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 2 HIS : no HD1:sc= -3.76! C(o=-3.6!,f=-2.8!) USER MOD Set 1.2: A 5 GLN : amide:sc= 0.162 K(o=-3.6,f=-6!) USER MOD Single : A 1 LYS N :NH3+ -110:sc= 0.0963 (180deg=-0.2) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0218 X(o=-0.022,f=0.034) USER MOD Single : A 16 SER OG : rot 82:sc= 0.53 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 163:sc= -0.117 (180deg=-0.382) USER MOD Single : A 25 THR OG1 : rot -90:sc= -1.74 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.53! K(o=-3.5!,f=-0.93) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0184) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.968 20.409 7.472 1.00 0.00 N ATOM 2 CA LYS A 1 -3.759 19.456 8.231 1.00 0.00 C ATOM 3 C LYS A 1 -4.363 18.425 7.275 1.00 0.00 C ATOM 4 O LYS A 1 -4.405 18.645 6.066 1.00 0.00 O ATOM 5 CB LYS A 1 -4.799 20.183 9.087 1.00 0.00 C ATOM 6 CG LYS A 1 -5.917 20.762 8.218 1.00 0.00 C ATOM 7 CD LYS A 1 -7.250 20.764 8.970 1.00 0.00 C ATOM 8 CE LYS A 1 -7.464 22.091 9.701 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.812 22.630 9.411 1.00 0.00 N ATOM 0 H1 LYS A 1 -1.959 20.266 7.679 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.136 20.268 6.455 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.242 21.377 7.737 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.127 18.911 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.222 19.492 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.318 20.984 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.662 21.779 7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.012 20.177 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.067 20.595 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.269 19.943 9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.348 21.945 10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.704 22.809 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.941 23.531 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.910 22.788 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.533 21.950 9.727 1.00 0.00 H new ATOM 19 N HIS A 2 -4.815 17.323 7.854 1.00 0.00 N ATOM 20 CA HIS A 2 -5.414 16.257 7.068 1.00 0.00 C ATOM 21 C HIS A 2 -4.319 15.485 6.330 1.00 0.00 C ATOM 22 O HIS A 2 -4.583 14.846 5.313 1.00 0.00 O ATOM 23 CB HIS A 2 -6.486 16.812 6.127 1.00 0.00 C ATOM 24 CG HIS A 2 -7.884 16.337 6.440 1.00 0.00 C ATOM 25 ND1 HIS A 2 -9.014 16.913 5.886 1.00 0.00 N ATOM 26 CD2 HIS A 2 -8.323 15.335 7.255 1.00 0.00 C ATOM 27 CE1 HIS A 2 -10.079 16.280 6.352 1.00 0.00 C ATOM 28 NE2 HIS A 2 -9.649 15.302 7.201 1.00 0.00 N ATOM 0 H HIS A 2 -4.779 17.145 8.858 1.00 0.00 H new ATOM 0 HA HIS A 2 -5.922 15.555 7.729 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -6.465 17.901 6.171 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -6.238 16.530 5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -7.698 14.680 7.844 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -11.107 16.499 6.104 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -10.248 14.652 7.710 1.00 0.00 H new ATOM 36 N LEU A 3 -3.113 15.570 6.871 1.00 0.00 N ATOM 37 CA LEU A 3 -1.976 14.888 6.277 1.00 0.00 C ATOM 38 C LEU A 3 -2.363 13.442 5.960 1.00 0.00 C ATOM 39 O LEU A 3 -2.595 13.097 4.801 1.00 0.00 O ATOM 40 CB LEU A 3 -0.745 15.012 7.177 1.00 0.00 C ATOM 41 CG LEU A 3 -0.551 16.364 7.865 1.00 0.00 C ATOM 42 CD1 LEU A 3 -1.056 17.506 6.981 1.00 0.00 C ATOM 43 CD2 LEU A 3 -1.207 16.375 9.247 1.00 0.00 C ATOM 0 H LEU A 3 -2.898 16.101 7.715 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.700 15.359 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.802 14.241 