USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=10 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.527 (180deg=0.0385) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.589 K(o=-0.59,f=-3.6!) USER MOD Single : A 10 THR OG1 : rot -90:sc= -0.154 USER MOD Single : A 13 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.011) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= -0.0874 (180deg=-0.16) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0316 K(o=-0.032,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.35) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 72:sc= 0.894 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.692 -16.352 -12.459 1.00 0.00 N ATOM 2 CA MET A 1 -8.630 -15.321 -12.031 1.00 0.00 C ATOM 3 C MET A 1 -9.184 -15.633 -10.644 1.00 0.00 C ATOM 4 O MET A 1 -10.392 -15.559 -10.416 1.00 0.00 O ATOM 5 CB MET A 1 -9.778 -15.197 -13.035 1.00 0.00 C ATOM 6 CG MET A 1 -9.341 -14.675 -14.395 1.00 0.00 C ATOM 7 SD MET A 1 -8.928 -16.000 -15.547 1.00 0.00 S ATOM 8 CE MET A 1 -10.553 -16.425 -16.170 1.00 0.00 C ATOM 0 H1 MET A 1 -7.800 -16.517 -13.480 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.720 -16.041 -12.259 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.886 -17.234 -11.943 1.00 0.00 H new ATOM 0 HA MET A 1 -8.094 -14.373 -11.985 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.246 -16.173 -13.163 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.538 -14.531 -12.626 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.139 -14.065 -14.819 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.475 -14.025 -14.269 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.464 -17.233 -16.896 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.187 -16.747 -15.344 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.998 -15.553 -16.650 1.00 0.00 H new ATOM 18 N VAL A 2 -8.294 -15.981 -9.721 1.00 0.00 N ATOM 19 CA VAL A 2 -8.694 -16.303 -8.356 1.00 0.00 C ATOM 20 C VAL A 2 -7.652 -15.827 -7.351 1.00 0.00 C ATOM 21 O VAL A 2 -7.291 -16.552 -6.424 1.00 0.00 O ATOM 22 CB VAL A 2 -8.910 -17.818 -8.177 1.00 0.00 C ATOM 23 CG1 VAL A 2 -10.097 -18.290 -9.002 1.00 0.00 C ATOM 24 CG2 VAL A 2 -7.650 -18.583 -8.555 1.00 0.00 C ATOM 0 H VAL A 2 -7.291 -16.047 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.635 -15.785 -8.172 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.127 -18.015 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.234 -19.362 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.996 -17.765 -8.680 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.913 -18.082 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.820 -19.652 -8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.401 -18.381 -9.597 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.826 -18.265 -7.917 1.00 0.00 H new ATOM 34 N SER A 3 -7.173 -14.601 -7.539 1.00 0.00 N ATOM 35 CA SER A 3 -6.169 -14.028 -6.651 1.00 0.00 C ATOM 36 C SER A 3 -6.667 -14.008 -5.209 1.00 0.00 C ATOM 37 O SER A 3 -7.457 -13.146 -4.827 1.00 0.00 O ATOM 38 CB SER A 3 -5.812 -12.609 -7.098 1.00 0.00 C ATOM 39 OG SER A 3 -4.409 -12.410 -7.089 1.00 0.00 O ATOM 0 H SER A 3 -7.464 -13.986 -8.299 1.00 0.00 H new ATOM 0 HA SER A 3 -5.277 -14.653 -6.701 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.201 -12.431 -8.100 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.290 -11.885 -6.438 1.00 0.00 H new ATOM 0 HG SER A 3 -4.206 -11.496 -7.380 1.00 0.00 H new ATOM 45 N GLN A 4 -6.199 -14.966 -4.415 1.00 0.00 N ATOM 46 CA GLN A 4 -6.598 -15.059 -3.015 1.00 0.00 C ATOM 47 C GLN A 4 -5.376 -15.139 -2.106 1.00 0.00 C ATOM 48 O GLN A 4 -4.472 -15.943 -2.331 1.00 0.00 O ATOM 49 CB GLN A 4 -7.490 -16.282 -2.798 1.00 0.00 C ATOM 50 CG GLN A 4 -8.870 -16.147 -3.421 1.00 0.00 C ATOM 51 CD GLN A 4 -9.985 -16.472 -2.447 1.00 0.00 C ATOM 52 OE1 GLN A 4 -9.858 -16.248 -1.243 1.00 0.00 O ATOM 53 NE2 GLN A 4 -11.087 -17.003 -2.964 1.00 0.00 N ATOM 0 H GLN A 4 -5.544 -15.688 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.159 -14.159 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.997 -17.160 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.599 -16.456 -1.728 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.000 -15.129 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.941 -16.810 -4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.149 -17.172 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.871 -17.242 -2.357 1.00 0.00 H new ATOM 62 N LYS A 5 -5.356 -14.299 -1.076 1.00 0.00 N ATOM 63 CA LYS A 5 -4.246 -14.274 -0.131 1.00 0.00 C ATOM 64 C LYS A 5 -4.705 -14.704 1.259 1.00 0.00 C ATOM 65 O LYS A 5 -5.303 -13.920 1.995 1.00 0.00 O ATOM 66 CB LYS A 5 -3.635 -12.872 -0.067 1.00 0.00 C ATOM 67 CG LYS A 5 -3.141 -12.362 -1.409 1.00 0.00 C ATOM 68 CD LYS A 5 -2.247 -11.144 -1.248 1.00 0.00 C ATOM 69 CE LYS A 5 -2.994 -9.858 -1.569 1.00 0.00 C ATOM 70 NZ LYS A 5 -2.553 -9.269 -2.864 1.00 0.00 N ATOM 0 H LYS A 5 -6.096 -13.627 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.490 -14.978 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.379 -12.178 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.804 -12.879 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.592 -13.153 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.994 -12.108 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.869 -11.101 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.382 -11.237 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.064 -10.060 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.834 -9.136 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.085 -8.394 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.537 -9.053 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.729 -9.948 -3.632 1.00 0.00 H new ATOM 84 N ASN A 6 -4.420 -15.953 1.611 1.00 0.00 N ATOM 85 CA ASN A 6 -4.803 -16.486 2.913 1.00 0.00 C ATOM 86 C ASN A 6 -4.241 -17.890 3.113 1.00 0.00 C ATOM 87 O ASN A 6 -4.934 -18.785 3.596 1.00 0.00 O ATOM 88 CB ASN A 6 -6.327 -16.511 3.049 1.00 0.00 C ATOM 89 CG ASN A 6 -6.975 -17.507 2.107 1.00 0.00 C ATOM 90 OD1 ASN A 6 -6.337 -18.009 1.182 1.00 0.00 O ATOM 91 ND2 ASN A 6 -8.250 -17.798 2.340 1.00 0.00 N ATOM 0 H ASN A 6 -3.925 -16.615 1.013 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.387 -15.834 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.593 -16.760 4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.723 -15.515 2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.739 -18.462 1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.740 -17.357 3.119 1.00 0.00 H new ATOM 98 N GLY A 7 -2.979 -18.076 2.738 1.00 0.00 N ATOM 99 CA GLY A 7 -2.344 -19.372 2.884 1.00 0.00 C ATOM 100 C GLY A 7 -0.907 -19.372 2.402 1.00 0.00 C ATOM 101 O GLY A 7 -0.162 -18.424 2.651 1.00 0.00 O ATOM 0 H GLY A 7 -2.385 -17.351 2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.372 -19.671 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.911 -20.116 2.325 1.00 0.00 H new ATOM 105 N ILE A 8 -0.516 -20.438 1.711 1.00 0.00 N ATOM 106 CA ILE A 8 0.841 -20.557 1.193 1.00 0.00 C ATOM 107 C ILE A 8 0.927 -20.056 -0.244 1.00 0.00 C ATOM 108 O ILE A 8 1.984 -19.618 -0.697 1.00 0.00 O ATOM 109 CB ILE A 8 1.339 -22.013 1.248 1.00 0.00 C ATOM 110 CG1 ILE A 8 1.080 -22.612 2.632 1.00 0.00 C ATOM 111 CG2 ILE A 8 2.819 -22.080 0.905 1.00 0.00 C ATOM 112 CD1 ILE A 8 -0.113 -23.541 2.675 1.00 0.00 C ATOM 0 H ILE A 8 -1.120 -21.232 1.497 1.00 0.00 H new ATOM 0 HA ILE A 8 1.476 -19.940 1.829 1.00 0.00 H new ATOM 0 HB ILE A 8 0.788 -22.597 