USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 239 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 LYS N :NH3+ -126:sc= 0.0199 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -2.3 X(o=-2.3,f=-2.6!) USER MOD Single : A 5 GLN : amide:sc= -0.0341 K(o=-0.034,f=-0.99) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -96:sc= -1.13 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -7.05! C(o=-7.1!,f=-5.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.769 20.627 3.107 1.00 0.00 N ATOM 2 CA LYS A 1 -3.087 20.021 3.176 1.00 0.00 C ATOM 3 C LYS A 1 -2.944 18.498 3.183 1.00 0.00 C ATOM 4 O LYS A 1 -1.907 17.966 2.790 1.00 0.00 O ATOM 5 CB LYS A 1 -3.978 20.549 2.049 1.00 0.00 C ATOM 6 CG LYS A 1 -5.306 21.073 2.600 1.00 0.00 C ATOM 7 CD LYS A 1 -5.089 22.325 3.453 1.00 0.00 C ATOM 8 CE LYS A 1 -5.246 23.594 2.614 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.831 24.684 3.427 1.00 0.00 N ATOM 0 H1 LYS A 1 -1.656 21.303 3.890 1.00 0.00 H new ATOM 0 H2 LYS A 1 -1.042 19.887 3.181 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.663 21.126 2.201 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.586 20.299 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -3.461 21.347 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.168 19.754 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.981 21.303 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.786 20.299 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.804 22.338 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.094 22.299 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.275 23.903 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.884 23.392 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.931 25.538 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.766 24.393 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.208 24.888 4.234 1.00 0.00 H new ATOM 19 N HIS A 2 -4.001 17.838 3.637 1.00 0.00 N ATOM 20 CA HIS A 2 -4.005 16.387 3.701 1.00 0.00 C ATOM 21 C HIS A 2 -2.687 15.895 4.305 1.00 0.00 C ATOM 22 O HIS A 2 -1.703 15.710 3.590 1.00 0.00 O ATOM 23 CB HIS A 2 -4.288 15.783 2.324 1.00 0.00 C ATOM 24 CG HIS A 2 -4.738 16.789 1.292 1.00 0.00 C ATOM 25 ND1 HIS A 2 -6.047 17.228 1.195 1.00 0.00 N ATOM 26 CD2 HIS A 2 -4.041 17.438 0.317 1.00 0.00 C ATOM 27 CE1 HIS A 2 -6.123 18.100 0.201 1.00 0.00 C ATOM 28 NE2 HIS A 2 -4.878 18.229 -0.343 1.00 0.00 N ATOM 0 H HIS A 2 -4.859 18.282 3.964 1.00 0.00 H new ATOM 0 HA HIS A 2 -4.811 16.051 4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -3.386 15.287 1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -5.055 15.015 2.426 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -2.986 17.327 0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -7.014 18.618 -0.122 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -4.632 18.833 -1.127 1.00 0.00 H new ATOM 36 N LEU A 3 -2.711 15.698 5.615 1.00 0.00 N ATOM 37 CA LEU A 3 -1.532 15.232 6.322 1.00 0.00 C ATOM 38 C LEU A 3 -1.550 13.704 6.385 1.00 0.00 C ATOM 39 O LEU A 3 -0.595 13.050 5.970 1.00 0.00 O ATOM 40 CB LEU A 3 -1.430 15.903 7.694 1.00 0.00 C ATOM 41 CG LEU A 3 -1.601 17.423 7.712 1.00 0.00 C ATOM 42 CD1 LEU A 3 -3.076 17.806 7.844 1.00 0.00 C ATOM 43 CD2 LEU A 3 -0.743 18.059 8.807 1.00 0.00 C ATOM 0 H LEU A 3 -3.529 15.853 6.205 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.628 15.518 5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.184 15.465 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.457 15.662 8.123 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.249 17.818 6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.170 18.892 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.634 17.401 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.476 17.398 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.884 19.140 8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.040 17.663 