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.141 14.801 6.578 1.00 0.00 H new ATOM 0 HG LEU A 3 0.517 16.521 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.906 18.456 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.504 17.510 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.118 17.367 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.054 17.348 9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.275 16.186 9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.759 15.599 9.868 1.00 0.00 H new ATOM 54 N LEU A 4 -2.421 12.636 7.009 1.00 0.00 N ATOM 55 CA LEU A 4 -2.776 11.234 6.856 1.00 0.00 C ATOM 56 C LEU A 4 -3.907 11.108 5.834 1.00 0.00 C ATOM 57 O LEU A 4 -3.883 10.220 4.983 1.00 0.00 O ATOM 58 CB LEU A 4 -3.104 10.614 8.216 1.00 0.00 C ATOM 59 CG LEU A 4 -2.111 10.906 9.343 1.00 0.00 C ATOM 60 CD1 LEU A 4 -2.157 9.812 10.412 1.00 0.00 C ATOM 61 CD2 LEU A 4 -0.699 11.110 8.791 1.00 0.00 C ATOM 0 H LEU A 4 -2.229 12.926 7.968 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.930 10.666 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.088 10.966 8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.176 9.533 8.093 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.406 11.838 9.824 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.442 10.044 11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.160 9.759 10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.902 8.853 9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.013 11.316 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.379 10.209 8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.697 11.951 8.098 1.00 0.00 H new ATOM 72 N GLN A 5 -4.873 12.008 5.952 1.00 0.00 N ATOM 73 CA GLN A 5 -6.010 12.008 5.049 1.00 0.00 C ATOM 74 C GLN A 5 -5.573 11.586 3.644 1.00 0.00 C ATOM 75 O GLN A 5 -6.337 10.953 2.917 1.00 0.00 O ATOM 76 CB GLN A 5 -6.690 13.379 5.022 1.00 0.00 C ATOM 77 CG GLN A 5 -8.199 13.240 4.818 1.00 0.00 C ATOM 78 CD GLN A 5 -8.653 13.982 3.559 1.00 0.00 C ATOM 79 OE1 GLN A 5 -9.335 14.993 3.616 1.00 0.00 O ATOM 80 NE2 GLN A 5 -8.238 13.427 2.424 1.00 0.00 N ATOM 0 H GLN A 5 -4.891 12.742 6.660 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.739 11.284 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.493 13.905 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.265 13.983 4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.463 12.186 4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.725 13.635 5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.670 12.580 2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.488 13.848 1.529 1.00 0.00 H new ATOM 87 N THR A 6 -4.346 11.952 3.306 1.00 0.00 N ATOM 88 CA THR A 6 -3.798 11.618 2.002 1.00 0.00 C ATOM 89 C THR A 6 -2.923 10.368 2.095 1.00 0.00 C ATOM 90 O THR A 6 -3.060 9.448 1.289 1.00 0.00 O ATOM 91 CB THR A 6 -3.051 12.846 1.475 1.00 0.00 C ATOM 92 OG1 THR A 6 -3.038 12.664 0.062 1.00 0.00 O ATOM 93 CG2 THR A 6 -1.571 12.841 1.865 1.00 0.00 C ATOM 0 H THR A 6 -3.715 12.477 3.912 1.00 0.00 H new ATOM 0 HA THR A 6 -4.588 11.370 1.293 1.00 0.00 H new ATOM 0 HB THR A 6 -3.524 13.751 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.574 13.417 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.087 13.733 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.481 12.833 2.951 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.090 11.953 1.455 1.00 0.00 H new ATOM 101 N VAL A 7 -2.044 10.371 3.086 1.00 0.00 N ATOM 102 CA VAL A 7 -1.146 9.248 3.295 1.00 0.00 C ATOM 103 C VAL A 7 -1.951 7.948 3.280 1.00 0.00 C ATOM 104 O VAL A 7 -1.508 6.945 2.724 1.00 0.00 O ATOM 105 CB VAL A 7 -0.353 9.446 4.588 1.00 0.00 C ATOM 106 CG1 VAL A 7 0.797 8.442 