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.967 -23.158 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.926 -21.803 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.156 -23.116 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.978 -21.688 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.386 -21.484 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.236 -23.928 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.010 -22.995 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.047 -24.370 1.986 1.00 0.00 H new ATOM 124 N ALA A 9 -0.193 -20.122 -0.956 1.00 0.00 N ATOM 125 CA ALA A 9 -0.246 -19.672 -2.341 1.00 0.00 C ATOM 126 C ALA A 9 0.225 -18.227 -2.467 1.00 0.00 C ATOM 127 O ALA A 9 0.702 -17.807 -3.522 1.00 0.00 O ATOM 128 CB ALA A 9 -1.657 -19.819 -2.891 1.00 0.00 C ATOM 0 H ALA A 9 -1.076 -20.483 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 9 0.427 -20.299 -2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.681 -19.479 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.958 -20.866 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.344 -19.218 -2.296 1.00 0.00 H new ATOM 134 N THR A 10 0.087 -17.468 -1.384 1.00 0.00 N ATOM 135 CA THR A 10 0.496 -16.069 -1.374 1.00 0.00 C ATOM 136 C THR A 10 1.945 -15.917 -1.821 1.00 0.00 C ATOM 137 O THR A 10 2.285 -14.988 -2.555 1.00 0.00 O ATOM 138 CB THR A 10 0.334 -15.447 0.026 1.00 0.00 C ATOM 139 OG1 THR A 10 0.392 -16.470 1.026 1.00 0.00 O ATOM 140 CG2 THR A 10 -0.984 -14.697 0.136 1.00 0.00 C ATOM 0 H THR A 10 -0.305 -17.799 -0.502 1.00 0.00 H new ATOM 0 HA THR A 10 -0.154 -15.544 -2.074 1.00 0.00 H new ATOM 0 HB THR A 10 1.149 -14.740 0.182 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.511 -16.811 1.198 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.076 -14.267 1.133 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.012 -13.900 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.810 -15.386 -0.039 1.00 0.00 H new ATOM 148 N LEU A 11 2.796 -16.834 -1.375 1.00 0.00 N ATOM 149 CA LEU A 11 4.211 -16.803 -1.730 1.00 0.00 C ATOM 150 C LEU A 11 4.407 -17.102 -3.213 1.00 0.00 C ATOM 151 O LEU A 11 5.160 -16.413 -3.902 1.00 0.00 O ATOM 152 CB LEU A 11 4.991 -17.813 -0.887 1.00 0.00 C ATOM 153 CG LEU A 11 6.401 -17.392 -0.470 1.00 0.00 C ATOM 154 CD1 LEU A 11 6.771 -18.016 0.867 1.00 0.00 C ATOM 155 CD2 LEU A 11 7.412 -17.778 -1.539 1.00 0.00 C ATOM 0 H LEU A 11 2.531 -17.609 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 11 4.589 -15.801 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.415 -18.026 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.062 -18.745 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 11 6.417 -16.308 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.777 -17.705 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.064 -17.688 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.737 -19.102 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.409 -17.470 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.394 -18.858 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.158 -17.282 -2.476 1.00 0.00 H new ATOM 167 N LEU A 12 3.723 -18.131 -3.699 1.00 0.00 N ATOM 168 CA LEU A 12 3.819 -18.521 -5.101 1.00 0.00 C ATOM 169 C LEU A 12 3.266 -17.427 -6.009 1.00 0.00 C ATOM 170 O LEU A 12 3.722 -17.257 -7.139 1.00 0.00 O ATOM 171 CB LEU A 12 3.064 -19.829 -5.341 1.00 0.00 C ATOM 172 CG LEU A 12 3.807 -21.112 -4.967 1.00 0.00 C ATOM 173 CD1 LEU A 12 2.889 -22.061 -4.213 1.00 0.00 C ATOM 174 CD2 LEU A 12 4.369 -21.785 -6.210 1.00 0.00 C ATOM 0 H LEU A 12 3.095 -18.711 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 12 4.872 -18.669 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.132 -19.796 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.797 -19.882 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 12 4.639 -20.849 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.436 -22.968 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.537 -21.579 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.036 -22.317 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.894 -22.696 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.554 -22.034 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.062 -21.108 -6.709 1.00 0.00 H new ATOM 186 N GLN A 13 2.282 -16.689 -5.506 1.00 0.00 N ATOM 187 CA GLN A 13 1.668 -15.611 -6.272 1.00 0.00 C ATOM 188 C GLN A 13 2.637 -14.445 -6.444 1.00 0.00 C ATOM 189 O GLN A 13 2.770 -13.893 -7.536 1.00 0.00 O ATOM 190 CB GLN A 13 0.391 -15.129 -5.582 1.00 0.00 C ATOM 191 CG GLN A 13 -0.845 -15.210 -6.463 1.00 0.00 C ATOM 192 CD GLN A 13 -1.129 -16.620 -6.941 1.00 0.00 C ATOM 193 OE1 GLN A 13 -1.399 -17.517 -6.142 1.00 0.00 O ATOM 194 NE2 GLN A 13 -1.071 -16.825 -8.252 1.00 0.00 N ATOM 0 H GLN A 13 1.893 -16.818 -4.572 1.00 0.00 H new ATOM 0 HA GLN A 13 1.415 -15.999 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.226 -15.725 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.530 -14.097 -5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.707 -14.838 -5.909 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.715 -14.557 -7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.844 -16.053 -8.879 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.254 -17.754 -8.632 1.00 0.00 H new ATOM 203 N ALA A 14 3.311 -14.077 -5.360 1.00 0.00 N ATOM 204 CA ALA A 14 4.269 -12.979 -5.392 1.00 0.00 C ATOM 205 C ALA A 14 5.492 -13.341 -6.227 1.00 0.00 C ATOM 206 O ALA A 14 5.984 -12.527 -7.008 1.00 0.00 O ATOM 207 CB ALA A 14 4.686 -12.601 -3.978 1.00 0.00 C ATOM 0 H ALA A 14 3.211 -14.523 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 14 3.785 -12.121 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.402 -11.780 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.809 -12.291 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.147 -13.461 -3.492 1.00 0.00 H new ATOM 213 N GLU A 15 5.977 -14.567 -6.057 1.00 0.00 N ATOM 214 CA GLU A 15 7.144 -15.035 -6.796 1.00 0.00 C ATOM 215 C GLU A 15 6.843 -15.126 -8.289 1.00 0.00 C ATOM 216 O GLU A 15 7.636 -14.686 -9.122 1.00 0.00 O ATOM 217 CB GLU A 15 7.593 -16.400 -6.271 1.00 0.00 C ATOM 218 CG GLU A 15 8.972 -16.815 -6.757 1.00 0.00 C ATOM 219 CD GLU A 15 9.996 -16.858 -5.639 1.00 0.00 C ATOM 220 OE1 GLU A 15 9.999 -17.846 -4.875 1.00 0.00 O ATOM 221 OE2 GLU A 15 10.794 -15.903 -5.528 1.00 0.00 O ATOM 0 H GLU A 15 5.581 -15.253 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 15 7.948 -14.314 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.592 -16.379 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.867 -17.154 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.908 -17.798 -7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.307 -16.118 -7.525 1.00 0.00 H new ATOM 228 N LYS A 16 5.691 -15.699 -8.620 1.00 0.00 N ATOM 229 CA LYS A 16 5.282 -15.848 -10.012 1.00 0.00 C ATOM 230 C LYS A 16 5.094 -14.487 -10.672 1.00 0.00 C ATOM 231 O LYS A 16 5.626 -14.233 -11.753 1.00 0.00 O ATOM 232 CB LYS A 16 3.984 -16.654 -10.100 1.00 0.00 C ATOM 233 CG LYS A 16 3.605 -17.043 -11.518 1.00 0.00 C ATOM 234 CD LYS A 16 2.259 -17.746 -11.563 1.00 0.00 C ATOM 235 CE LYS A 16 2.322 -19.114 -10.900 1.00 0.00 C ATOM 236 NZ LYS A 16 1.045 -19.864 -11.053 1.00 0.00 N ATOM 0 H LYS A 16 5.023 -16.068 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 16 6.071 -16.383 -10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.086 -17.558 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.173 -16.071 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.572 -16.151 -12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.372 -17.696 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.510 -17.132 -11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.940 -17.857 -12.599 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.137 -19.692 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.548 -18.994 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.129 -20.790 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.271 -19.325 -10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.842 -20.001 -12.064 1.00 0.00 H new ATOM 250 N GLU A 17 4.337 -13.614 -10.015 1.00 0.00 N ATOM 251 CA GLU A 17 4.080 -12.278 -10.540 1.00 0.00 C ATOM 252 C GLU A 17 5.386 -11.521 -10.761 1.00 0.00 C ATOM 253 O GLU A 17 5.592 -10.910 -11.809 1.00 0.00 O ATOM 254 CB GLU A 17 3.179 -11.494 -9.583 1.00 0.00 C ATOM 255 CG GLU A 17 1.707 -11.546 -9.955 1.00 0.00 C ATOM 256 CD GLU A 17 1.050 -12.853 -9.556 1.00 0.00 C ATOM 257 OE1 GLU A 17 1.464 -13.909 -10.077 1.00 0.00 O ATOM 258 OE2 GLU A 17 0.120 -12.818 -8.722 1.00 0.00 O ATOM 0 H GLU A 17 3.891 -13.808 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 17 3.574 -12.383 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.305 -11.888 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.503 -10.454 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.185 -10.719 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.603 -11.405 -11.031 1.00 0.00 H new ATOM 265 N ALA A 18 6.266 -11.566 -9.765 1.00 0.00 N ATOM 266 CA ALA A 18 7.552 -10.886 -9.851 1.00 0.00 C ATOM 267 C ALA A 18 8.363 -11.393 -11.038 1.00 0.00 C ATOM 268 O ALA A 18 8.887 -10.606 -11.827 1.00 0.00 O ATOM 269 CB ALA A 18 8.333 -11.069 -8.558 1.00 0.00 C ATOM 0 H ALA A 18 6.111 -12.066 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 18 7.364 -9.823 -10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.292 -10.556 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.764 -10.651 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.503 -12.131 -8.383 1.00 0.00 H new ATOM 275 N HIS A 19 8.465 -12.713 -11.159 1.00 0.00 N ATOM 276 CA HIS A 19 9.213 -13.325 -12.251 1.00 0.00 C ATOM 277 C HIS A 19 8.620 -12.935 -13.602 1.00 0.00 C ATOM 278 O HIS A 19 9.347 -12.731 -14.573 1.00 0.00 O ATOM 279 CB HIS A 19 9.218 -14.847 -12.104 1.00 0.00 C ATOM 280 CG HIS A 19 10.273 -15.355 -11.171 1.00 0.00 C ATOM 281 ND1 HIS A 19 10.099 -16.463 -10.368 1.00 0.00 N ATOM 282 CD2 HIS A 19 11.523 -14.901 -10.917 1.00 0.00 C ATOM 283 CE1 HIS A 19 11.195 -16.667 -9.659 1.00 0.00 C ATOM 284 NE2 HIS A 19 12.075 -15.734 -9.974 1.00 0.00 N ATOM 0 H HIS A 19 8.039 -13.379 -10.514 1.00 0.00 H new ATOM 0 HA HIS A 19 10.239 -12.959 -12.205 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.241 -15.172 -11.746 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.365 -15.298 -13.085 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.998 -14.044 -11.371 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.346 -17.462 -8.943 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.012 -15.646 -9.581 1.00 0.00 H new ATOM 292 N GLU A 20 7.296 -12.835 -13.655 1.00 0.00 N ATOM 293 CA GLU A 20 6.606 -12.471 -14.887 1.00 0.00 C ATOM 294 C GLU A 20 6.898 -11.022 -15.266 1.00 0.00 C ATOM 295 O GLU A 20 7.079 -10.701 -16.441 1.00 0.00 O ATOM 296 CB GLU A 20 5.098 -12.676 -14.733 1.00 0.00 C ATOM 297 CG GLU A 20 4.541 -13.784 -15.611 1.00 0.00 C ATOM 298 CD GLU A 20 5.288 -15.093 -15.442 1.00 0.00 C ATOM 299 OE1 GLU A 20 5.052 -15.785 -14.431 1.00 0.00 O ATOM 300 OE2 GLU A 20 6.110 -15.424 -16.323 1.00 0.00 O ATOM 0 H GLU A 20 6.680 -13.001 -12.859 1.00 0.00 H new ATOM 0 HA GLU A 20 6.973 -13.118 -15.684 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.876 -12.904 -13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.587 -11.743 -14.972 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.488 -13.937 -15.372 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.589 -13.474 -16.655 1.00 0.00 H new ATOM 307 N ILE A 21 6.942 -10.151 -14.263 1.00 0.00 N ATOM 308 CA ILE A 21 7.212 -8.737 -14.491 1.00 0.00 C ATOM 309 C ILE A 21 8.638 -8.523 -14.987 1.00 0.00 C ATOM 310 O ILE A 21 8.870 -7.782 -15.942 1.00 0.00 O ATOM 311 CB ILE A 21 6.996 -7.910 -13.210 1.00 0.00 C ATOM 312 CG1 ILE A 21 5.554 -8.053 -12.721 1.00 0.00 C ATOM 313 CG2 ILE A 21 7.333 -6.447 -13.461 1.00 0.00 C ATOM 314 CD1 ILE A 21 5.426 -8.076 -11.214 1.00 0.00 C ATOM 0 H ILE A 21 6.794 -10.400 -13.285 1.00 0.00 H new ATOM 0 HA ILE A 21 6.510 -8.400 -15.254 1.00 0.00 H new ATOM 0 HB ILE A 21 7.662 -8.289 -12.435 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.962 -7.227 -13.115 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.131 -8.971 -13.127 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.175 -5.875 -12.546 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.375 -6.361 -13.768 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.690 -6.055 -14.249 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.376 -8.180 -10.940 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.990 -8.918 -10.814 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.819 -7.147 -10.801 1.00 0.00 H new ATOM 326 N VAL A 22 9.591 -9.178 -14.332 1.00 0.00 N ATOM 327 CA VAL A 22 10.995 -9.062 -14.708 1.00 0.00 C ATOM 328 C VAL A 22 11.262 -9.733 -16.050 1.00 0.00 C ATOM 329 O VAL A 22 12.096 -9.273 -16.831 1.00 0.00 O ATOM 330 CB VAL A 22 11.915 -9.688 -13.642 1.00 0.00 C ATOM 331 CG1 VAL A 22 11.775 -8.953 -12.318 1.00 0.00 C ATOM 332 CG2 VAL A 22 11.607 -11.168 -13.475 1.00 0.00 C ATOM 0 H VAL A 22 9.416 -9.795 -13.538 1.00 0.00 H new ATOM 0 HA VAL A 22 11.214 -7.997 -14.787 1.00 0.00 H new ATOM 0 HB VAL A 22 12.948 -9.591 -13.976 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.432 -9.409 -11.577 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.050 -7.907 -12.452 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.742 -9.016 -11.974 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.266 -11.594 -12.718 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.570 -11.291 -13.163 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.764 -11.682 -14.423 1.00 0.00 H new ATOM 342 N SER A 23 10.547 -10.822 -16.314 1.00 0.00 N ATOM 343 CA SER A 23 10.709 -11.559 -17.562 1.00 0.00 C ATOM 344 C SER A 23 10.180 -10.750 -18.742 1.00 0.00 C ATOM 345 O SER A 23 10.829 -10.652 -19.784 1.00 0.00 O ATOM 346 CB SER A 23 9.982 -12.903 -17.483 1.00 0.00 C ATOM 347 OG SER A 23 10.119 -13.629 -18.692 1.00 0.00 O ATOM 0 H SER A 23 9.850 -11.213 -15.680 1.00 0.00 H new ATOM 0 HA SER A 23 11.773 -11.738 -17.715 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.383 -13.489 -16.656 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.925 -12.737 -17.273 1.00 0.00 H new ATOM 0 HG SER A 23 9.647 -14.484 -18.615 1.00 0.00 H new ATOM 353 N LYS A 24 8.995 -10.173 -18.572 1.00 0.00 N ATOM 354 CA LYS A 24 8.377 -9.371 -19.621 1.00 0.00 C ATOM 355 C LYS A 24 9.164 -8.086 -19.860 1.00 0.00 C ATOM 356 O LYS A 24 9.431 -7.714 -21.002 1.00 0.00 O ATOM 357 CB LYS A 24 6.931 -9.034 -19.249 1.00 0.00 C ATOM 358 CG LYS A 24 5.971 -10.198 -19.424 1.00 0.00 C ATOM 359 CD LYS A 24 4.808 -9.831 -20.330 1.00 0.00 C ATOM 360 CE LYS A 24 3.528 -10.536 -19.908 1.00 0.00 C ATOM 361 NZ LYS A 24 2.643 -10.822 -21.071 1.00 0.00 N ATOM 0 H LYS A 24 8.443 -10.246 -17.717 1.00 0.00 H new ATOM 0 HA LYS A 24 8.383 -9.956 -20.541 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.900 -8.701 -18.212 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.592 -8.199 -19.862 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.505 -11.051 -19.843 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.591 -10.507 -18.450 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.655 -8.752 -20.308 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.049 -10.097 -21.359 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.777 -11.469 -19.403 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.993 -9.917 -19.