USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 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 Set 1.1: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 24 MET CE :methyl 165:sc= -2.1! (180deg=-3.02!) USER MOD Single : A 1 LYS N :NH3+ -150:sc= 0 (180deg=-0.9) USER MOD Single : A 1 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00325) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 5 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.51) 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=-0.07) 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 25 THR OG1 : rot -160:sc= 0.00779 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.76 K(o=-2.8,f=-12!) 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 -1.685 18.664 9.405 1.00 0.00 N ATOM 2 CA LYS A 1 -3.106 18.857 9.636 1.00 0.00 C ATOM 3 C LYS A 1 -3.883 17.700 9.001 1.00 0.00 C ATOM 4 O LYS A 1 -4.456 17.852 7.924 1.00 0.00 O ATOM 5 CB LYS A 1 -3.547 20.236 9.145 1.00 0.00 C ATOM 6 CG LYS A 1 -4.640 20.815 10.047 1.00 0.00 C ATOM 7 CD LYS A 1 -4.046 21.360 11.347 1.00 0.00 C ATOM 8 CE LYS A 1 -3.783 22.863 11.244 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.043 23.622 11.416 1.00 0.00 N ATOM 0 H1 LYS A 1 -1.146 19.084 10.189 1.00 0.00 H new ATOM 0 H2 LYS A 1 -1.478 17.646 9.348 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.413 19.123 8.512 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.324 18.841 10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -2.691 20.910 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -3.916 20.161 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.166 21.612 9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.375 20.043 10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.729 21.163 12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.115 20.839 11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.063 23.165 12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.341 23.095 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.919 24.588 11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.807 23.149 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.288 23.663 12.426 1.00 0.00 H new ATOM 19 N HIS A 2 -3.875 16.573 9.695 1.00 0.00 N ATOM 20 CA HIS A 2 -4.571 15.392 9.212 1.00 0.00 C ATOM 21 C HIS A 2 -4.008 14.987 7.849 1.00 0.00 C ATOM 22 O HIS A 2 -4.676 14.298 7.078 1.00 0.00 O ATOM 23 CB HIS A 2 -6.083 15.626 9.185 1.00 0.00 C ATOM 24 CG HIS A 2 -6.843 14.853 10.236 1.00 0.00 C ATOM 25 ND1 HIS A 2 -6.625 15.018 11.592 1.00 0.00 N ATOM 26 CD2 HIS A 2 -7.822 13.910 10.115 1.00 0.00 C ATOM 27 CE1 HIS A 2 -7.440 14.206 12.249 1.00 0.00 C ATOM 28 NE2 HIS A 2 -8.181 13.519 11.332 1.00 0.00 N ATOM 0 H HIS A 2 -3.398 16.452 10.588 1.00 0.00 H new ATOM 0 HA HIS A 2 -4.404 14.560 9.896 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -6.278 16.690 9.319 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -6.465 15.354 8.201 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -8.235 13.544 9.187 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -7.506 14.105 13.322 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -8.893 12.821 11.546 1.00 0.00 H new ATOM 36 N LEU A 3 -2.788 15.430 7.593 1.00 0.00 N ATOM 37 CA LEU A 3 -2.128 15.123 6.335 1.00 0.00 C ATOM 38 C LEU A 3 -2.411 13.667 5.959 1.00 0.00 C ATOM 39 O LEU A 3 -2.500 13.333 4.778 1.00 0.00 O ATOM 40 CB LEU A 3 -0.637 15.458 6.416 1.00 0.00 C ATOM 41 CG LEU A 3 -0.291 16.937 6.602 1.00 0.00 C ATOM 42 CD1 LEU A 3 1.022 17.285 5.900 1.00 0.00 C ATOM 43 CD2 LEU A 3 -1.444 17.831 6.140 1.00 0.00 C ATOM 0 H LEU A 3 -2.237 16.000 8.235 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.527 15.744 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.203 14.897 7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.155 15.104 5.504 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.145 17.124 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.245 18.342 