 0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.053 -19.849 0.544 1.00 0.00 H new ATOM 819 N ASN A 52 20.901 -21.288 -3.173 1.00 0.00 N ATOM 820 CA ASN A 52 20.206 -22.140 -4.131 1.00 0.00 C ATOM 821 C ASN A 52 18.911 -21.485 -4.603 1.00 0.00 C ATOM 822 O ASN A 52 18.649 -21.401 -5.802 1.00 0.00 O ATOM 823 CB ASN A 52 19.903 -23.503 -3.506 1.00 0.00 C ATOM 824 CG ASN A 52 21.151 -24.191 -2.986 1.00 0.00 C ATOM 825 OD1 ASN A 52 21.822 -24.919 -3.717 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.466 -23.963 -1.716 1.00 0.00 N ATOM 0 H ASN A 52 20.727 -21.523 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 52 20.857 -22.280 -4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.194 -23.375 -2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.422 -24.141 -4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.294 -24.399 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.880 -23.352 -1.147 1.00 0.00 H new ATOM 833 N GLU A 53 18.107 -21.023 -3.651 1.00 0.00 N ATOM 834 CA GLU A 53 16.840 -20.376 -3.969 1.00 0.00 C ATOM 835 C GLU A 53 17.068 -18.963 -4.497 1.00 0.00 C ATOM 836 O GLU A 53 18.207 -18.511 -4.625 1.00 0.00 O ATOM 837 CB GLU A 53 15.939 -20.332 -2.733 1.00 0.00 C ATOM 838 CG GLU A 53 16.352 -19.280 -1.718 1.00 0.00 C ATOM 839 CD GLU A 53 15.613 -17.969 -1.903 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.385 -17.941 -1.674 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.262 -16.970 -2.277 1.00 0.00 O ATOM 0 H GLU A 53 18.311 -21.085 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 53 16.348 -20.961 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.913 -20.139 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.946 -21.311 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.167 -19.658 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 53 17.424 -19.103 -1.800 1.00 0.00 H new ATOM 848 N THR A 54 15.977 -18.268 -4.804 1.00 0.00 N ATOM 849 CA THR A 54 16.056 -16.908 -5.319 1.00 0.00 C ATOM 850 C THR A 54 15.093 -15.984 -4.583 1.00 0.00 C ATOM 851 O THR A 54 13.899 -16.267 -4.484 1.00 0.00 O ATOM 852 CB THR A 54 15.746 -16.859 -6.827 1.00 0.00 C ATOM 853 OG1 THR A 54 16.507 -17.857 -7.517 1.00 0.00 O ATOM 854 CG2 THR A 54 16.062 -15.486 -7.401 1.00 0.00 C ATOM 0 H THR A 54 15.027 -18.626 -4.704 1.00 0.00 H new ATOM 0 HA THR A 54 17.078 -16.567 -5.155 1.00 0.00 H new ATOM 0 HB THR A 54 14.683 -17.056 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.990 -18.194 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.835 -15.476 -8.467 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.459 -14.732 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.119 -15.264 -7.253 1.00 0.00 H new ATOM 862 N VAL A 55 15.618 -14.876 -4.070 1.00 0.00 N ATOM 863 CA VAL A 55 14.803 -13.908 -3.344 1.00 0.00 C ATOM 864 C VAL A 55 15.056 -12.491 -3.846 1.00 0.00 C ATOM 865 O VAL A 55 16.193 -12.119 -4.136 1.00 0.00 O ATOM 866 CB VAL A 55 15.082 -13.963 -1.830 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.687 -12.653 -1.167 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.348 -15.135 -1.196 1.00 0.00 C ATOM 0 H VAL A 55 16.604 -14.626 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 55 13.761 -14.173 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 55 16.151 -14.110 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.891 -12.710 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 55 15.263 -11.836 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.624 -12.472 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.556 -15.159 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.276 -15.021 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.686 -16.066 -1.652 1.00 0.00 H new ATOM 878 N GLN A 56 13.989 -11.705 -3.945 1.00 0.00 N ATOM 879 CA GLN A 56 14.096 -10.328 -4.412 1.00 0.00 C ATOM 880 C GLN A 56 13.064 -9.439 -3.725 1.00 0.00 C ATOM 881 O GLN A 56 11.875 -9.495 -4.038 1.00 0.00 O ATOM 882 CB GLN A 56 13.912 -10.266 -5.929 1.00 0.00 C ATOM 883 CG GLN A 56 12.686 -11.016 -6.424 1.00 0.00 C ATOM 884 CD GLN A 56 13.032 -12.358 -7.039 1.00 0.00 C ATOM 885 OE1 GLN A 56 13.121 -12.490 -8.260 1.00 0.00 O ATOM 886 NE2 GLN A 56 13.229 -13.363 -6.194 1.00 0.00 N ATOM 0 H GLN A 56 13.041 -11.998 -3.708 1.00 0.00 H new ATOM 0 HA GLN A 56 15.091 -9.961 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.838 -9.223 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.799 -10.677 -6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.998 -11.168 -5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.165 -10.406 -7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.145 -13.208 -5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.464 -14.290 -6.550 1.00 0.00 H new ATOM 895 N CYS A 57 13.527 -8.618 -2.788 1.00 0.00 N ATOM 896 CA CYS A 57 12.646 -7.717 -2.056 1.00 0.00 C ATOM 897 C CYS A 57 12.641 -6.328 -2.688 1.00 0.00 C ATOM 898 O CYS A 57 13.681 -5.825 -3.117 1.00 0.00 O ATOM 899 CB CYS A 57 13.080 -7.622 -0.592 1.00 0.00 C ATOM 900 SG CYS A 57 14.693 -6.811 -0.347 1.00 0.00 S ATOM 0 H CYS A 57 14.509 -8.559 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 57 11.635 -8.122 -2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.321 -7.074 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.122 -8.626 -0.171 1.00 0.00 H new ATOM 905 N CYS A 58 11.465 -5.713 -2.742 1.00 0.00 N ATOM 906 CA CYS A 58 11.323 -4.382 -3.321 1.00 0.00 C ATOM 907 C CYS A 58 10.530 -3.467 -2.393 1.00 0.00 C ATOM 908 O CYS A 58 9.570 -3.896 -1.753 1.00 0.00 O ATOM 909 CB CYS A 58 10.634 -4.467 -4.684 1.00 0.00 C ATOM 910 SG CYS A 58 11.738 -4.149 -6.098 1.00 0.00 S ATOM 0 H CYS A 58 10.596 -6.115 -2.392 1.00 0.00 H new ATOM 0 HA CYS A 58 12.320 -3.961 -3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.195 -5.458 -4.796 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.813 -3.750 -4.709 1.00 0.00 H new ATOM 915 N SER A 59 10.938 -2.203 -2.327 1.00 0.00 N ATOM 916 CA SER A 59 10.267 -1.228 -1.475 1.00 0.00 C ATOM 917 C SER A 59 9.859 0.004 -2.277 1.00 0.00 C ATOM 918 O SER A 59 9.868 1.124 -1.765 1.00 0.00 O ATOM 919 CB SER A 59 11.180 -0.817 -0.318 1.00 0.00 C ATOM 920 OG SER A 59 12.446 -0.391 -0.793 1.00 0.00 O ATOM 0 H SER A 59 11.729 -1.831 -2.853 1.00 0.00 H new ATOM 0 HA SER A 59 9.367 -1.693 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.712 -0.013 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.308 -1.657 0.364 1.00 0.00 H new ATOM 0 HG SER A 59 13.010 -0.132 -0.034 1.00 0.00 H new ATOM 926 N THR A 60 9.500 -0.211 -3.539 1.00 0.00 N ATOM 927 CA THR A 60 9.089 0.880 -4.413 1.00 0.00 C ATOM 928 C THR A 60 7.867 0.493 -5.238 1.00 0.00 C ATOM 929 O THR A 60 7.591 -0.690 -5.439 1.00 0.00 O ATOM 930 CB THR A 60 10.227 1.295 -5.366 1.00 0.00 C ATOM 931 OG1 THR A 60 11.318 0.375 -5.255 1.00 0.00 O ATOM 932 CG2 THR A 60 10.709 2.703 -5.051 1.00 0.00 C ATOM 0 H THR A 60 9.486 -1.131 -3.978 1.00 0.00 H new ATOM 0 HA THR A 60 8.837 1.723 -3.770 1.00 0.00 H new ATOM 0 HB THR A 60 9.842 1.280 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.036 0.644 -5.865 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.512 2.974 -5.736 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.882 3.404 -5.165 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.078 2.740 -4.026 1.00 0.00 H new ATOM 940 N ASP A 61 7.138 1.497 -5.713 1.00 0.00 N ATOM 941 CA ASP A 61 5.945 1.262 -6.518 1.00 0.00 C ATOM 942 C ASP A 61 6.315 0.693 -7.884 1.00 0.00 C ATOM 943 O ASP A 61 7.173 1.235 -8.582 1.00 0.00 O ATOM 944 CB ASP A 61 5.154 2.560 -6.688 1.00 0.00 C ATOM 945 CG ASP A 61 3.691 2.398 -6.329 1.00 0.00 C ATOM 946 OD1 ASP A 61 3.350 2.570 -5.140 1.00 0.00 O ATOM 947 OD2 ASP A 61 2.886 2.098 -7.236 1.00 0.00 O ATOM 0 H ASP A 61 7.352 2.482 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 61 5.323 0.533 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.595 3.335 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.236 2.899 -7.721 1.00 0.00 H new ATOM 952 N LYS A 62 5.663 -0.402 -8.260 1.00 0.00 N ATOM 953 CA LYS A 62 