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.782 -11.303 -20.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.384 -9.930 -21.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.144 -11.434 -21.746 1.00 0.00 H new ATOM 375 N ALA A 25 9.533 -7.414 -18.774 1.00 0.00 N ATOM 376 CA ALA A 25 10.293 -6.173 -18.866 1.00 0.00 C ATOM 377 C ALA A 25 11.591 -6.380 -19.639 1.00 0.00 C ATOM 378 O ALA A 25 11.947 -5.575 -20.499 1.00 0.00 O ATOM 379 CB ALA A 25 10.585 -5.629 -17.475 1.00 0.00 C ATOM 0 H ALA A 25 9.318 -7.708 -17.821 1.00 0.00 H new ATOM 0 HA ALA A 25 9.690 -5.446 -19.409 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.153 -4.702 -17.559 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.646 -5.434 -16.956 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.165 -6.361 -16.913 1.00 0.00 H new ATOM 385 N ARG A 26 12.294 -7.463 -19.326 1.00 0.00 N ATOM 386 CA ARG A 26 13.554 -7.774 -19.990 1.00 0.00 C ATOM 387 C ARG A 26 13.322 -8.141 -21.453 1.00 0.00 C ATOM 388 O ARG A 26 14.020 -7.657 -22.344 1.00 0.00 O ATOM 389 CB ARG A 26 14.264 -8.923 -19.271 1.00 0.00 C ATOM 390 CG ARG A 26 15.479 -8.483 -18.472 1.00 0.00 C ATOM 391 CD ARG A 26 15.113 -8.170 -17.029 1.00 0.00 C ATOM 392 NE ARG A 26 16.142 -7.375 -16.363 1.00 0.00 N ATOM 393 CZ ARG A 26 16.158 -7.141 -15.056 1.00 0.00 C ATOM 394 NH1 ARG A 26 15.206 -7.637 -14.278 1.00 0.00 N ATOM 395 NH2 ARG A 26 17.127 -6.408 -14.524 1.00 0.00 N ATOM 0 H ARG A 26 12.013 -8.140 -18.617 1.00 0.00 H new ATOM 0 HA ARG A 26 14.185 -6.886 -19.952 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.557 -9.413 -18.601 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.573 -9.665 -20.007 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.235 -9.268 -18.495 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.921 -7.601 -18.936 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.166 -7.631 -17.004 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.964 -9.101 -16.483 1.00 0.00 H new ATOM 0 HE ARG A 26 16.889 -6.978 -16.933 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.458 -8.200 -14.683 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.221 -7.455 -13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.861 -6.023 -15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.138 -6.229 -13.520 1.00 0.00 H new ATOM 409 N LYS A 27 12.337 -9.000 -21.692 1.00 0.00 N ATOM 410 CA LYS A 27 12.010 -9.432 -23.046 1.00 0.00 C ATOM 411 C LYS A 27 11.720 -8.234 -23.945 1.00 0.00 C ATOM 412 O LYS A 27 12.270 -8.120 -25.040 1.00 0.00 O ATOM 413 CB LYS A 27 10.804 -10.373 -23.026 1.00 0.00 C ATOM 414 CG LYS A 27 10.266 -10.702 -24.408 1.00 0.00 C ATOM 415 CD LYS A 27 11.319 -11.376 -25.271 1.00 0.00 C ATOM 416 CE LYS A 27 11.542 -10.619 -26.571 1.00 0.00 C ATOM 417 NZ LYS A 27 12.978 -10.609 -26.967 1.00 0.00 N ATOM 0 H LYS A 27 11.751 -9.411 -20.965 1.00 0.00 H new ATOM 0 HA LYS A 27 12.872 -9.965 -23.448 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.085 -11.299 -22.525 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.009 -9.919 -22.435 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.398 -11.355 -24.315 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.927 -9.787 -24.894 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.257 -11.439 -24.720 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.010 -12.398 -25.492 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.950 -11.076 -27.364 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.189 -9.594 -26.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.071 -10.220 -27.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.518 -10.020 -26.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.350 -11.580 -26.950 1.00 0.00 H new ATOM 431 N TYR A 28 10.854 -7.344 -23.474 1.00 0.00 N ATOM 432 CA TYR A 28 10.490 -6.155 -24.235 1.00 0.00 C ATOM 433 C TYR A 28 11.679 -5.208 -24.368 1.00 0.00 C ATOM 434 O TYR A 28 11.912 -4.632 -25.431 1.00 0.00 O ATOM 435 CB TYR A 28 9.321 -5.432 -23.565 1.00 0.00 C ATOM 436 CG TYR A 28 8.037 -5.487 -24.363 1.00 0.00 C ATOM 437 CD1 TYR A 28 7.164 -6.560 -24.238 1.00 0.00 C ATOM 438 CD2 TYR A 28 7.699 -4.465 -25.242 1.00 0.00 C ATOM 439 CE1 TYR A 28 5.991 -6.614 -24.966 1.00 0.00 C ATOM 440 CE2 TYR A 28 6.527 -4.510 -25.972 1.00 0.00 C ATOM 441 CZ TYR A 28 5.677 -5.587 -25.831 1.00 0.00 C ATOM 442 OH TYR A 28 4.509 -5.636 -26.558 1.00 0.00 O ATOM 0 H TYR A 28 10.391 -7.423 -22.569 1.00 0.00 H new ATOM 0 HA TYR A 28 10.188 -6.473 -25.233 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.148 -5.872 -22.583 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.594 -4.389 -23.404 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.406 -7.365 -23.561 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.364 -3.621 -25.356 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.323 -7.456 -24.858 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.278 -3.706 -26.649 1.00 0.00 H new ATOM 0 HH TYR A 28 4.438 -4.835 -27.118 1.00 0.00 H new ATOM 452 N ARG A 29 12.428 -5.053 -23.281 1.00 0.00 N ATOM 453 CA ARG A 29 13.593 -4.177 -23.274 1.00 0.00 C ATOM 454 C ARG A 29 14.631 -4.644 -24.290 1.00 0.00 C ATOM 455 O ARG A 29 15.205 -3.837 -25.020 1.00 0.00 O ATOM 456 CB ARG A 29 14.215 -4.130 -21.878 1.00 0.00 C ATOM 457 CG ARG A 29 13.608 -3.068 -20.976 1.00 0.00 C ATOM 458 CD ARG A 29 14.257 -1.711 -21.198 1.00 0.00 C ATOM 459 NE ARG A 29 13.326 -0.746 -21.776 1.00 0.00 N ATOM 460 CZ ARG A 29 12.401 -0.104 -21.070 1.00 0.00 C ATOM 461 NH1 ARG A 29 12.285 -0.324 -19.768 1.00 0.00 N ATOM 462 NH2 ARG A 29 11.590 0.759 -21.668 1.00 0.00 N ATOM 0 H ARG A 29 12.249 -5.523 -22.394 1.00 0.00 H new ATOM 0 HA ARG A 29 13.264 -3.175 -23.551 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.100 -5.105 -21.405 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.285 -3.946 -21.972 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.537 -2.996 -21.167 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.727 -3.363 -19.934 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.632 -1.329 -20.248 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.117 -1.824 -21.858 1.00 0.00 H new ATOM 0 HE ARG A 29 13.389 -0.554 -22.776 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.907 -0.987 -19.306 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.574 0.170 -19.229 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.676 0.930 -22.670 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.880 1.252 -21.126 1.00 0.00 H new ATOM 476 N GLN A 30 14.866 -5.952 -24.329 1.00 0.00 N ATOM 477 CA GLN A 30 15.836 -6.526 -25.254 1.00 0.00 C ATOM 478 C GLN A 30 15.335 -6.438 -26.692 1.00 0.00 C ATOM 479 O GLN A 30 16.086 -6.085 -27.601 1.00 0.00 O ATOM 480 CB GLN A 30 16.120 -7.984 -24.888 1.00 0.00 C ATOM 481 CG GLN A 30 17.597 -8.343 -24.923 1.00 0.00 C ATOM 482 CD GLN A 30 18.335 -7.897 -23.676 1.00 0.00 C ATOM 483 OE1 GLN A 30 17.721 -7.493 -22.688 1.00 0.00 O ATOM 484 NE2 GLN A 30 19.661 -7.968 -23.715 1.00 0.00 N ATOM 0 H GLN A 30 14.398 -6.633 -23.731 1.00 0.00 H new ATOM 0 HA GLN A 30 16.760 -5.953 -25.175 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.730 -8.182 -23.890 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.580 -8.635 -25.576 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.702 -9.422 -25.037 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.058 -7.884 -25.797 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.129 -8.309 -24.555 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.211 -7.681 -22.905 1.00 0.00 H new ATOM 493 N ASP A 31 14.062 -6.763 -26.890 1.00 0.00 N ATOM 494 CA ASP A 31 13.460 -6.720 -28.218 1.00 0.00 C ATOM 495 C ASP A 31 13.439 -5.294 -28.759 1.00 0.00 C ATOM 496 O ASP A 31 13.706 -5.062 -29.938 1.00 0.00 O ATOM 497 CB ASP A 31 12.039 -7.284 -28.175 1.00 0.00 C ATOM 498 CG ASP A 31 11.382 -7.302 -29.541 1.00 0.00 C ATOM 499 OD1 ASP A 31 11.942 -7.935 -30.460 1.00 0.00 O ATOM 500 OD2 ASP A 31 10.308 -6.682 -29.691 1.00 0.00 O ATOM 0 H ASP A 31 13.427 -7.059 -26.148 1.00 0.00 H new ATOM 0 HA ASP A 31 14.066 -7.333 -28.885 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.065 -8.297 -27.774 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.435 -6.687 -27.492 1.00 0.00 H new ATOM 505 N LYS A 32 13.118 -4.342 -27.890 1.00 0.00 N ATOM 506 CA LYS A 32 13.061 -2.938 -28.279 1.00 0.00 C ATOM 507 C LYS A 32 14.457 -2.396 -28.567 1.00 0.00 C ATOM 508 O LYS A 32 14.681 -1.734 -29.581 1.00 0.00 O ATOM 509 CB LYS A 32 12.397 -2.108 -27.178 1.00 0.00 C ATOM 510 CG LYS A 32 11.956 -0.729 -27.637 1.00 0.00 C ATOM 511 CD LYS A 32 12.037 0.286 -26.510 1.00 0.00 C ATOM 512 CE LYS A 32 13.479 0.591 -26.137 1.00 0.00 C ATOM 513 NZ LYS A 32 13.725 2.055 -26.021 1.00 0.00 N ATOM 0 H LYS A 32 12.893 -4.517 -26.911 1.00 0.00 H new ATOM 0 HA LYS A 32 12.466 -2.864 -29.190 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.530 -2.650 -26.799 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.094 -1.999 -26.347 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.583 -0.403 -28.467 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.933 -0.779 -28.010 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.536 1.206 -26.811 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.507 -0.095 -25.637 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.719 0.106 -25.191 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.146 0.169 -26.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.719 2.221 -25.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.520 2.515 -26.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.107 2.454 -25.285 1.00 0.00 H new ATOM 527 N LEU A 33 15.394 -2.682 -27.669 1.00 0.00 N ATOM 528 CA LEU A 33 16.770 -2.224 -27.827 1.00 0.00 C ATOM 529 C LEU A 33 17.422 -2.870 -29.045 1.00 0.00 C ATOM 530 O LEU A 33 18.176 -2.225 -29.775 1.00 0.00 O ATOM 531 CB LEU A 33 17.582 -2.544 -26.571 1.00 0.00 C ATOM 532 CG LEU A 33 17.271 -1.696 -25.337 1.00 0.00 C ATOM 533 CD1 LEU A 33 17.829 -2.352 -24.083 1.00 0.00 C ATOM 534 CD2 LEU A 33 17.833 -0.291 -25.500 1.00 0.00 C ATOM 0 H LEU A 33 15.226 -3.229 -26.824 1.00 0.00 H new ATOM 0 HA LEU A 33 16.753 -1.144 -27.976 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.423 -3.592 -26.317 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.640 -2.431 -26.808 1.00 0.00 H new ATOM 0 HG LEU A 33 16.188 -1.624 -25.234 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.598 -1.734 -23.215 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.380 -3.337 -23.957 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.910 -2.456 -24.177 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.602 0.298 -24.613 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.914 -0.344 -25.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.386 0.181 -26.375 1.00 0.00 H new ATOM 546 N LYS A 34 17.126 -4.147 -29.261 1.00 0.00 N ATOM 547 CA LYS A 34 17.680 -4.880 -30.393 1.00 0.00 C ATOM 548 C LYS A 34 17.136 -4.339 -31.711 1.00 0.00 C ATOM 549 O LYS A 34 17.896 -4.064 -32.640 1.00 0.00 O ATOM 550 CB LYS A 34 17.356 -6.371 -30.269 1.00 0.00 C ATOM 551 CG LYS A 34 17.980 -7.222 -31.362 1.00 0.00 C ATOM 552 CD LYS A 34 17.812 -8.705 -31.078 1.00 0.00 C ATOM 553 CE LYS A 34 18.127 -9.547 -32.305 1.00 0.00 C ATOM 554 NZ LYS A 34 19.223 -10.520 -32.044 1.00 0.00 N ATOM 0 H LYS A 34 16.505 -4.696 -28.667 1.00 0.00 H new ATOM 0 HA LYS A 34 18.762 -4.747 -30.385 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.701 -6.730 -29.299 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.274 -6.502 -30.291 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.520 -6.980 -32.320 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.040 -6.985 -31.448 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.468 -8.996 -30.258 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.790 -8.901 -30.754 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.231 -10.084 -32.616 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.410 -8.894 -33.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.407 -11.074 -32.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.085 -10.007 -31.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.943 -11.160 -31.273 1.00 0.00 H new ATOM 568 N GLN A 35 15.818 -4.187 -31.784 1.00 0.00 N ATOM 569 CA GLN A 35 15.173 -3.678 -32.989 1.00 0.00 C ATOM 570 C GLN A 35 15.588 -2.235 -33.259 1.00 0.00 C ATOM 571 O GLN A 35 15.896 -1.869 -34.393 1.00 0.00 O ATOM 572 CB GLN A 35 13.652 -3.768 -32.856 1.00 0.00 C ATOM 573 CG GLN A 35 12.909 -3.439 -34.141 1.00 0.00 C ATOM 574 CD GLN A 35 12.493 -4.678 -34.908 1.00 0.00 C ATOM 575 OE1 GLN A 35 13.153 -5.715 -34.841 1.00 0.00 O ATOM 576 NE2 GLN A 35 11.391 -4.577 -35.644 1.00 0.00 N ATOM 0 H GLN A 35 15.176 -4.409 -31.023 1.00 0.00 H new ATOM 0 HA GLN A 35 15.493 -4.293 -33.830 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.382 -4.775 -32.538 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.323 -3.087 -32.071 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.024 -2.849 -33.903 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.544 -2.820 -34.775 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.874 -3.698 -35.671 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.062 -5.379 -36.182 1.00 0.00 H new ATOM 585 N ALA A 36 15.592 -1.419 -32.210 1.00 0.00 N ATOM 586 CA ALA A 36 15.969 -0.017 -32.334 1.00 0.00 C ATOM 587 C ALA A 36 17.432 0.124 -32.743 1.00 0.00 C ATOM 588 O ALA A 36 17.776 0.960 -33.578 1.00 0.00 O ATOM 589 CB ALA A 36 15.713 0.716 -31.025 1.00 0.00 C ATOM 0 H ALA A 36 15.338 -1.705 -31.264 1.00 0.00 H new ATOM 0 HA ALA A 36 15.355 0.431 -33.115 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.999 1.762 -31.132 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.654 0.653 -30.774 1.00 0.00 H new ATOM 0 HB3 ALA A 36 16.302 0.258 -30.230 1.00 0.00 H new ATOM 595 N LYS A 37 18.289 -0.700 -32.149 1.00 0.00 N ATOM 596 CA LYS A 37 19.715 -0.668 -32.452 1.00 0.00 C ATOM 597 C LYS A 37 19.954 -0.758 -33.956 1.00 0.00 C ATOM 598 O LYS A 37 20.725 0.019 -34.520 1.00 0.00 O ATOM 599 CB LYS A 37 20.434 -1.818 -31.741 1.00 0.00 C ATOM 600 CG LYS A 37 21.928 -1.857 -32.007 1.00 0.00 C ATOM 601 CD LYS A 37 22.528 -3.198 -31.619 1.00 0.00 C ATOM 602 CE LYS A 37 23.932 -3.365 -32.181 1.00 0.00 C ATOM 603 NZ LYS A 37 24.298 -4.799 -32.345 1.00 0.00 N ATOM 0 H LYS A 37 18.021 -1.398 -31.455 1.00 0.00 H new ATOM 0 HA LYS A 37 20.116 0.280 -32.094 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.267 -1.732 -30.667 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.992 -2.763 -32.058 1.00 0.00 H new ATOM 0 HG2 LYS A 37 22.116 -1.665 -33.063 1.00 0.00 H new ATOM 0 HG3 LYS A 37 22.419 -1.062 -31.447 1.00 0.00 H new ATOM 0 HD2 LYS A 37 22.557 -3.284 -30.533 1.00 0.00 H new ATOM 0 HD3 LYS A 37 21.890 -4.003 -31.985 1.00 0.00 H new ATOM 0 HE2 LYS A 37 23.999 -2.861 -33.145 1.00 0.00 H new ATOM 0 HE3 LYS A 37 24.649 -2.881 -31.