4.685 1.00 0.00 C ATOM 107 CG2 VAL A 7 0.162 10.882 4.703 1.00 0.00 C ATOM 0 H VAL A 7 -1.934 11.134 3.754 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.416 9.187 2.488 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.028 9.265 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.345 8.605 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.397 7.428 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.470 8.577 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.722 10.994 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.813 11.104 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.682 11.572 4.702 1.00 0.00 H new ATOM 117 N LEU A 8 -3.122 8.007 3.898 1.00 0.00 N ATOM 118 CA LEU A 8 -3.994 6.847 3.963 1.00 0.00 C ATOM 119 C LEU A 8 -4.147 6.250 2.562 1.00 0.00 C ATOM 120 O LEU A 8 -3.974 5.047 2.373 1.00 0.00 O ATOM 121 CB LEU A 8 -5.324 7.212 4.625 1.00 0.00 C ATOM 122 CG LEU A 8 -5.228 7.907 5.984 1.00 0.00 C ATOM 123 CD1 LEU A 8 -6.260 9.030 6.099 1.00 0.00 C ATOM 124 CD2 LEU A 8 -5.350 6.898 7.127 1.00 0.00 C ATOM 0 H LEU A 8 -3.487 8.841 4.358 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.553 6.074 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.879 7.860 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.909 6.300 4.746 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.242 8.365 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.171 9.508 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.084 9.768 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.262 8.616 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.278 7.419 8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.312 6.390 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.547 6.165 7.053 1.00 0.00 H new ATOM 135 N HIS A 9 -4.470 7.120 1.616 1.00 0.00 N ATOM 136 CA HIS A 9 -4.649 6.694 0.238 1.00 0.00 C ATOM 137 C HIS A 9 -3.327 6.146 -0.305 1.00 0.00 C ATOM 138 O HIS A 9 -3.319 5.189 -1.078 1.00 0.00 O ATOM 139 CB HIS A 9 -5.212 7.833 -0.613 1.00 0.00 C ATOM 140 CG HIS A 9 -6.625 7.599 -1.094 1.00 0.00 C ATOM 141 ND1 HIS A 9 -7.718 7.618 -0.246 1.00 0.00 N ATOM 142 CD2 HIS A 9 -7.110 7.343 -2.343 1.00 0.00 C ATOM 143 CE1 HIS A 9 -8.807 7.381 -0.963 1.00 0.00 C ATOM 144 NE2 HIS A 9 -8.428 7.210 -2.262 1.00 0.00 N ATOM 0 H HIS A 9 -4.612 8.117 1.776 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.382 5.888 0.194 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.185 8.755 -0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.565 7.982 -1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.521 7.262 -3.245 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.817 7.332 -0.585 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.054 7.012 -3.043 1.00 0.00 H new ATOM 152 N ILE A 10 -2.243 6.776 0.120 1.00 0.00 N ATOM 153 CA ILE A 10 -0.919 6.364 -0.313 1.00 0.00 C ATOM 154 C ILE A 10 -0.646 4.940 0.176 1.00 0.00 C ATOM 155 O ILE A 10 -0.434 4.033 -0.628 1.00 0.00 O ATOM 156 CB ILE A 10 0.133 7.380 0.136 1.00 0.00 C ATOM 157 CG1 ILE A 10 -0.107 8.743 -0.516 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.548 6.859 -0.129 1.00 0.00 C ATOM 159 CD1 ILE A 10 -0.288 8.603 -2.028 1.00 0.00 C ATOM 0 H ILE A 10 -2.254 7.570 0.760 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.865 6.344 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 10 0.037 7.517 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.992 9.207 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.734 9.404 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.276 7.601 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.703 5.930 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.674 6.675 