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.829 16.682 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.930 17.079 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.173 18.877 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.645 17.649 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.336 17.605 6.724 1.00 0.00 H new ATOM 54 N LEU A 4 -2.544 12.839 6.984 1.00 0.00 N ATOM 55 CA LEU A 4 -2.816 11.427 6.776 1.00 0.00 C ATOM 56 C LEU A 4 -3.899 11.273 5.707 1.00 0.00 C ATOM 57 O LEU A 4 -3.869 10.327 4.920 1.00 0.00 O ATOM 58 CB LEU A 4 -3.160 10.746 8.103 1.00 0.00 C ATOM 59 CG LEU A 4 -1.982 10.468 9.039 1.00 0.00 C ATOM 60 CD1 LEU A 4 -0.870 9.712 8.312 1.00 0.00 C ATOM 61 CD2 LEU A 4 -1.472 11.762 9.678 1.00 0.00 C ATOM 0 H LEU A 4 -2.468 13.119 7.962 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.926 10.918 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.880 11.370 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.657 9.800 7.885 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.333 9.826 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.045 9.528 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.256 8.761 7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.515 10.308 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.635 11.536 10.339 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.144 12.448 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.274 12.224 10.254 1.00 0.00 H new ATOM 72 N GLN A 5 -4.829 12.215 5.713 1.00 0.00 N ATOM 73 CA GLN A 5 -5.920 12.196 4.752 1.00 0.00 C ATOM 74 C GLN A 5 -5.424 11.688 3.396 1.00 0.00 C ATOM 75 O GLN A 5 -6.177 11.063 2.651 1.00 0.00 O ATOM 76 CB GLN A 5 -6.559 13.579 4.620 1.00 0.00 C ATOM 77 CG GLN A 5 -8.042 13.466 4.259 1.00 0.00 C ATOM 78 CD GLN A 5 -8.813 12.705 5.340 1.00 0.00 C ATOM 79 OE1 GLN A 5 -8.897 13.117 6.485 1.00 0.00 O ATOM 80 NE2 GLN A 5 -9.369 11.575 4.913 1.00 0.00 N ATOM 0 H GLN A 5 -4.851 12.997 6.368 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.687 11.512 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.450 14.125 5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.037 14.153 3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.467 14.462 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.149 12.954 3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.259 11.289 3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.905 10.995 5.558 1.00 0.00 H new ATOM 87 N THR A 6 -4.162 11.977 3.118 1.00 0.00 N ATOM 88 CA THR A 6 -3.557 11.559 1.865 1.00 0.00 C ATOM 89 C THR A 6 -2.770 10.261 2.060 1.00 0.00 C ATOM 90 O THR A 6 -2.956 9.301 1.315 1.00 0.00 O ATOM 91 CB THR A 6 -2.702 12.716 1.343 1.00 0.00 C ATOM 92 OG1 THR A 6 -2.524 12.419 -0.040 1.00 0.00 O ATOM 93 CG2 THR A 6 -1.283 12.699 1.915 1.00 0.00 C ATOM 0 H THR A 6 -3.541 12.496 3.739 1.00 0.00 H new ATOM 0 HA THR A 6 -4.315 11.333 1.115 1.00 0.00 H new ATOM 0 HB THR A 6 -3.181 13.663 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.981 13.120 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.719 13.540 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.328 12.778 3.001 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.791 11.767 1.639 1.00 0.00 H new ATOM 101 N VAL A 7 -1.908 10.276 3.066 1.00 0.00 N ATOM 102 CA VAL A 7 -1.091 9.112 3.368 1.00 0.00 C ATOM 103 C VAL A 7 -1.967 7.858 3.339 1.00 0.00 C ATOM 104 O VAL A 7 -1.544 6.813 2.848 1.00 0.00 O ATOM 105 CB VAL A 7 -0.374 9.309 4.706 1.00 0.00 C ATOM 106 CG1 VAL A 7 0.661 8.207 4.940 1.00 0.00 C ATOM 107 CG2 VAL A 7 0.272 10.693 4.783 1.00 0.00 C ATOM 0 H VAL A 7 -1.757 11.075 3.682 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.315 8.984 2.614 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.119 9.243 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.156 8.370 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.164 7.237 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.401 8.228 