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 25.261 -4.870 -32.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 24.259 -5.275 -31.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 23.630 -5.255 -32.998 1.00 0.00 H new ATOM 617 N THR A 38 19.287 -1.710 -34.601 1.00 0.00 N ATOM 618 CA THR A 38 19.427 -1.901 -36.039 1.00 0.00 C ATOM 619 C THR A 38 19.012 -0.648 -36.803 1.00 0.00 C ATOM 620 O THR A 38 19.693 -0.226 -37.738 1.00 0.00 O ATOM 621 CB THR A 38 18.584 -3.092 -36.532 1.00 0.00 C ATOM 622 OG1 THR A 38 17.904 -3.702 -35.429 1.00 0.00 O ATOM 623 CG2 THR A 38 19.459 -4.123 -37.228 1.00 0.00 C ATOM 0 H THR A 38 18.644 -2.361 -34.150 1.00 0.00 H new ATOM 0 HA THR A 38 20.480 -2.107 -36.230 1.00 0.00 H new ATOM 0 HB THR A 38 17.851 -2.718 -37.247 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.186 -3.111 -35.120 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.842 -4.955 -37.567 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.951 -3.663 -38.085 1.00 0.00 H new ATOM 0 HG23 THR A 38 20.212 -4.491 -36.531 1.00 0.00 H new ATOM 631 N ASP A 39 17.893 -0.058 -36.398 1.00 0.00 N ATOM 632 CA ASP A 39 17.389 1.149 -37.043 1.00 0.00 C ATOM 633 C ASP A 39 18.418 2.272 -36.975 1.00 0.00 C ATOM 634 O ASP A 39 18.661 2.965 -37.963 1.00 0.00 O ATOM 635 CB ASP A 39 16.082 1.596 -36.386 1.00 0.00 C ATOM 636 CG ASP A 39 15.142 2.270 -37.366 1.00 0.00 C ATOM 637 OD1 ASP A 39 14.465 1.550 -38.128 1.00 0.00 O ATOM 638 OD2 ASP A 39 15.085 3.518 -37.371 1.00 0.00 O ATOM 0 H ASP A 39 17.318 -0.396 -35.626 1.00 0.00 H new ATOM 0 HA ASP A 39 17.199 0.919 -38.091 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.585 0.731 -35.947 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.305 2.283 -35.570 1.00 0.00 H new ATOM 643 N ALA A 40 19.019 2.447 -35.803 1.00 0.00 N ATOM 644 CA ALA A 40 20.023 3.486 -35.606 1.00 0.00 C ATOM 645 C ALA A 40 21.247 3.239 -36.481 1.00 0.00 C ATOM 646 O ALA A 40 21.744 4.152 -37.140 1.00 0.00 O ATOM 647 CB ALA A 40 20.426 3.560 -34.141 1.00 0.00 C ATOM 0 H ALA A 40 18.828 1.883 -34.975 1.00 0.00 H new ATOM 0 HA ALA A 40 19.585 4.440 -35.899 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.176 4.340 -34.009 1.00 0.00 H new ATOM 0 HB2 ALA A 40 19.551 3.792 -33.534 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.840 2.601 -33.829 1.00 0.00 H new ATOM 653 N ALA A 41 21.728 2.000 -36.483 1.00 0.00 N ATOM 654 CA ALA A 41 22.893 1.634 -37.278 1.00 0.00 C ATOM 655 C ALA A 41 22.668 1.942 -38.755 1.00 0.00 C ATOM 656 O ALA A 41 23.533 2.514 -39.419 1.00 0.00 O ATOM 657 CB ALA A 41 23.219 0.160 -37.089 1.00 0.00 C ATOM 0 H ALA A 41 21.328 1.233 -35.943 1.00 0.00 H new ATOM 0 HA ALA A 41 23.739 2.229 -36.934 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.091 -0.099 -37.689 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.431 -0.034 -36.037 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.369 -0.444 -37.405 1.00 0.00 H new ATOM 663 N LYS A 42 21.502 1.559 -39.264 1.00 0.00 N ATOM 664 CA LYS A 42 21.163 1.794 -40.662 1.00 0.00 C ATOM 665 C LYS A 42 20.994 3.285 -40.937 1.00 0.00 C ATOM 666 O LYS A 42 21.350 3.771 -42.010 1.00 0.00 O ATOM 667 CB LYS A 42 19.878 1.048 -41.029 1.00 0.00 C ATOM 668 CG LYS A 42 19.995 0.224 -42.299 1.00 0.00 C ATOM 669 CD LYS A 42 19.395 -1.161 -42.123 1.00 0.00 C ATOM 670 CE LYS A 42 17.875 -1.117 -42.146 1.00 0.00 C ATOM 671 NZ LYS A 42 17.285 -2.458 -42.414 1.00 0.00 N ATOM 0 H LYS A 42 20.775 1.084 -38.728 1.00 0.00 H new ATOM 0 HA LYS A 42 21.981 1.419 -41.277 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.601 0.392 -40.204 1.00 0.00 H new ATOM 0 HB3 LYS A 42 19.070 1.770 -41.147 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.490 0.739 -43.116 1.00 0.00 H new ATOM 0 HG3 LYS A 42 21.044 0.134 -42.580 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.753 -1.817 -42.916 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.733 -1.588 -41.179 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.508 -0.743 -41.190 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.544 -0.415 -42.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.248 -2.386 -42.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.615 -2.804 -43.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.580 -3.122 -41.670 1.00 0.00 H new ATOM 685 N GLU A 43 20.450 4.005 -39.961 1.00 0.00 N ATOM 686 CA GLU A 43 20.236 5.440 -40.099 1.00 0.00 C ATOM 687 C GLU A 43 21.562 6.174 -40.279 1.00 0.00 C ATOM 688 O GLU A 43 21.695 7.033 -41.152 1.00 0.00 O ATOM 689 CB GLU A 43 19.499 5.989 -38.876 1.00 0.00 C ATOM 690 CG GLU A 43 18.900 7.368 -39.093 1.00 0.00 C ATOM 691 CD GLU A 43 17.391 7.380 -38.941 1.00 0.00 C ATOM 692 OE1 GLU A 43 16.702 6.802 -39.808 1.00 0.00 O ATOM 693 OE2 GLU A 43 16.899 7.967 -37.955 1.00 0.00 O ATOM 0 H GLU A 43 20.150 3.618 -39.066 1.00 0.00 H new ATOM 0 HA GLU A 43 19.625 5.606 -40.987 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.704 5.296 -38.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.191 6.031 -38.035 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.339 8.067 -38.380 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.164 7.722 -40.090 1.00 0.00 H new ATOM 700 N ILE A 44 22.539 5.829 -39.448 1.00 0.00 N ATOM 701 CA ILE A 44 23.854 6.454 -39.515 1.00 0.00 C ATOM 702 C ILE A 44 24.601 6.030 -40.775 1.00 0.00 C ATOM 703 O ILE A 44 25.196 6.858 -41.465 1.00 0.00 O ATOM 704 CB ILE A 44 24.708 6.102 -38.282 1.00 0.00 C ATOM 705 CG1 ILE A 44 24.003 6.550 -37.001 1.00 0.00 C ATOM 706 CG2 ILE A 44 26.083 6.745 -38.390 1.00 0.00 C ATOM 707 CD1 ILE A 44 23.653 8.022 -36.987 1.00 0.00 C ATOM 0 H ILE A 44 22.445 5.120 -38.721 1.00 0.00 H new ATOM 0 HA ILE A 44 23.690 7.531 -39.538 1.00 0.00 H new ATOM 0 HB ILE A 44 24.836 5.020 -38.243 1.00 0.00 H new ATOM 0 HG12 ILE A 44 23.091 5.967 -36.875 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.643 6.329 -36.147 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.675 6.487 -37.512 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.586 6.381 -39.286 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.975 7.828 -38.450 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.156 8.269 -36.049 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.564 8.613 -37.081 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.987 8.246 -37.820 1.00 0.00 H new ATOM 719 N ASP A 45 24.563 4.735 -41.070 1.00 0.00 N ATOM 720 CA ASP A 45 25.234 4.200 -42.249 1.00 0.00 C ATOM 721 C ASP A 45 24.651 4.800 -43.525 1.00 0.00 C ATOM 722 O ASP A 45 25.386 5.226 -44.415 1.00 0.00 O ATOM 723 CB ASP A 45 25.111 2.676 -42.285 1.00 0.00 C ATOM 724 CG ASP A 45 26.165 1.990 -41.438 1.00 0.00 C ATOM 725 OD1 ASP A 45 25.946 1.849 -40.217 1.00 0.00 O ATOM 726 OD2 ASP A 45 27.209 1.593 -41.998 1.00 0.00 O ATOM 0 H ASP A 45 24.075 4.037 -40.509 1.00 0.00 H new ATOM 0 HA ASP A 45 26.288 4.470 -42.190 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.121 2.386 -41.933 1.00 0.00 H new ATOM 0 HB3 ASP A 45 25.197 2.332 -43.316 1.00 0.00 H new ATOM 731 N SER A 46 23.324 4.828 -43.607 1.00 0.00 N ATOM 732 CA SER A 46 22.642 5.371 -44.776 1.00 0.00 C ATOM 733 C SER A 46 22.905 6.868 -44.912 1.00 0.00 C ATOM 734 O SER A 46 23.207 7.360 -45.999 1.00 0.00 O ATOM 735 CB SER A 46 21.137 5.112 -44.680 1.00 0.00 C ATOM 736 OG SER A 46 20.486 5.437 -45.896 1.00 0.00 O ATOM 0 