9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.307 17.828 8.627 1.00 0.00 H new ATOM 54 N LEU A 4 -2.649 13.178 6.909 1.00 0.00 N ATOM 55 CA LEU A 4 -2.805 11.739 7.032 1.00 0.00 C ATOM 56 C LEU A 4 -3.771 11.241 5.955 1.00 0.00 C ATOM 57 O LEU A 4 -3.496 10.251 5.279 1.00 0.00 O ATOM 58 CB LEU A 4 -3.224 11.365 8.455 1.00 0.00 C ATOM 59 CG LEU A 4 -2.203 11.662 9.556 1.00 0.00 C ATOM 60 CD1 LEU A 4 -0.773 11.504 9.033 1.00 0.00 C ATOM 61 CD2 LEU A 4 -2.441 13.044 10.166 1.00 0.00 C ATOM 0 H LEU A 4 -3.439 13.723 7.253 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.852 11.237 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.147 11.894 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.452 10.299 8.477 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.337 10.931 10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.067 11.721 9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.624 10.482 8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.609 12.197 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.702 13.230 10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.350 13.805 9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.441 13.084 10.597 1.00 0.00 H new ATOM 72 N GLN A 5 -4.883 11.950 5.830 1.00 0.00 N ATOM 73 CA GLN A 5 -5.891 11.593 4.847 1.00 0.00 C ATOM 74 C GLN A 5 -5.227 11.096 3.561 1.00 0.00 C ATOM 75 O GLN A 5 -5.779 10.249 2.861 1.00 0.00 O ATOM 76 CB GLN A 5 -6.822 12.774 4.562 1.00 0.00 C ATOM 77 CG GLN A 5 -8.095 12.683 5.405 1.00 0.00 C ATOM 78 CD GLN A 5 -8.590 14.076 5.802 1.00 0.00 C ATOM 79 OE1 GLN A 5 -8.227 15.082 5.216 1.00 0.00 O ATOM 80 NE2 GLN A 5 -9.436 14.078 6.828 1.00 0.00 N ATOM 0 H GLN A 5 -5.108 12.770 6.393 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.498 10.785 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.305 13.709 4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.082 12.789 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.871 12.164 4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.901 12.093 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.699 13.199 7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.822 14.958 7.169 1.00 0.00 H new ATOM 87 N THR A 6 -4.052 11.644 3.291 1.00 0.00 N ATOM 88 CA THR A 6 -3.306 11.266 2.102 1.00 0.00 C ATOM 89 C THR A 6 -2.602 9.925 2.317 1.00 0.00 C ATOM 90 O THR A 6 -2.774 8.997 1.528 1.00 0.00 O ATOM 91 CB THR A 6 -2.346 12.409 1.764 1.00 0.00 C ATOM 92 OG1 THR A 6 -1.769 12.021 0.520 1.00 0.00 O ATOM 93 CG2 THR A 6 -1.155 12.476 2.722 1.00 0.00 C ATOM 0 H THR A 6 -3.598 12.347 3.874 1.00 0.00 H new ATOM 0 HA THR A 6 -3.969 11.116 1.250 1.00 0.00 H new ATOM 0 HB THR A 6 -2.886 13.356 1.789 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.134 12.707 0.226 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.505 13.304 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.515 12.630 3.739 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.595 11.542 2.672 1.00 0.00 H new ATOM 101 N VAL A 7 -1.825 9.866 3.389 1.00 0.00 N ATOM 102 CA VAL A 7 -1.096 8.653 3.717 1.00 0.00 C ATOM 103 C VAL A 7 -2.047 7.456 3.650 1.00 0.00 C ATOM 104 O VAL A 7 -1.646 6.362 3.255 1.00 0.00 O ATOM 105 CB VAL A 7 -0.418 8.803 5.081 1.00 0.00 C ATOM 106 CG1 VAL A 7 0.548 7.646 5.343 1.00 0.00 C ATOM 107 CG2 VAL A 7 0.297 10.151 5.192 1.00 0.00 C ATOM 0 H VAL A 7 -1.685 10.638 4.041 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.302 8.477 2.991 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.193 8.771 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.016 7.777 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.000 6.704 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.317 7.632 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.770 10.232 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.057 10.225 4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.426 10.958 5.071 1.00 0.00 H new ATOM 117 N LEU A 8 -3.287 7.705 4.043 1.00 0.00 N ATOM 118 CA LEU A 8 -4.299 6.661 4.032 1.00 0.00 C ATOM 119 C LEU A 8 -4.508 6.174 2.597 1.00 0.00 C ATOM 120 O LEU A 8 -4.756 4.991 2.370 1.00 0.00 O ATOM 121 CB LEU A 8 -5.581 7.151 4.708 1.00 0.00 C ATOM 122 CG LEU A 8 -6.829 7.198 3.824 1.00 0.00 C ATOM 123 CD1 LEU A 8 -7.492 5.822 3.739 1.00 0.00 C ATOM 124 CD2 LEU A 8 -7.802 8.275 4.307 1.00 0.00 C ATOM 0 H LEU A 8 -3.615 8.614 4.371 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.967 5.802 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.788 6.505 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.401 8.151 5.102 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.523 7.471 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.377 5.883 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.789 5.105 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.783 5.496 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.680 8.288 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.107 8.057 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.313 9.249 4.273 1.00 0.00 H new ATOM 135 N HIS A 9 -4.399 7.110 1.666 1.00 0.00 N ATOM 136 CA HIS A 9 -4.573 6.791 0.259 1.00 0.00 C ATOM 137 C HIS A 9 -3.256 6.263 -0.313 1.00 0.00 C ATOM 138 O HIS A 9 -3.256 5.347 -1.135 1.00 0.00 O ATOM 139 CB HIS A 9 -5.112 7.998 -0.510 1.00 0.00 C ATOM 140 CG HIS A 9 -5.245 7.771 -1.996 1.00 0.00 C ATOM 141 ND1 HIS A 9 -6.374 7.213 -2.572 1.00 0.00 N ATOM 142 CD2 HIS A 9 -4.381 8.032 -3.019 1.00 0.00 C ATOM 143 CE1 HIS A 9 -6.185 7.146 -3.882 1.00 0.00 C ATOM 144 NE2 HIS A 9 -4.949 7.653 -4.157 1.00 0.00 N ATOM 0 H HIS A 9 -4.192 8.090 1.858 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.319 6.003 0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.088 8.267 -0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.451 8.848 -0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.400 8.473 -2.920 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.887 6.758 -4.605 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.530 7.728 -5.084 1.00 0.00 H new ATOM 152 N ILE A 10 -2.167 6.863 0.142 1.00 0.00 N ATOM 153 CA ILE A 10 -0.846 6.465 -0.316 1.00 0.00 C ATOM 154 C ILE A 10 -0.572 5.026 0.124 1.00 0.00 C ATOM 155 O ILE A 10 -0.336 4.153 -0.711 1.00 0.00 O ATOM 156 CB ILE A 10 0.209 7.464 0.161 1.00 0.00 C ATOM 157 CG1 ILE A 10 0.022 8.825 -0.514 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.621 6.912 -0.047 1.00 0.00 C ATOM 159 CD1 ILE A 10 0.783 9.919 0.235 1.00 0.00 C ATOM 0 H ILE A 10 -2.171 7.622 0.823 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.799 6.481 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 10 0.076 7.614 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.372 8.774 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.039 9.074 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.352 7.642 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.736 5.986 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.782 6.714 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.633 10.875 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.414 9.984 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.846 9.679 0.248 1.00 0.00 H new ATOM 170 N ILE A 11 -0.613 4.821 1.432 1.00 0.00 N ATOM 171 CA ILE A 11 -0.372 3.502 1.992 1.00 0.00 C ATOM 172 C ILE A 11 -1.377 2.512 1.402 1.00 0.00 C ATOM 173 O ILE A 11 -1.174 1.300 1.472 1.00 0.00 O ATOM 174 CB ILE A 11 -0.387 3.558 3.521 1.00 0.00 C ATOM 175 CG1 ILE A 11 0.973 3.998 4.067 1.00 0.00 C ATOM 176 CG2 ILE A 11 -0.839 2.222 4.113 1.00 0.00 C ATOM 177 CD1 ILE A 11 1.379 5.358 3.498 1.00 0.00 C ATOM 0 H ILE A 11 -0.810 5.547 2.121 1.00 0.00 H new ATOM 0 HA ILE A 11 0.622 3.148 1.720 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.115 4.309 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.931 4.053 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.728 3.254 