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.775 10.807 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.999 10.800 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.497 11.459 4.682 1.00 0.00 H new ATOM 117 N LEU A 8 -3.173 8.005 3.869 1.00 0.00 N ATOM 118 CA LEU A 8 -4.112 6.897 3.909 1.00 0.00 C ATOM 119 C LEU A 8 -4.232 6.284 2.513 1.00 0.00 C ATOM 120 O LEU A 8 -4.134 5.068 2.353 1.00 0.00 O ATOM 121 CB LEU A 8 -5.449 7.349 4.499 1.00 0.00 C ATOM 122 CG LEU A 8 -5.378 8.079 5.843 1.00 0.00 C ATOM 123 CD1 LEU A 8 -6.349 9.260 5.879 1.00 0.00 C ATOM 124 CD2 LEU A 8 -5.609 7.110 7.005 1.00 0.00 C ATOM 0 H LEU A 8 -3.521 8.874 4.274 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.746 6.112 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.939 8.004 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.086 6.472 4.618 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.374 8.487 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.278 9.760 6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.096 9.964 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.367 8.899 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.553 7.653 7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.594 6.653 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.845 6.333 6.988 1.00 0.00 H new ATOM 135 N HIS A 9 -4.442 7.155 1.535 1.00 0.00 N ATOM 136 CA HIS A 9 -4.577 6.715 0.157 1.00 0.00 C ATOM 137 C HIS A 9 -3.232 6.186 -0.346 1.00 0.00 C ATOM 138 O HIS A 9 -3.189 5.321 -1.220 1.00 0.00 O ATOM 139 CB HIS A 9 -5.138 7.836 -0.718 1.00 0.00 C ATOM 140 CG HIS A 9 -6.546 7.590 -1.205 1.00 0.00 C ATOM 141 ND1 HIS A 9 -6.878 6.533 -2.037 1.00 0.00 N ATOM 142 CD2 HIS A 9 -7.703 8.271 -0.968 1.00 0.00 C ATOM 143 CE1 HIS A 9 -8.178 6.587 -2.284 1.00 0.00 C ATOM 144 NE2 HIS A 9 -8.688 7.665 -1.620 1.00 0.00 N ATOM 0 H HIS A 9 -4.522 8.163 1.671 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.294 5.896 0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.118 8.768 -0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.485 7.971 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.802 9.154 -0.354 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.736 5.899 -2.902 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.665 7.957 -1.624 1.00 0.00 H new ATOM 152 N ILE A 10 -2.167 6.727 0.228 1.00 0.00 N ATOM 153 CA ILE A 10 -0.825 6.321 -0.151 1.00 0.00 C ATOM 154 C ILE A 10 -0.584 4.881 0.308 1.00 0.00 C ATOM 155 O ILE A 10 -0.325 4.000 -0.511 1.00 0.00 O ATOM 156 CB ILE A 10 0.207 7.316 0.381 1.00 0.00 C ATOM 157 CG1 ILE A 10 -0.018 8.709 -0.213 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.631 6.813 0.138 1.00 0.00 C ATOM 159 CD1 ILE A 10 0.216 8.705 -1.724 1.00 0.00 C ATOM 0 H ILE A 10 -2.207 7.443 0.953 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.716 6.334 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 10 0.076 7.400 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.035 9.039 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.655 9.423 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.345 7.540 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.772 5.859 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.793 6.681 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.050 9.707 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.241 8.398 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.475 8.008 -2.197 1.00 0.00 H new ATOM 170 N ILE A 11 -0.678 4.686 1.616 1.00 0.00 N ATOM 171 CA ILE A 11 -0.473 3.369 2.193 1.00 0.00 C ATOM 172 C ILE A 11 -1.462 2.384 1.568 1.00 0.00 C ATOM 173 O ILE A 11 -1.273 1.171 1.652 1.00 0.00 O ATOM 174 CB ILE A 11 -0.552 3.435 3.720 1.00 0.00 C ATOM 175 CG1 ILE A 11 0.788 3.865 4.320 1.00 0.00 C ATOM 176 CG2 ILE A 11 -1.043 2.109 4.301 1.00 0.00 C ATOM 177 CD1 ILE A 11 1.237 5.212 3.752 1.00 0.00 C ATOM 0 H ILE A 11 -0.893 5.419 2.292 1.00 0.00 H new ATOM 0 HA ILE A 11 0.528 3.004 1.964 