H SER A 46 22.700 4.481 -42.878 1.00 0.00 H new ATOM 0 HA SER A 46 23.034 4.870 -45.661 1.00 0.00 H new ATOM 0 HB2 SER A 46 20.960 4.064 -44.437 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.714 5.703 -43.868 1.00 0.00 H new ATOM 0 HG SER A 46 19.526 5.261 -45.810 1.00 0.00 H new ATOM 742 N TYR A 47 22.787 7.585 -43.800 1.00 0.00 N ATOM 743 CA TYR A 47 23.008 9.027 -43.794 1.00 0.00 C ATOM 744 C TYR A 47 24.451 9.357 -44.165 1.00 0.00 C ATOM 745 O TYR A 47 24.719 10.354 -44.836 1.00 0.00 O ATOM 746 CB TYR A 47 22.677 9.609 -42.419 1.00 0.00 C ATOM 747 CG TYR A 47 21.214 9.946 -42.241 1.00 0.00 C ATOM 748 CD1 TYR A 47 20.223 9.051 -42.625 1.00 0.00 C ATOM 749 CD2 TYR A 47 20.823 11.158 -41.686 1.00 0.00 C ATOM 750 CE1 TYR A 47 18.885 9.355 -42.464 1.00 0.00 C ATOM 751 CE2 TYR A 47 19.488 11.470 -41.521 1.00 0.00 C ATOM 752 CZ TYR A 47 18.522 10.566 -41.912 1.00 0.00 C ATOM 753 OH TYR A 47 17.191 10.872 -41.749 1.00 0.00 O ATOM 0 H TYR A 47 22.540 7.192 -42.892 1.00 0.00 H new ATOM 0 HA TYR A 47 22.349 9.474 -44.538 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.973 8.895 -41.651 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.270 10.510 -42.262 1.00 0.00 H new ATOM 0 HD1 TYR A 47 20.503 8.102 -43.057 1.00 0.00 H new ATOM 0 HD2 TYR A 47 21.576 11.868 -41.378 1.00 0.00 H new ATOM 0 HE1 TYR A 47 18.127 8.648 -42.769 1.00 0.00 H new ATOM 0 HE2 TYR A 47 19.202 12.417 -41.088 1.00 0.00 H new ATOM 0 HH TYR A 47 17.107 11.761 -41.346 1.00 0.00 H new ATOM 763 N LYS A 48 25.377 8.513 -43.724 1.00 0.00 N ATOM 764 CA LYS A 48 26.793 8.712 -44.010 1.00 0.00 C ATOM 765 C LYS A 48 27.089 8.471 -45.487 1.00 0.00 C ATOM 766 O LYS A 48 27.815 9.241 -46.117 1.00 0.00 O ATOM 767 CB LYS A 48 27.644 7.776 -43.149 1.00 0.00 C ATOM 768 CG LYS A 48 29.138 7.934 -43.372 1.00 0.00 C ATOM 769 CD LYS A 48 29.798 6.603 -43.692 1.00 0.00 C ATOM 770 CE LYS A 48 30.197 5.861 -42.425 1.00 0.00 C ATOM 771 NZ LYS A 48 31.111 4.721 -42.715 1.00 0.00 N ATOM 0 H LYS A 48 25.172 7.684 -43.167 1.00 0.00 H new ATOM 0 HA LYS A 48 27.045 9.745 -43.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.421 7.960 -42.098 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.361 6.745 -43.360 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.313 8.634 -44.189 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.596 8.364 -42.481 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.114 5.987 -44.276 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.680 6.772 -44.309 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.685 6.552 -41.738 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.303 5.491 -41.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.360 4.241 -41.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.636 4.049 -43.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.976 5.077 -43.170 1.00 0.00 H new ATOM 785 N ILE A 49 26.523 7.400 -46.032 1.00 0.00 N ATOM 786 CA ILE A 49 26.725 7.060 -47.435 1.00 0.00 C ATOM 787 C ILE A 49 26.011 8.051 -48.349 1.00 0.00 C ATOM 788 O ILE A 49 26.542 8.446 -49.386 1.00 0.00 O ATOM 789 CB ILE A 49 26.224 5.638 -47.748 1.00 0.00 C ATOM 790 CG1 ILE A 49 26.962 4.613 -46.884 1.00 0.00 C ATOM 791 CG2 ILE A 49 26.409 5.324 -49.225 1.00 0.00 C ATOM 792 CD1 ILE A 49 26.206 3.314 -46.710 1.00 0.00 C ATOM 0 H ILE A 49 25.921 6.753 -45.523 1.00 0.00 H new ATOM 0 HA ILE A 49 27.798 7.107 -47.619 1.00 0.00 H new ATOM 0 HB ILE A 49 25.160 5.584 -47.516 1.00 0.00 H new ATOM 0 HG12 ILE A 49 27.932 4.402 -47.334 1.00 0.00 H new ATOM 0 HG13 ILE A 49 27.153 5.047 -45.903 1.00 0.00 H new ATOM 0 HG21 ILE A 49 26.050 4.315 -49.430 1.00 0.00 H new ATOM 0 HG22 ILE A 49 25.844 6.039 -49.823 1.00 0.00 H new ATOM 0 HG23 ILE A 49 27.466 5.392 -49.482 1.00 0.00 H new ATOM 0 HD11 ILE A 49 26.788 2.635 -46.087 1.00 0.00 H new ATOM 0 HD12 ILE A 49 25.247 3.513 -46.232 1.00 0.00 H new ATOM 0 HD13 ILE A 49 26.038 2.857 -47.685 1.00 0.00 H new ATOM 804 N GLN A 50 24.806 8.448 -47.954 1.00 0.00 N ATOM 805 CA GLN A 50 24.019 9.394 -48.737 1.00 0.00 C ATOM 806 C GLN A 50 24.651 10.782 -48.708 1.00 0.00 C ATOM 807 O GLN A 50 24.742 11.456 -49.735 1.00 0.00 O ATOM 808 CB GLN A 50 22.587 9.462 -48.206 1.00 0.00 C ATOM 809 CG GLN A 50 21.560 9.819 -49.269 1.00 0.00 C ATOM 810 CD GLN A 50 21.309 11.311 -49.360 1.00 0.00 C ATOM 811 OE1 GLN A 50 21.355 12.023 -48.356 1.00 0.00 O ATOM 812 NE2 GLN A 50 21.042 11.794 -50.568 1.00 0.00 N ATOM 0 H GLN A 50 24.353 8.130 -47.097 1.00 0.00 H new ATOM 0 HA GLN A 50 23.999 9.044 -49.769 1.00 0.00 H new ATOM 0 HB2 GLN A 50 22.325 8.499 -47.768 1.00 0.00 H new ATOM 0 HB3 GLN A 50 22.540 10.200 -47.405 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.902 9.452 -50.237 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.622 9.309 -49.048 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.014 11.168 -51.373 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.865 12.791 -50.691 1.00 0.00 H new ATOM 821 N LYS A 51 25.086 11.204 -47.526 1.00 0.00 N ATOM 822 CA LYS A 51 25.710 12.512 -47.362 1.00 0.00 C ATOM 823 C LYS A 51 27.048 12.571 -48.092 1.00 0.00 C ATOM 824 O LYS A 51 27.338 13.537 -48.798 1.00 0.00 O ATOM 825 CB LYS A 51 25.912 12.821 -45.877 1.00 0.00 C ATOM 826 CG LYS A 51 26.343 14.252 -45.606 1.00 0.00 C ATOM 827 CD LYS A 51 27.633 14.304 -44.805 1.00 0.00 C ATOM 828 CE LYS A 51 27.358 14.346 -43.309 1.00 0.00 C ATOM 829 NZ LYS A 51 27.779 13.088 -42.632 1.00 0.00 N ATOM 0 H LYS A 51 25.018 10.659 -46.667 1.00 0.00 H new ATOM 0 HA LYS A 51 25.047 13.261 -47.795 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.982 12.623 -45.344 1.00 0.00 H new ATOM 0 HB3 LYS A 51 26.662 12.142 -45.472 1.00 0.00 H new ATOM 0 HG2 LYS A 51 26.479 14.777 -46.551 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.555 14.773 -45.063 1.00 0.00 H new ATOM 0 HD2 LYS A 51 28.244 13.432 -45.040 1.00 0.00 H new ATOM 0 HD3 LYS A 51 28.208 15.183 -45.095 1.00 0.00 H new ATOM 0 HE2 LYS A 51 27.886 15.191 -42.866 1.00 0.00 H new ATOM 0 HE3 LYS A 51 26.294 14.511 -43.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.575 13.156 -41.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.257 12.285 -43.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.799 12.943 -42.772 1.00 0.00 H new ATOM 843 N ASP A 52 27.859 11.534 -47.916 1.00 0.00 N ATOM 844 CA ASP A 52 29.165 11.467 -48.560 1.00 0.00 C ATOM 845 C ASP A 52 29.021 11.417 -50.078 1.00 0.00 C ATOM 846 O ASP A 52 29.754 12.089 -50.805 1.00 0.00 O ATOM 847 CB ASP A 52 29.938 10.242 -48.069 1.00 0.00 C ATOM 848 CG ASP A 52 31.347 10.184 -48.626 1.00 0.00 C ATOM 849 OD1 ASP A 52 31.820 11.215 -49.149 1.00 0.00 O ATOM 850 OD2 ASP A 52 31.976 9.109 -48.539 1.00 0.00 O ATOM 0 H ASP A 52 27.635 10.728 -47.332 1.00 0.00 H new ATOM 0 HA ASP A 52 29.719 12.367 -48.295 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.981 10.256 -46.980 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.400 9.338 -48.355 1.00 0.00 H new ATOM 855 N LYS A 53 28.072 10.617 -50.551 1.00 0.00 N ATOM 856 CA LYS A 53 27.831 10.478 -51.983 1.00 0.00 C ATOM 857 C LYS A 53 27.311 11.784 -52.575 1.00 0.00 C ATOM 858 O LYS A 53 27.687 12.166 -53.683 1.00 0.00 O ATOM 859 CB LYS A 53 26.829 9.352 -52.245 1.00 0.00 C ATOM 860 CG LYS A 53 27.447 7.965 -52.202 1.00 0.00 C ATOM 861 CD LYS A 53 27.485 7.329 -53.581 1.00 0.00 C ATOM 862 CE LYS A 53 28.767 7.679 -54.321 1.00 0.00 C ATOM 863 NZ LYS A 53 29.418 6.474 -54.905 1.00 0.00 N ATOM 0 H LYS A 53 27.456 10.054 -49.964 1.00 0.00 H new ATOM 0 HA LYS A 53 28.778 10.232 -52.464 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.031 9.408 -51.505 1.00 0.00 H new ATOM 0 HB3 LYS A 53 26.370 9.506 -53.221 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.459 8.029 -51.802 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.875 7.332 -51.524 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.403 6.246 -53.486 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.625 7.664 -54.161 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.545 8.392 -55.