5.922 -1.044 -9.543 1.00 0.00 C ATOM 954 C LYS A 62 7.360 -1.547 -9.619 1.00 0.00 C ATOM 955 O LYS A 62 7.898 -1.759 -10.707 1.00 0.00 O ATOM 956 CB LYS A 62 5.650 -0.068 -10.690 1.00 0.00 C ATOM 957 CG LYS A 62 4.278 0.579 -10.625 1.00 0.00 C ATOM 958 CD LYS A 62 3.337 -0.002 -11.667 1.00 0.00 C ATOM 959 CE LYS A 62 3.779 0.355 -13.078 1.00 0.00 C ATOM 960 NZ LYS A 62 3.953 1.824 -13.250 1.00 0.00 N ATOM 0 H LYS A 62 4.951 -0.863 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 62 5.251 -1.898 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.411 0.712 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.748 -0.598 -11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.854 0.436 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.374 1.654 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.299 -1.086 -11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.327 0.371 -11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.718 -0.151 -13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.041 -0.009 -13.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.935 2.059 -14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.181 2.324 -12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.865 2.116 -12.843 1.00 0.00 H new ATOM 974 N CYS A 63 7.978 -1.737 -8.458 1.00 0.00 N ATOM 975 CA CYS A 63 9.354 -2.216 -8.393 1.00 0.00 C ATOM 976 C CYS A 63 9.398 -3.741 -8.360 1.00 0.00 C ATOM 977 O CYS A 63 10.123 -4.367 -9.131 1.00 0.00 O ATOM 978 CB CYS A 63 10.055 -1.647 -7.158 1.00 0.00 C ATOM 979 SG CYS A 63 11.694 -2.374 -6.833 1.00 0.00 S ATOM 0 H CYS A 63 7.548 -1.567 -7.549 1.00 0.00 H new ATOM 0 HA CYS A 63 9.875 -1.875 -9.288 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.165 -0.569 -7.280 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.419 -1.806 -6.287 1.00 0.00 H new ATOM 984 N ASN A 64 8.617 -4.330 -7.461 1.00 0.00 N ATOM 985 CA ASN A 64 8.566 -5.782 -7.327 1.00 0.00 C ATOM 986 C ASN A 64 8.337 -6.446 -8.681 1.00 0.00 C ATOM 987 O ASN A 64 7.260 -6.333 -9.266 1.00 0.00 O ATOM 988 CB ASN A 64 7.458 -6.187 -6.354 1.00 0.00 C ATOM 989 CG ASN A 64 7.861 -7.352 -5.471 1.00 0.00 C ATOM 990 OD1 ASN A 64 9.047 -7.634 -5.299 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.872 -8.037 -4.907 1.00 0.00 N ATOM 0 H ASN A 64 8.011 -3.825 -6.814 1.00 0.00 H new ATOM 0 HA ASN A 64 9.526 -6.119 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.198 -5.333 -5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.564 -6.454 -6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.082 -8.832 -4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.903 -7.768 -5.077 1.00 0.00 H new ATOM 998 N LYS A 65 9.358 -7.139 -9.175 1.00 0.00 N ATOM 999 CA LYS A 65 9.269 -7.823 -10.459 1.00 0.00 C ATOM 1000 C LYS A 65 9.715 -9.277 -10.333 1.00 0.00 C ATOM 1001 O LYS A 65 9.491 -10.085 -11.234 1.00 0.00 O ATOM 1002 CB LYS A 65 10.126 -7.104 -11.504 1.00 0.00 C ATOM 1003 CG LYS A 65 11.617 -7.193 -11.232 1.00 0.00 C ATOM 1004 CD LYS A 65 12.268 -8.300 -12.044 1.00 0.00 C ATOM 1005 CE LYS A 65 13.669 -7.915 -12.491 1.00 0.00 C ATOM 1006 NZ LYS A 65 13.647 -7.058 -13.708 1.00 0.00 N ATOM 0 H LYS A 65 10.257 -7.241 -8.705 1.00 0.00 H new ATOM 0 HA LYS A 65 8.227 -7.807 -10.779 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.918 -7.528 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.834 -6.055 -11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.089 -6.240 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.784 -7.374 -10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.313 -9.211 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.654 -8.521 -12.917 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.175 -7.386 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.247 -8.817 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.621 -6.817 -13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.187 -7.572 -14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.118 -6.185 -13.509 1.00 0.00 H new TER 1020 LYS A 65