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.284 4.195 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.699 3.935 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.544 3.108 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.090 2.183 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.035 1.885 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.354 1.312 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.192 5.494 4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.349 5.132 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.491 5.972 3.984 1.00 0.00 H new ATOM 188 N GLN A 12 -2.497 2.941 0.957 1.00 0.00 N ATOM 189 CA GLN A 12 -3.516 2.126 0.317 1.00 0.00 C ATOM 190 C GLN A 12 -2.938 1.418 -0.910 1.00 0.00 C ATOM 191 O GLN A 12 -2.991 0.193 -1.006 1.00 0.00 O ATOM 192 CB GLN A 12 -4.736 2.970 -0.060 1.00 0.00 C ATOM 193 CG GLN A 12 -5.935 2.626 0.825 1.00 0.00 C ATOM 194 CD GLN A 12 -7.201 3.329 0.331 1.00 0.00 C ATOM 195 OE1 GLN A 12 -7.676 4.291 0.912 1.00 0.00 O ATOM 196 NE2 GLN A 12 -7.720 2.798 -0.773 1.00 0.00 N ATOM 0 H GLN A 12 -2.652 3.947 0.891 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.845 1.367 1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.496 4.028 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.991 2.800 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.092 1.547 0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.729 2.921 1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.273 1.992 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.565 3.197 -1.182 1.00 0.00 H new ATOM 203 N VAL A 13 -2.400 2.220 -1.817 1.00 0.00 N ATOM 204 CA VAL A 13 -1.812 1.686 -3.033 1.00 0.00 C ATOM 205 C VAL A 13 -0.722 0.678 -2.668 1.00 0.00 C ATOM 206 O VAL A 13 -0.874 -0.520 -2.903 1.00 0.00 O ATOM 207 CB VAL A 13 -1.301 2.828 -3.913 1.00 0.00 C ATOM 208 CG1 VAL A 13 -0.639 2.289 -5.183 1.00 0.00 C ATOM 209 CG2 VAL A 13 -2.427 3.805 -4.254 1.00 0.00 C ATOM 0 H VAL A 13 -2.359 3.236 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.562 1.154 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.545 3.373 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.285 3.122 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.204 1.653 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.364 1.707 -5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.036 4.607 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.216 3.278 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.833 4.228 -3.335 1.00 0.00 H new ATOM 219 N VAL A 14 0.355 1.199 -2.099 1.00 0.00 N ATOM 220 CA VAL A 14 1.471 0.360 -1.698 1.00 0.00 C ATOM 221 C VAL A 14 0.938 -0.978 -1.182 1.00 0.00 C ATOM 222 O VAL A 14 1.174 -2.020 -1.792 1.00 0.00 O ATOM 223 CB VAL A 14 2.337 1.094 -0.672 1.00 0.00 C ATOM 224 CG1 VAL A 14 3.684 1.493 -1.277 1.00 0.00 C ATOM 225 CG2 VAL A 14 1.605 2.315 -0.110 1.00 0.00 C ATOM 0 H VAL A 14 0.478 2.193 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 14 2.114 0.147 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 14 2.530 0.410 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.280 2.013 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.214 0.599 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.519 2.152 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.242 2.819 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.367 3.002 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.683 1.995 0.376 1.00 0.00 H new ATOM 235 N ILE A 15 0.230 -0.905 -0.065 1.00 0.00 N ATOM 236 CA ILE A 15 -0.338 -2.098 0.541 1.00 0.00 C ATOM 237 C ILE A 15 -1.131 -2.871 -0.515 1.00 0.00 C ATOM 238 O ILE A 15 -1.035 -4.094 -0.596 1.00 0.00 O ATOM 239 CB ILE A 15 -1.157 -1.732 1.780 1.00 0.00 C ATOM 240 CG1 ILE A 15 -0.254 -1.209 2.899 1.00 0.00 C ATOM 241 CG2 ILE A 15 -2.015 -2.912 2.238 1.00 0.00 C ATOM 242 CD1 ILE A 15 -0.987 -1.214 4.242 1.00 0.00 C ATOM 0 H ILE A 15 0.036 -0.038 0.437 1.00 0.00 H new ATOM 0 HA ILE A 15 0.453 -2.760 0.895 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.838 -0.924 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.642 -1.827 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.074 -0.197 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.587 -2.625 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.699 -3.196 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.371 -3.757 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.323 -0.838 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.869 -0.576 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.292 -2.232 4.486 1.00 0.00 H new ATOM 253 N SER A 16 -1.898 -2.125 -1.298 1.00 0.00 N ATOM 254 CA SER A 16 -2.707 -2.725 -2.344 1.00 0.00 C ATOM 255 C SER A 16 -1.805 -3.388 -3.387 1.00 0.00 C ATOM 256 O SER A 16 -2.245 -4.271 -4.122 1.00 0.00 O ATOM 257 CB SER A 16 -3.610 -1.684 -3.008 1.00 0.00 C ATOM 258 OG SER A 16 -4.490 -2.270 -3.962 1.00 0.00 O ATOM 0 H SER A 16 -1.976 -1.110 -1.228 1.00 0.00 H new ATOM 0 HA SER A 16 -3.346 -3.483 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.194 -1.171 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.994 -0.930 -3.498 1.00 0.00 H new ATOM 0 HG SER A 16 -5.050 -1.572 -4.362 1.00 0.00 H new ATOM 263 N TYR A 17 -0.561 -2.937 -3.420 1.00 0.00 N ATOM 264 CA TYR A 17 0.407 -3.474 -4.361 1.00 0.00 C ATOM 265 C TYR A 17 1.298 -4.523 -3.692 1.00 0.00 C ATOM 266 O TYR A 17 1.891 -5.362 -4.369 1.00 0.00 O ATOM 267 CB TYR A 17 1.272 -2.291 -4.800 1.00 0.00 C ATOM 268 CG TYR A 17 2.483 -2.687 -5.647 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.525 -3.388 -5.077 1.00 0.00 C ATOM 270 CD2 TYR A 17 2.532 -2.341 -6.983 1.00 0.00 C ATOM 271 CE1 TYR A 17 4.665 -3.759 -5.874 1.00 0.00 C ATOM 272 CE2 TYR A 17 3.672 -2.713 -7.780 1.00 0.00 C ATOM 273 CZ TYR A 17 4.682 -3.404 -7.187 1.00 0.00 C ATOM 274 OH TYR A 17 5.759 -3.755 -7.939 1.00 0.00 O ATOM 0 H TYR A 17 -0.200 -2.204 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.098 -3.954 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.656 -1.595 -5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.619 -1.759 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.486 -3.659 -4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.716 -1.792 -7.430 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.488 -4.307 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.724 -2.449 -8.826 1.00 0.00 H new ATOM 0 HH TYR A 17 5.634 -3.437 -8.858 1.00 0.00 H new ATOM 283 N PHE A 18 1.367 -4.438 -2.372 1.00 0.00 N ATOM 284 CA PHE A 18 2.177 -5.369 -1.603 1.00 0.00 C ATOM 285 C PHE A 18 1.390 -6.638 -1.275 1.00 0.00 C ATOM 286 O PHE A 18 1.851 -7.746 -1.545 1.00 0.00 O ATOM 287 CB PHE A 18 2.552 -4.664 -0.298 1.00 0.00 C ATOM 288 CG PHE A 18 3.794 -3.776 -0.405 1.00 0.00 C ATOM 289 CD1 PHE A 18 3.930 -2.921 -1.454 1.00 0.00 C ATOM 290 CD2 PHE A 18 4.761 -3.843 0.548 1.00 0.00 C ATOM 291 CE1 PHE A 18 5.083 -2.098 -1.552 1.00 0.00 C ATOM 292 CE2 PHE A 18 5.914 -3.020 0.449 1.00 0.00 C ATOM 293 CZ PHE A 18 6.050 -2.164 -0.599 1.00 0.00 C ATOM 0 H PHE A 18 0.876 -3.739 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 18 3.058 -5.658 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.709 -4.055 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.720 -5.415 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.162 -2.868 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.652 -4.522 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.192 -1.419 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.683 -3.074 1.206 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.926 -1.537 -0.674 1.00 0.00 H new ATOM 302 N LEU A 19 0.215 -6.436 -0.696 1.00 0.00 N ATOM 303 CA LEU A 19 -0.640 -7.550 -0.328 1.00 0.00 C ATOM 304 C LEU A 19 -0.729 -8.529 -1.501 1.00 0.00 C ATOM 305 O LEU A 19 -0.730 -9.742 -1.304 1.00 0.00 O ATOM 306 CB LEU A 19 -2.001 -7.045 0.156 1.00 0.00 C ATOM 307 CG LEU A 19 -2.565 -7.729 1.403 1.00 0.00 C ATOM 