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.841 2.288 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.844 1.990 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.154 1.434 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.349 5.647 3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.443 5.293 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.634 6.105 3.774 1.00 0.00 H new ATOM 188 N GLN A 12 -2.440 3.063 0.835 1.00 0.00 N ATOM 189 CA GLN A 12 -3.477 2.242 0.234 1.00 0.00 C ATOM 190 C GLN A 12 -2.943 1.543 -1.017 1.00 0.00 C ATOM 191 O GLN A 12 -2.979 0.316 -1.110 1.00 0.00 O ATOM 192 CB GLN A 12 -4.717 3.078 -0.092 1.00 0.00 C ATOM 193 CG GLN A 12 -5.989 2.390 0.407 1.00 0.00 C ATOM 194 CD GLN A 12 -7.235 3.024 -0.215 1.00 0.00 C ATOM 195 OE1 GLN A 12 -7.574 2.792 -1.364 1.00 0.00 O ATOM 196 NE2 GLN A 12 -7.897 3.834 0.606 1.00 0.00 N ATOM 0 H GLN A 12 -2.605 4.068 0.779 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.772 1.479 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.627 4.062 0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.782 3.234 -1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.954 1.329 0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.044 2.462 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.559 3.985 1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.743 4.305 0.285 1.00 0.00 H new ATOM 203 N VAL A 13 -2.459 2.352 -1.948 1.00 0.00 N ATOM 204 CA VAL A 13 -1.919 1.827 -3.190 1.00 0.00 C ATOM 205 C VAL A 13 -0.807 0.824 -2.872 1.00 0.00 C ATOM 206 O VAL A 13 -0.961 -0.373 -3.104 1.00 0.00 O ATOM 207 CB VAL A 13 -1.449 2.976 -4.084 1.00 0.00 C ATOM 208 CG1 VAL A 13 -0.801 2.444 -5.364 1.00 0.00 C ATOM 209 CG2 VAL A 13 -2.604 3.926 -4.408 1.00 0.00 C ATOM 0 H VAL A 13 -2.430 3.368 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.690 1.294 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.695 3.541 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.476 3.281 -5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.060 1.827 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.525 1.845 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.243 4.734 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.391 3.379 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.002 4.343 -3.483 1.00 0.00 H new ATOM 219 N VAL A 14 0.289 1.351 -2.345 1.00 0.00 N ATOM 220 CA VAL A 14 1.425 0.518 -1.994 1.00 0.00 C ATOM 221 C VAL A 14 0.922 -0.826 -1.461 1.00 0.00 C ATOM 222 O VAL A 14 1.136 -1.865 -2.084 1.00 0.00 O ATOM 223 CB VAL A 14 2.327 1.254 -1.001 1.00 0.00 C ATOM 224 CG1 VAL A 14 3.649 1.659 -1.657 1.00 0.00 C ATOM 225 CG2 VAL A 14 1.613 2.470 -0.409 1.00 0.00 C ATOM 0 H VAL A 14 0.413 2.345 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 14 2.033 0.312 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 14 2.555 0.569 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.271 2.180 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.169 0.768 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.449 2.318 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.276 2.975 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.341 3.158 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.712 2.145 0.112 1.00 0.00 H new ATOM 235 N ILE A 15 0.262 -0.762 -0.314 1.00 0.00 N ATOM 236 CA ILE A 15 -0.273 -1.960 0.310 1.00 0.00 C ATOM 237 C ILE A 15 -1.108 -2.732 -0.714 1.00 0.00 C ATOM 238 O ILE A 15 -1.010 -3.955 -0.804 1.00 0.00 O ATOM 239 CB ILE A 15 -1.039 -1.603 1.586 1.00 0.00 C ATOM 240 CG1 ILE A 15 -0.091 -1.082 2.667 1.00 0.00 C ATOM 241 CG2 ILE A 15 -1.870 -2.791 2.076 1.00 0.00 C ATOM 242 CD1 ILE A 15 -0.763 -1.102 4.042 1.00 0.00 C ATOM 0 H ILE A 15 0.086 0.101 0.200 1.00 0.00 H new ATOM 0 HA ILE A 15 0.535 -2.620 0.626 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.735 -0.797 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.811 -1.694 