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.457 9.586 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.609 8.161 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.145 7.962 -2.234 1.00 0.00 H new ATOM 170 N ILE A 11 -0.663 4.788 1.491 1.00 0.00 N ATOM 171 CA ILE A 11 -0.421 3.489 2.097 1.00 0.00 C ATOM 172 C ILE A 11 -1.414 2.473 1.529 1.00 0.00 C ATOM 173 O ILE A 11 -1.190 1.266 1.613 1.00 0.00 O ATOM 174 CB ILE A 11 -0.455 3.595 3.624 1.00 0.00 C ATOM 175 CG1 ILE A 11 0.900 4.047 4.172 1.00 0.00 C ATOM 176 CG2 ILE A 11 -0.918 2.280 4.254 1.00 0.00 C ATOM 177 CD1 ILE A 11 1.321 5.384 3.558 1.00 0.00 C ATOM 0 H ILE A 11 -0.840 5.542 2.155 1.00 0.00 H new ATOM 0 HA ILE A 11 0.578 3.133 1.847 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.184 4.358 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.844 4.142 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.654 3.290 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.933 2.382 5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.920 2.039 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.231 1.481 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.287 5.683 3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.399 5.279 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.577 6.144 3.796 1.00 0.00 H new ATOM 188 N GLN A 12 -2.491 2.998 0.964 1.00 0.00 N ATOM 189 CA GLN A 12 -3.519 2.152 0.381 1.00 0.00 C ATOM 190 C GLN A 12 -2.987 1.458 -0.874 1.00 0.00 C ATOM 191 O GLN A 12 -3.061 0.236 -0.990 1.00 0.00 O ATOM 192 CB GLN A 12 -4.781 2.959 0.071 1.00 0.00 C ATOM 193 CG GLN A 12 -6.033 2.229 0.560 1.00 0.00 C ATOM 194 CD GLN A 12 -7.119 3.222 0.979 1.00 0.00 C ATOM 195 OE1 GLN A 12 -6.906 4.109 1.789 1.00 0.00 O ATOM 196 NE2 GLN A 12 -8.292 3.025 0.382 1.00 0.00 N ATOM 0 H GLN A 12 -2.674 3.999 0.897 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.788 1.386 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.717 3.938 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.852 3.131 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.413 1.582 -0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.778 1.587 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.402 2.263 -0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.081 3.636 0.593 1.00 0.00 H new ATOM 203 N VAL A 13 -2.464 2.269 -1.782 1.00 0.00 N ATOM 204 CA VAL A 13 -1.920 1.747 -3.025 1.00 0.00 C ATOM 205 C VAL A 13 -0.785 0.770 -2.710 1.00 0.00 C ATOM 206 O VAL A 13 -0.912 -0.430 -2.947 1.00 0.00 O ATOM 207 CB VAL A 13 -1.482 2.901 -3.929 1.00 0.00 C ATOM 208 CG1 VAL A 13 -0.823 2.378 -5.206 1.00 0.00 C ATOM 209 CG2 VAL A 13 -2.661 3.819 -4.257 1.00 0.00 C ATOM 0 H VAL A 13 -2.405 3.282 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.682 1.193 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.741 3.488 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.521 3.219 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.054 1.786 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.532 1.756 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.322 4.631 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.435 3.248 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.067 4.233 -3.334 1.00 0.00 H new ATOM 219 N VAL A 14 0.298 1.322 -2.182 1.00 0.00 N ATOM 220 CA VAL A 14 1.454 0.514 -1.832 1.00 0.00 C ATOM 221 C VAL A 14 0.982 -0.838 -1.291 1.00 0.00 C ATOM 222 O VAL A 14 1.226 -1.876 -1.905 1.00 0.00 O ATOM 223 CB VAL A 14 2.345 1.273 -0.847 1.00 0.00 C ATOM 224 CG1 VAL A 14 3.645 1.723 -1.518 1.00 0.00 C ATOM 225 CG2 VAL A 14 1.600 2.465 -0.241 1.00 0.00 C ATOM 0 H VAL A 14 0.399 2.318 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 14 2.062 0.317 