308 CD1 LEU A 19 -2.602 -9.249 1.226 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.787 -7.317 2.654 1.00 0.00 C ATOM 0 H LEU A 19 -0.164 -5.516 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.212 -8.097 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.919 -5.977 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.720 -7.163 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.594 -7.395 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.007 -9.710 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.233 -9.501 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.592 -9.620 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.208 -7.817 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.741 -7.602 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.856 -6.237 2.787 1.00 0.00 H new ATOM 320 N MET A 20 -0.804 -7.964 -2.697 1.00 0.00 N ATOM 321 CA MET A 20 -0.893 -8.770 -3.903 1.00 0.00 C ATOM 322 C MET A 20 0.278 -9.749 -3.995 1.00 0.00 C ATOM 323 O MET A 20 0.229 -10.711 -4.760 1.00 0.00 O ATOM 324 CB MET A 20 -0.893 -7.856 -5.130 1.00 0.00 C ATOM 325 CG MET A 20 -0.937 -8.674 -6.422 1.00 0.00 C ATOM 326 SD MET A 20 -1.053 -7.583 -7.831 1.00 0.00 S ATOM 327 CE MET A 20 -2.763 -7.838 -8.279 1.00 0.00 C ATOM 0 H MET A 20 -0.805 -6.957 -2.857 1.00 0.00 H new ATOM 0 HA MET A 20 -1.819 -9.343 -3.867 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.752 -7.187 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.001 -7.230 -5.122 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.042 -9.291 -6.502 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.791 -9.351 -6.405 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.006 -7.227 -9.148 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.924 -8.889 -8.518 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.404 -7.554 -7.445 1.00 0.00 H new ATOM 335 N LEU A 21 1.304 -9.471 -3.205 1.00 0.00 N ATOM 336 CA LEU A 21 2.487 -10.315 -3.188 1.00 0.00 C ATOM 337 C LEU A 21 2.579 -11.030 -1.839 1.00 0.00 C ATOM 338 O LEU A 21 3.165 -12.107 -1.741 1.00 0.00 O ATOM 339 CB LEU A 21 3.733 -9.499 -3.538 1.00 0.00 C ATOM 340 CG LEU A 21 4.534 -8.957 -2.352 1.00 0.00 C ATOM 341 CD1 LEU A 21 5.483 -10.022 -1.799 1.00 0.00 C ATOM 342 CD2 LEU A 21 5.274 -7.673 -2.731 1.00 0.00 C ATOM 0 H LEU A 21 1.341 -8.673 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 21 2.415 -11.087 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.393 -10.121 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.429 -8.658 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 21 3.835 -8.703 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.040 -9.611 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.907 -10.885 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.179 -10.330 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.835 -7.309 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.961 -7.878 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.554 -6.916 -3.041 1.00 0.00 H new ATOM 353 N ILE A 22 1.990 -10.403 -0.831 1.00 0.00 N ATOM 354 CA ILE A 22 1.997 -10.965 0.509 1.00 0.00 C ATOM 355 C ILE A 22 1.181 -12.259 0.518 1.00 0.00 C ATOM 356 O ILE A 22 1.704 -13.326 0.836 1.00 0.00 O ATOM 357 CB ILE A 22 1.521 -9.929 1.527 1.00 0.00 C ATOM 358 CG1 ILE A 22 2.249 -8.597 1.337 1.00 0.00 C ATOM 359 CG2 ILE A 22 1.661 -10.460 2.956 1.00 0.00 C ATOM 360 CD1 ILE A 22 3.401 -8.455 2.333 1.00 0.00 C ATOM 0 H ILE A 22 1.504 -9.510 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 22 3.012 -11.226 0.808 1.00 0.00 H new ATOM 0 HB ILE A 22 0.461 -9.743 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.633 -8.530 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.547 -7.773 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.316 -9.704 3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.061 -11.363 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.707 -10.692 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.902 -7.500 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.010 -8.498 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.113 -9.267 2.184 1.00 0.00 H new ATOM 371 N PHE A 23 -0.089 -12.122 0.166 1.00 0.00 N ATOM 372 CA PHE A 23 -0.984 -13.266 0.130 1.00 0.00 C ATOM 373 C PHE A 23 -0.819 -14.051 -1.173 1.00 0.00 C ATOM 374 O PHE A 23 -1.675 -14.859 -1.528 1.00 0.00 O ATOM 375 CB PHE A 23 -2.411 -12.721 0.207 1.00 0.00 C ATOM 376 CG PHE A 23 -3.465 -13.782 0.527 1.00 0.00 C ATOM 377 CD1 PHE A 23 -3.099 -15.083 0.678 1.00 0.00 C ATOM 378 CD2 PHE A 23 -4.771 -13.425 0.660 1.00 0.00 C ATOM 379 CE1 PHE A 23 -4.077 -16.068 0.975 1.00 0.00 C ATOM 380 CE2 PHE A 23 -5.750 -14.410 0.956 1.00 0.00 C ATOM 381 CZ PHE A 23 -5.382 -15.711 1.107 1.00 0.00 C ATOM 0 H PHE A 23 -0.520 -11.236 -0.097 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.761 -13.939 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.451 -11.942 0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.661 -12.250 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.063 -15.367 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.063 -12.392 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.784 -17.101 1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.787 -14.126 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.127 -16.460 1.332 1.00 0.00 H new ATOM 390 N MET A 24 0.287 -13.783 -1.851 1.00 0.00 N ATOM 391 CA MET A 24 0.575 -14.453 -3.108 1.00 0.00 C ATOM 392 C MET A 24 1.955 -15.113 -3.075 1.00 0.00 C ATOM 393 O MET A 24 2.065 -16.336 -3.144 1.00 0.00 O ATOM 394 CB MET A 24 0.521 -13.438 -4.252 1.00 0.00 C ATOM 395 CG MET A 24 -0.924 -13.049 -4.572 1.00 0.00 C ATOM 396 SD MET A 24 -1.081 -12.659 -6.307 1.00 0.00 S ATOM 397 CE MET A 24 -2.554 -11.651 -6.265 1.00 0.00 C ATOM 0 H MET A 24 0.995 -13.111 -1.554 1.00 0.00 H new ATOM 0 HA MET A 24 -0.174 -15.229 -3.264 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.089 -12.548 -3.981 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.993 -13.859 -5.140 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.596 -13.867 -4.313 1.00 0.00 H new ATOM 0 HG3 MET A 24 -1.220 -12.190 -3.969 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.649 -11.107 -7.205 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.427 -12.288 -6.124 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.486 -10.942 -5.440 1.00 0.00 H new ATOM 405 N THR A 25 2.974 -14.273 -2.969 1.00 0.00 N ATOM 406 CA THR A 25 4.343 -14.759 -2.926 1.00 0.00 C ATOM 407 C THR A 25 4.491 -15.839 -1.853 1.00 0.00 C ATOM 408 O THR A 25 5.312 -16.745 -1.989 1.00 0.00 O ATOM 409 CB THR A 25 5.265 -13.556 -2.709 1.00 0.00 C ATOM 410 OG1 THR A 25 4.946 -12.677 -3.783 1.00 0.00 O ATOM 411 CG2 THR A 25 6.739 -13.901 -2.934 1.00 0.00 C ATOM 0 H THR A 25 2.879 -13.259 -2.912 1.00 0.00 H new ATOM 0 HA THR A 25 4.623 -15.237 -3.865 1.00 0.00 H new ATOM 0 HB THR A 25 5.132 -13.174 -1.697 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.681 -12.043 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.350 -13.014 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.040 -14.684 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.879 -14.251 -3.957 1.00 0.00 H new ATOM 419 N TYR A 26 3.685 -15.708 -0.810 1.00 0.00 N ATOM 420 CA TYR A 26 3.716 -16.662 0.285 1.00 0.00 C ATOM 421 C TYR A 26 2.884 -17.903 -0.045 1.00 0.00 C ATOM 422 O TYR A 26 2.656 -18.750 0.818 1.00 0.00 O ATOM 423 CB TYR A 26 3.091 -15.948 1.484 1.00 0.00 C ATOM 424 CG TYR A 26 4.011 -14.919 2.146 1.00 0.00 C ATOM 425 CD1 TYR A 26 5.120 -14.451 1.471 1.00 0.00 C ATOM 426 CD2 TYR A 26 3.733 -14.461 3.417 1.00 0.00 C ATOM 427 CE1 TYR A 26 5.987 -13.484 2.093 1.00 0.00 C ATOM 428 CE2 TYR A 26 4.599 -13.493 4.040 1.00 0.00 C ATOM 429 CZ TYR A 26 5.683 -13.052 3.347 1.00 0.00 C ATOM 430 OH TYR A 26 6.501 -12.139 3.934 1.00 0.00 O ATOM 0 H TYR A 26 3.006 -14.955 -0.700 1.00 0.00 H new ATOM 0 HA TYR A 26 4.737 -16.990 