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.219 -0.066 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.405 -2.511 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.587 -3.076 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.211 -3.633 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.067 -0.727 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.651 -0.470 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.050 -2.123 4.292 1.00 0.00 H new ATOM 253 N SER A 16 -1.912 -1.986 -1.458 1.00 0.00 N ATOM 254 CA SER A 16 -2.764 -2.585 -2.471 1.00 0.00 C ATOM 255 C SER A 16 -1.905 -3.241 -3.555 1.00 0.00 C ATOM 256 O SER A 16 -2.375 -4.123 -4.275 1.00 0.00 O ATOM 257 CB SER A 16 -3.698 -1.545 -3.092 1.00 0.00 C ATOM 258 OG SER A 16 -4.618 -2.132 -4.009 1.00 0.00 O ATOM 0 H SER A 16 -1.991 -0.972 -1.379 1.00 0.00 H new ATOM 0 HA SER A 16 -3.380 -3.346 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.249 -1.035 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.106 -0.788 -3.607 1.00 0.00 H new ATOM 0 HG SER A 16 -5.197 -1.435 -4.382 1.00 0.00 H new ATOM 263 N TYR A 17 -0.664 -2.788 -3.637 1.00 0.00 N ATOM 264 CA TYR A 17 0.264 -3.320 -4.620 1.00 0.00 C ATOM 265 C TYR A 17 1.193 -4.361 -3.991 1.00 0.00 C ATOM 266 O TYR A 17 1.760 -5.196 -4.694 1.00 0.00 O ATOM 267 CB TYR A 17 1.100 -2.131 -5.098 1.00 0.00 C ATOM 268 CG TYR A 17 2.279 -2.519 -5.993 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.350 -3.209 -5.463 1.00 0.00 C ATOM 270 CD2 TYR A 17 2.271 -2.178 -7.330 1.00 0.00 C ATOM 271 CE1 TYR A 17 4.460 -3.574 -6.305 1.00 0.00 C ATOM 272 CE2 TYR A 17 3.380 -2.543 -8.173 1.00 0.00 C ATOM 273 CZ TYR A 17 4.420 -3.222 -7.619 1.00 0.00 C ATOM 274 OH TYR A 17 5.468 -3.567 -8.414 1.00 0.00 O ATOM 0 H TYR A 17 -0.279 -2.058 -3.038 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.276 -3.806 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.455 -1.442 -5.643 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.479 -1.593 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.356 -3.475 -4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.433 -1.637 -7.744 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.304 -4.114 -5.903 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.386 -2.283 -9.221 1.00 0.00 H new ATOM 0 HH TYR A 17 5.303 -3.252 -9.327 1.00 0.00 H new ATOM 283 N PHE A 18 1.319 -4.277 -2.675 1.00 0.00 N ATOM 284 CA PHE A 18 2.168 -5.202 -1.944 1.00 0.00 C ATOM 285 C PHE A 18 1.400 -6.468 -1.562 1.00 0.00 C ATOM 286 O PHE A 18 1.847 -7.579 -1.845 1.00 0.00 O ATOM 287 CB PHE A 18 2.613 -4.485 -0.668 1.00 0.00 C ATOM 288 CG PHE A 18 3.672 -3.405 -0.897 1.00 0.00 C ATOM 289 CD1 PHE A 18 4.710 -3.638 -1.745 1.00 0.00 C ATOM 290 CD2 PHE A 18 3.576 -2.211 -0.253 1.00 0.00 C ATOM 291 CE1 PHE A 18 5.692 -2.636 -1.958 1.00 0.00 C ATOM 292 CE2 PHE A 18 4.558 -1.208 -0.466 1.00 0.00 C ATOM 293 CZ PHE A 18 5.596 -1.442 -1.313 1.00 0.00 C ATOM 0 H PHE A 18 0.847 -3.582 -2.096 1.00 0.00 H new ATOM 0 HA PHE A 18 3.015 -5.498 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.742 -4.031 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.006 -5.222 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.787 -4.586 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.752 -2.026 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.515 -2.821 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.481 -0.259 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.344 -0.680 -1.474 1.00 0.00 H new ATOM 302 N LEU A 19 0.256 -6.259 -0.928 1.00 0.00 N ATOM 303 CA LEU A 19 -0.579 -7.370 -0.504 1.00 0.00 C ATOM 304 C LEU A 19 -0.643 -8.410 -1.625 1.00 0.00 C ATOM 305 O LEU A 19 -0.469 -9.603 -1.380 1.00 0.00 O ATOM 306 CB LEU A 19 -1.952 -6.868 -0.053 1.00 0.00 C ATOM 307 CG LEU A 19 -2.626 -7.669 1.062 1.00 0.00 C ATOM 308 CD1 LEU A 19 -2.478 -9.173 0.824 1.00 0.00 C ATOM 309 CD2 LEU A 19 -2.096 -7.250 2.435 1.00 0.00 C ATOM 0 H LEU A 19 -0.113 -5.336 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.144 -7.863 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.848 -5.836 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.615 -6.858 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.693 -7.445 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.966 -9.719 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.942 -9.438 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.420 -9.435 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.591 -7.835 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.021 -7.426 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.297 -6.191 2.595 1.00 0.00 H new ATOM 320 N MET A 20 -0.893 -7.919 -2.830 1.00 0.00 N ATOM 321 CA MET A 20 -0.981 -8.792 -3.989 1.00 0.00 C ATOM 322 C MET A 20 0.203 -9.759 -4.040 1.00 0.00 C ATOM 323 O MET A 20 0.054 -10.907 -4.455 1.00 0.00 O ATOM 324 CB MET A 20 -1.004 -7.946 -5.264 1.00 0.00 C ATOM 325 CG MET A 20 -1.053 -8.834 -6.509 1.00 0.00 C ATOM 326 SD MET A 20 -0.483 -7.920 -7.932 1.00 0.00 S ATOM 327 CE MET A 20 -1.196 -8.903 -9.239 1.00 0.00 C ATOM 0 H MET A 20 -1.037 -6.929 -3.029 1.00 0.00 H new ATOM 0 HA MET A 20 -1.898 -9.375 -3.912 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.870 -7.284 -5.250 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.119 -7.311 -5.300 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.432 -9.717 -6.361 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.071 -9.185 -6.676 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.935 -8.469 -10.204 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.808 -9.920 -9.182 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.280 -8.921 -9.130 1.00 0.00 H new ATOM 335 N LEU A 21 1.352 -9.261 -3.608 1.00 0.00 N ATOM 336 CA LEU A 21 2.562 -10.067 -3.599 1.00 0.00 C ATOM 337 C LEU A 21 2.658 -10.818 -2.269 1.00 0.00 C ATOM 338 O LEU A 21 3.219 -11.911 -2.209 1.00 0.00 O ATOM 339 CB LEU A 21 3.785 -9.202 -3.906 1.00 0.00 C ATOM 340 CG LEU A 21 4.667 -8.838 -2.711 1.00 0.00 C ATOM 341 CD1 LEU A 21 5.722 -9.917 -2.459 1.00 0.00 C ATOM 342 CD2 LEU A 21 5.295 -7.454 -2.893 1.00 0.00 C ATOM 0 H LEU A 21 1.471 -8.309 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 21 2.526 -10.818 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.399 -9.724 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.444 -8.279 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 21 4.036 -8.791 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.336 -9.633 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.229 -10.867 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.354 -10.021 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.917 -7.220 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.908 -7.448 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.507 -6.706 -2.986 1.00 0.00 H new ATOM 353 N ILE A 22 2.102 -10.201 -1.236 1.00 0.00 N ATOM 354 CA ILE A 22 2.119 -10.798 0.088 1.00 0.00 C ATOM 355 C ILE A 22 1.284 -12.080 0.077 1.00 0.00 C ATOM 356 O ILE A 22 1.831 -13.181 0.094 1.00 0.00 O ATOM 357 CB ILE A 22 1.669 -9.781 1.139 1.00 0.00 C ATOM 358 CG1 ILE A 22 2.412 -8.454 0.973 1.00 0.00 C ATOM 359 CG2 ILE A 22 1.821 -10.349 2.552 1.00 0.00 C ATOM 360 CD1 ILE A 22 3.559 -8.337 1.978 1.00 0.00 C ATOM 0 H ILE A 22 1.637 -9.295 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 22 3.135 -11.082 0.365 1.00 0.00 H new ATOM 0 HB ILE A 22 0.609 -9.578 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.804 -8.377 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.718 -7.625 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.494 -9.606 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.211 -11.247 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.866 -10.599 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.070 -7.384 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.161 -8.390 