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.459 8.170 -53.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.288 6.755 -55.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.654 5.804 -54.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 28.768 6.020 -55.578 1.00 0.00 H new ATOM 877 N GLU A 54 26.446 12.464 -51.830 1.00 0.00 N ATOM 878 CA GLU A 54 25.876 13.728 -52.283 1.00 0.00 C ATOM 879 C GLU A 54 26.941 14.819 -52.331 1.00 0.00 C ATOM 880 O GLU A 54 26.988 15.617 -53.268 1.00 0.00 O ATOM 881 CB GLU A 54 24.732 14.156 -51.361 1.00 0.00 C ATOM 882 CG GLU A 54 23.974 15.375 -51.859 1.00 0.00 C ATOM 883 CD GLU A 54 22.921 15.849 -50.875 1.00 0.00 C ATOM 884 OE1 GLU A 54 23.147 15.713 -49.655 1.00 0.00 O ATOM 885 OE2 GLU A 54 21.873 16.356 -51.326 1.00 0.00 O ATOM 0 H GLU A 54 26.124 12.161 -50.911 1.00 0.00 H new ATOM 0 HA GLU A 54 25.486 13.581 -53.290 1.00 0.00 H new ATOM 0 HB2 GLU A 54 24.035 13.325 -51.251 1.00 0.00 H new ATOM 0 HB3 GLU A 54 25.135 14.368 -50.371 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.679 16.184 -52.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.497 15.138 -52.810 1.00 0.00 H new ATOM 892 N LEU A 55 27.795 14.848 -51.313 1.00 0.00 N ATOM 893 CA LEU A 55 28.861 15.842 -51.238 1.00 0.00 C ATOM 894 C LEU A 55 29.953 15.548 -52.261 1.00 0.00 C ATOM 895 O LEU A 55 30.590 16.461 -52.786 1.00 0.00 O ATOM 896 CB LEU A 55 29.459 15.871 -49.830 1.00 0.00 C ATOM 897 CG LEU A 55 29.213 17.146 -49.023 1.00 0.00 C ATOM 898 CD1 LEU A 55 29.052 16.821 -47.546 1.00 0.00 C ATOM 899 CD2 LEU A 55 30.350 18.137 -49.232 1.00 0.00 C ATOM 0 H LEU A 55 27.770 14.196 -50.529 1.00 0.00 H new ATOM 0 HA LEU A 55 28.431 16.818 -51.464 1.00 0.00 H new ATOM 0 HB2 LEU A 55 29.058 15.027 -49.269 1.00 0.00 H new ATOM 0 HB3 LEU A 55 30.535 15.718 -49.911 1.00 0.00 H new ATOM 0 HG LEU A 55 28.289 17.603 -49.376 1.00 0.00 H new ATOM 0 HD11 LEU A 55 28.878 17.741 -46.988 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.204 16.149 -47.412 1.00 0.00 H new ATOM 0 HD13 LEU A 55 29.958 16.340 -47.178 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.158 19.039 -48.650 1.00 0.00 H new ATOM 0 HD22 LEU A 55 31.288 17.688 -48.907 1.00 0.00 H new ATOM 0 HD23 LEU A 55 30.418 18.395 -50.289 1.00 0.00 H new ATOM 911 N LYS A 56 30.165 14.266 -52.541 1.00 0.00 N ATOM 912 CA LYS A 56 31.178 13.850 -53.503 1.00 0.00 C ATOM 913 C LYS A 56 30.930 14.491 -54.865 1.00 0.00 C ATOM 914 O LYS A 56 31.871 14.791 -55.599 1.00 0.00 O ATOM 915 CB LYS A 56 31.186 12.326 -53.639 1.00 0.00 C ATOM 916 CG LYS A 56 32.203 11.810 -54.642 1.00 0.00 C ATOM 917 CD LYS A 56 33.208 10.877 -53.988 1.00 0.00 C ATOM 918 CE LYS A 56 32.636 9.479 -53.807 1.00 0.00 C ATOM 919 NZ LYS A 56 33.252 8.502 -54.747 1.00 0.00 N ATOM 0 H LYS A 56 29.648 13.497 -52.115 1.00 0.00 H new ATOM 0 HA LYS A 56 32.150 14.181 -53.136 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.393 11.884 -52.664 1.00 0.00 H new ATOM 0 HB3 LYS A 56 30.192 11.991 -53.937 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.688 11.285 -55.446 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.728 12.651 -55.095 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.109 10.826 -54.599 1.00 0.00 H new ATOM 0 HD3 LYS A 56 33.502 11.279 -53.019 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.800 9.149 -52.781 1.00 0.00 H new ATOM 0 HE3 LYS A 56 31.558 9.504 -53.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.836 7.562 -54.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.074 8.803 -55.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 34.278 8.458 -54.580 1.00 0.00 H new ATOM 933 N GLU A 57 29.659 14.700 -55.194 1.00 0.00 N ATOM 934 CA GLU A 57 29.290 15.306 -56.467 1.00 0.00 C ATOM 935 C GLU A 57 27.781 15.517 -56.552 1.00 0.00 C ATOM 936 O GLU A 57 27.000 14.599 -56.303 1.00 0.00 O ATOM 937 CB GLU A 57 29.760 14.429 -57.630 1.00 0.00 C ATOM 938 CG GLU A 57 30.868 15.059 -58.458 1.00 0.00 C ATOM 939 CD GLU A 57 31.561 14.058 -59.362 1.00 0.00 C ATOM 940 OE1 GLU A 57 31.109 12.895 -59.415 1.00 0.00 O ATOM 941 OE2 GLU A 57 32.555 14.437 -60.016 1.00 0.00 O ATOM 0 H GLU A 57 28.868 14.459 -54.597 1.00 0.00 H new ATOM 0 HA GLU A 57 29.780 16.278 -56.533 1.00 0.00 H new ATOM 0 HB2 GLU A 57 30.110 13.475 -57.236 1.00 0.00 H new ATOM 0 HB3 GLU A 57 28.911 14.214 -58.278 1.00 0.00 H new ATOM 0 HG2 GLU A 57 30.451 15.863 -59.065 1.00 0.00 H new ATOM 0 HG3 GLU A 57 31.603 15.511 -57.791 1.00 0.00 H new ATOM 948 N PHE A 58 27.379 16.734 -56.906 1.00 0.00 N ATOM 949 CA PHE A 58 25.964 17.067 -57.022 1.00 0.00 C ATOM 950 C PHE A 58 25.593 17.365 -58.472 1.00 0.00 C ATOM 951 O PHE A 58 24.543 16.943 -58.954 1.00 0.00 O ATOM 952 CB PHE A 58 25.628 18.271 -56.140 1.00 0.00 C ATOM 953 CG PHE A 58 24.202 18.726 -56.265 1.00 0.00 C ATOM 954 CD1 PHE A 58 23.163 17.811 -56.226 1.00 0.00 C ATOM 955 CD2 PHE A 58 23.901 20.070 -56.423 1.00 0.00 C ATOM 956 CE1 PHE A 58 21.849 18.227 -56.340 1.00 0.00 C ATOM 957 CE2 PHE A 58 22.590 20.491 -56.537 1.00 0.00 C ATOM 958 CZ PHE A 58 21.563 19.568 -56.497 1.00 0.00 C ATOM 0 H PHE A 58 28.013 17.505 -57.117 1.00 0.00 H new ATOM 0 HA PHE A 58 25.385 16.207 -56.686 1.00 0.00 H new ATOM 0 HB2 PHE A 58 25.830 18.017 -55.099 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.289 19.098 -56.400 1.00 0.00 H new ATOM 0 HD1 PHE A 58 23.382 16.760 -56.105 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.700 20.796 -56.457 1.00 0.00 H new ATOM 0 HE1 PHE A 58 21.048 17.504 -56.306 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.368 21.541 -56.657 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.538 19.895 -56.588 1.00 0.00 H new ATOM 968 N GLU A 59 26.464 18.096 -59.161 1.00 0.00 N ATOM 969 CA GLU A 59 26.227 18.452 -60.555 1.00 0.00 C ATOM 970 C GLU A 59 27.167 17.683 -61.480 1.00 0.00 C ATOM 971 O GLU A 59 26.780 17.277 -62.577 1.00 0.00 O ATOM 972 CB GLU A 59 26.412 19.957 -60.759 1.00 0.00 C ATOM 973 CG GLU A 59 25.497 20.544 -61.821 1.00 0.00 C ATOM 974 CD GLU A 59 26.254 21.329 -62.874 1.00 0.00 C ATOM 975 OE1 GLU A 59 27.246 21.998 -62.517 1.00 0.00 O ATOM 976 OE2 GLU A 59 25.853 21.275 -64.056 1.00 0.00 O ATOM 0 H GLU A 59 27.339 18.453 -58.777 1.00 0.00 H new ATOM 0 HA GLU A 59 25.200 18.183 -60.803 1.00 0.00 H new ATOM 0 HB2 GLU A 59 26.232 20.468 -59.813 1.00 0.00 H new ATOM 0 HB3 GLU A 59 27.448 20.153 -61.035 1.00 0.00 H new ATOM 0 HG2 GLU A 59 24.942 19.739 -62.303 1.00 0.00 H new ATOM 0 HG3 GLU A 59 24.764 21.195 -61.344 1.00 0.00 H new ATOM 983 N CYS A 60 28.401 17.489 -61.030 1.00 0.00 N ATOM 984 CA CYS A 60 29.397 16.770 -61.817 1.00 0.00 C ATOM 985 C CYS A 60 29.380 15.281 -61.487 1.00 0.00 C ATOM 986 O CYS A 60 28.405 14.768 -60.940 1.00 0.00 O ATOM 987 CB CYS A 60 30.791 17.346 -61.562 1.00 0.00 C ATOM 988 SG CYS A 60 31.995 16.965 -62.856 1.00 0.00 S ATOM 0 H CYS A 60 28.736 17.819 -60.125 1.00 0.00 H new ATOM 0 HA CYS A 60 29.149 16.892 -62.871 1.00 0.00 H new ATOM 0 HB2 CYS A 60 30.712 18.428 -61.461 1.00 0.00 H new ATOM 0 HB3 CYS A 60 31.162 16.963 -60.611 1.00 0.00 H new ATOM 0 HG CYS A 60 33.142 17.496 -62.552 1.00 0.00 H new TER 994 CYS A 60