0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.178 -15.448 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.802 -16.692 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.338 -14.810 0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.866 -14.828 3.945 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.858 -13.110 1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.392 -13.126 5.034 1.00 0.00 H new ATOM 0 HH TYR A 26 6.161 -11.921 4.827 1.00 0.00 H new ATOM 439 N ASN A 27 2.453 -17.972 -1.296 1.00 0.00 N ATOM 440 CA ASN A 27 1.651 -19.095 -1.751 1.00 0.00 C ATOM 441 C ASN A 27 2.408 -20.398 -1.481 1.00 0.00 C ATOM 442 O ASN A 27 1.806 -21.403 -1.109 1.00 0.00 O ATOM 443 CB ASN A 27 1.381 -19.006 -3.254 1.00 0.00 C ATOM 444 CG ASN A 27 2.683 -18.808 -4.033 1.00 0.00 C ATOM 445 OD1 ASN A 27 3.651 -18.252 -3.544 1.00 0.00 O ATOM 446 ND2 ASN A 27 2.651 -19.293 -5.272 1.00 0.00 N ATOM 0 H ASN A 27 2.644 -17.268 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 27 0.703 -19.073 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.885 -19.916 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.702 -18.178 -3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.471 -19.210 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.807 -19.748 -5.620 1.00 0.00 H new ATOM 452 N LYS A 28 3.716 -20.337 -1.681 1.00 0.00 N ATOM 453 CA LYS A 28 4.560 -21.499 -1.466 1.00 0.00 C ATOM 454 C LYS A 28 4.334 -22.034 -0.049 1.00 0.00 C ATOM 455 O LYS A 28 3.821 -23.138 0.126 1.00 0.00 O ATOM 456 CB LYS A 28 6.022 -21.164 -1.769 1.00 0.00 C ATOM 457 CG LYS A 28 6.413 -21.635 -3.171 1.00 0.00 C ATOM 458 CD LYS A 28 7.891 -22.025 -3.226 1.00 0.00 C ATOM 459 CE LYS A 28 8.074 -23.390 -3.891 1.00 0.00 C ATOM 460 NZ LYS A 28 9.413 -23.490 -4.512 1.00 0.00 N ATOM 0 H LYS A 28 4.212 -19.501 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 28 4.290 -22.298 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.177 -20.088 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.668 -21.637 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.797 -22.488 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.215 -20.843 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.450 -21.270 -3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.302 -22.050 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.950 -24.181 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.304 -23.538 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.520 -24.423 -4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.518 -22.747 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.144 -23.370 -3.782 1.00 0.00 H new ATOM 470 N LYS A 29 4.726 -21.225 0.924 1.00 0.00 N ATOM 471 CA LYS A 29 4.572 -21.601 2.318 1.00 0.00 C ATOM 472 C LYS A 29 5.440 -22.828 2.610 1.00 0.00 C ATOM 473 O LYS A 29 5.350 -23.414 3.687 1.00 0.00 O ATOM 474 CB LYS A 29 3.094 -21.801 2.659 1.00 0.00 C ATOM 475 CG LYS A 29 2.618 -20.754 3.669 1.00 0.00 C ATOM 476 CD LYS A 29 3.213 -21.018 5.054 1.00 0.00 C ATOM 477 CE LYS A 29 2.158 -21.589 6.003 1.00 0.00 C ATOM 478 NZ LYS A 29 1.893 -20.645 7.112 1.00 0.00 N ATOM 0 H LYS A 29 5.150 -20.310 0.774 1.00 0.00 H new ATOM 0 HA LYS A 29 4.921 -20.799 2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.495 -21.734 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.943 -22.800 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.905 -19.759 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.530 -20.769 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.047 -21.715 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.613 -20.091 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.236 -21.784 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.499 -22.543 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.175 -21.048 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.771 -20.479 7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.547 -19.744 6.725 1.00 0.00 H new TER 488 LYS A 29