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.264 -9.153 1.822 1.00 0.00 H new ATOM 371 N PHE A 23 -0.027 -11.895 0.046 1.00 0.00 N ATOM 372 CA PHE A 23 -0.943 -13.022 0.031 1.00 0.00 C ATOM 373 C PHE A 23 -0.367 -14.185 -0.781 1.00 0.00 C ATOM 374 O PHE A 23 -0.363 -15.325 -0.321 1.00 0.00 O ATOM 375 CB PHE A 23 -2.234 -12.542 -0.633 1.00 0.00 C ATOM 376 CG PHE A 23 -3.311 -13.621 -0.754 1.00 0.00 C ATOM 377 CD1 PHE A 23 -3.190 -14.784 -0.057 1.00 0.00 C ATOM 378 CD2 PHE A 23 -4.391 -13.420 -1.556 1.00 0.00 C ATOM 379 CE1 PHE A 23 -4.189 -15.785 -0.169 1.00 0.00 C ATOM 380 CE2 PHE A 23 -5.390 -14.421 -1.668 1.00 0.00 C ATOM 381 CZ PHE A 23 -5.269 -15.584 -0.971 1.00 0.00 C ATOM 0 H PHE A 23 -0.477 -10.980 0.031 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.116 -13.374 1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.635 -11.706 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.000 -12.164 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.334 -14.945 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.488 -12.497 -2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.092 -16.708 0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.246 -14.260 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.030 -16.346 -1.055 1.00 0.00 H new ATOM 390 N MET A 24 0.104 -13.854 -1.974 1.00 0.00 N ATOM 391 CA MET A 24 0.680 -14.857 -2.854 1.00 0.00 C ATOM 392 C MET A 24 1.877 -15.543 -2.194 1.00 0.00 C ATOM 393 O MET A 24 1.853 -16.750 -1.956 1.00 0.00 O ATOM 394 CB MET A 24 1.127 -14.195 -4.159 1.00 0.00 C ATOM 395 CG MET A 24 0.302 -14.704 -5.342 1.00 0.00 C ATOM 396 SD MET A 24 1.340 -15.636 -6.455 1.00 0.00 S ATOM 397 CE MET A 24 0.152 -16.818 -7.071 1.00 0.00 C ATOM 0 H MET A 24 0.099 -12.907 -2.352 1.00 0.00 H new ATOM 0 HA MET A 24 -0.079 -15.611 -3.060 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.022 -13.113 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.183 -14.401 -4.332 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.515 -15.330 -4.983 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.149 -13.864 -5.870 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.638 -17.484 -7.785 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.244 -17.403 -6.241 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.664 -16.290 -7.564 1.00 0.00 H new ATOM 405 N THR A 25 2.898 -14.744 -1.916 1.00 0.00 N ATOM 406 CA THR A 25 4.103 -15.260 -1.287 1.00 0.00 C ATOM 407 C THR A 25 3.747 -16.077 -0.044 1.00 0.00 C ATOM 408 O THR A 25 4.346 -17.122 0.209 1.00 0.00 O ATOM 409 CB THR A 25 5.025 -14.076 -0.993 1.00 0.00 C ATOM 410 OG1 THR A 25 4.173 -13.117 -0.373 1.00 0.00 O ATOM 411 CG2 THR A 25 5.507 -13.378 -2.266 1.00 0.00 C ATOM 0 H THR A 25 2.915 -13.744 -2.115 1.00 0.00 H new ATOM 0 HA THR A 25 4.632 -15.947 -1.948 1.00 0.00 H new ATOM 0 HB THR A 25 5.886 -14.421 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.850 -12.483 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.158 -12.545 -2.000 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.059 -14.087 -2.883 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.648 -13.004 -2.823 1.00 0.00 H new ATOM 419 N TYR A 26 2.774 -15.570 0.700 1.00 0.00 N ATOM 420 CA TYR A 26 2.332 -16.241 1.912 1.00 0.00 C ATOM 421 C TYR A 26 1.437 -17.437 1.581 1.00 0.00 C ATOM 422 O TYR A 26 0.910 -18.090 2.480 1.00 0.00 O ATOM 423 CB TYR A 26 1.516 -15.208 2.691 1.00 0.00 C ATOM 424 CG TYR A 26 2.361 -14.121 3.357 1.00 0.00 C ATOM 425 CD1 TYR A 26 3.684 -13.957 2.997 1.00 0.00 C ATOM 426 CD2 TYR A 26 1.802 -13.304 4.319 1.00 0.00 C ATOM 427 CE1 TYR A 26 4.480 -12.934 3.624 1.00 0.00 C ATOM 428 CE2 TYR A 26 2.598 -12.281 4.946 1.00 0.00 C ATOM 429 CZ TYR A 26 3.898 -12.147 4.568 1.00 0.00 C ATOM 430 OH TYR A 26 4.650 -11.180 5.160 1.00 0.00 O ATOM 0 H TYR A 26 2.280 -14.703 0.487 1.00 0.00 H new ATOM 0 HA TYR A 26 3.186 -16.613 2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.804 -14.736 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.935 -15.722 3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.122 -14.596 2.245 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.767 -13.432 4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.516 -12.795 3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.173 -11.635 5.699 1.00 0.00 H new ATOM 0 HH TYR A 26 4.104 -10.695 5.813 1.00 0.00 H new ATOM 439 N ASN A 27 1.292 -17.686 0.288 1.00 0.00 N ATOM 440 CA ASN A 27 0.469 -18.792 -0.173 1.00 0.00 C ATOM 441 C ASN A 27 1.333 -19.763 -0.982 1.00 0.00 C ATOM 442 O ASN A 27 1.467 -20.930 -0.619 1.00 0.00 O ATOM 443 CB ASN A 27 -0.662 -18.298 -1.077 1.00 0.00 C ATOM 444 CG ASN A 27 -1.906 -17.948 -0.258 1.00 0.00 C ATOM 445 OD1 ASN A 27 -3.010 -18.381 -0.544 1.00 0.00 O ATOM 446 ND2 ASN A 27 -1.666 -17.143 0.772 1.00 0.00 N ATOM 0 H ASN A 27 1.730 -17.141 -0.455 1.00 0.00 H new ATOM 0 HA ASN A 27 0.042 -19.282 0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.331 -17.422 -1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.909 -19.067 -1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.431 -16.851 1.380 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.717 -16.817 0.954 1.00 0.00 H new ATOM 452 N LYS A 28 1.895 -19.242 -2.063 1.00 0.00 N ATOM 453 CA LYS A 28 2.741 -20.048 -2.927 1.00 0.00 C ATOM 454 C LYS A 28 1.882 -20.703 -4.011 1.00 0.00 C ATOM 455 O LYS A 28 2.350 -20.933 -5.124 1.00 0.00 O ATOM 456 CB LYS A 28 3.554 -21.047 -2.100 1.00 0.00 C ATOM 457 CG LYS A 28 2.926 -22.441 -2.151 1.00 0.00 C ATOM 458 CD LYS A 28 3.483 -23.251 -3.323 1.00 0.00 C ATOM 459 CE LYS A 28 3.136 -24.735 -3.177 1.00 0.00 C ATOM 460 NZ LYS A 28 2.962 -25.358 -4.508 1.00 0.00 N ATOM 0 H LYS A 28 1.781 -18.273 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 28 3.472 -19.420 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.576 -21.091 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.611 -20.707 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.121 -22.966 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.844 -22.353 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.077 -22.869 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.565 -23.130 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.927 -25.248 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.221 -24.845 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.727 -26.364 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.192 -24.879 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.844 -25.269 -5.051 1.00 0.00 H new ATOM 470 N LYS A 29 0.639 -20.984 -3.646 1.00 0.00 N ATOM 471 CA LYS A 29 -0.289 -21.607 -4.572 1.00 0.00 C ATOM 472 C LYS A 29 -0.470 -20.702 -5.793 1.00 0.00 C ATOM 473 O LYS A 29 0.101 -20.960 -6.852 1.00 0.00 O ATOM 474 CB LYS A 29 -1.601 -21.954 -3.864 1.00 0.00 C ATOM 475 CG LYS A 29 -2.709 -22.249 -4.877 1.00 0.00 C ATOM 476 CD LYS A 29 -3.394 -23.582 -4.567 1.00 0.00 C ATOM 477 CE LYS A 29 -4.890 -23.516 -4.884 1.00 0.00 C ATOM 478 NZ LYS A 29 -5.611 -24.622 -4.214 1.00 0.00 N ATOM 0 H LYS A 29 0.254 -20.791 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 29 0.112 -22.554 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.453 -22.820 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.902 -21.126 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.445 -21.445 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.289 -22.277 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.930 -24.378 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.252 -23.832 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.295 -22.559 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.042 -23.575 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.625 -24.563 -4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.235 -25.533 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.480 -24.548 -3.185 1.00 0.00 H new TER 488 LYS A 29