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 14 2.605 0.592 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.260 2.260 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.189 0.850 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.413 2.380 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.255 2.988 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.297 3.147 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.716 2.110 0.289 1.00 0.00 H new ATOM 235 N ILE A 15 0.313 -0.781 -0.149 1.00 0.00 N ATOM 236 CA ILE A 15 -0.195 -1.988 0.481 1.00 0.00 C ATOM 237 C ILE A 15 -1.022 -2.778 -0.535 1.00 0.00 C ATOM 238 O ILE A 15 -0.914 -4.001 -0.610 1.00 0.00 O ATOM 239 CB ILE A 15 -0.959 -1.642 1.761 1.00 0.00 C ATOM 240 CG1 ILE A 15 -0.017 -1.075 2.826 1.00 0.00 C ATOM 241 CG2 ILE A 15 -1.742 -2.852 2.276 1.00 0.00 C ATOM 242 CD1 ILE A 15 -0.673 -1.100 4.207 1.00 0.00 C ATOM 0 H ILE A 15 0.111 0.082 0.356 1.00 0.00 H new ATOM 0 HA ILE A 15 0.628 -2.632 0.792 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.685 -0.864 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.905 -1.655 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.256 -0.052 2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.276 -2.579 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.457 -3.172 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.052 -3.668 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.017 -0.692 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.582 -0.499 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.923 -2.127 4.473 1.00 0.00 H new ATOM 253 N SER A 16 -1.829 -2.048 -1.289 1.00 0.00 N ATOM 254 CA SER A 16 -2.674 -2.665 -2.297 1.00 0.00 C ATOM 255 C SER A 16 -1.810 -3.300 -3.388 1.00 0.00 C ATOM 256 O SER A 16 -2.272 -4.171 -4.123 1.00 0.00 O ATOM 257 CB SER A 16 -3.638 -1.646 -2.908 1.00 0.00 C ATOM 258 OG SER A 16 -4.826 -1.504 -2.135 1.00 0.00 O ATOM 0 H SER A 16 -1.916 -1.034 -1.222 1.00 0.00 H new ATOM 0 HA SER A 16 -3.268 -3.442 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.140 -0.680 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.899 -1.956 -3.920 1.00 0.00 H new ATOM 0 HG SER A 16 -4.660 -0.890 -1.390 1.00 0.00 H new ATOM 263 N TYR A 17 -0.570 -2.837 -3.460 1.00 0.00 N ATOM 264 CA TYR A 17 0.364 -3.348 -4.449 1.00 0.00 C ATOM 265 C TYR A 17 1.315 -4.373 -3.828 1.00 0.00 C ATOM 266 O TYR A 17 1.889 -5.200 -4.534 1.00 0.00 O ATOM 267 CB TYR A 17 1.175 -2.141 -4.926 1.00 0.00 C ATOM 268 CG TYR A 17 2.355 -2.503 -5.830 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.442 -3.175 -5.309 1.00 0.00 C ATOM 270 CD2 TYR A 17 2.333 -2.157 -7.166 1.00 0.00 C ATOM 271 CE1 TYR A 17 4.553 -3.516 -6.160 1.00 0.00 C ATOM 272 CE2 TYR A 17 3.443 -2.498 -8.016 1.00 0.00 C ATOM 273 CZ TYR A 17 4.499 -3.160 -7.472 1.00 0.00 C ATOM 274 OH TYR A 17 5.548 -3.482 -8.275 1.00 0.00 O ATOM 0 H TYR A 17 -0.191 -2.113 -2.849 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.170 -3.841 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.514 -1.461 -5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.549 -1.601 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.460 -3.445 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.483 -1.630 -7.573 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.410 -4.042 -5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.438 -2.234 -9.063 1.00 0.00 H new ATOM 0 HH TYR A 17 5.371 -3.167 -9.186 1.00 0.00 H new ATOM 283 N PHE A 18 1.451 -4.285 -2.512 1.00 0.00 N ATOM 284 CA PHE A 18 2.323 -5.194 -1.788 1.00 0.00 C ATOM 285 C PHE A 18 1.600 -6.504 -1.464 1.00 0.00 C ATOM 286 O PHE A 18 2.105 -7.586 -1.760 1.00 0.00 O ATOM 287 CB PHE A 18 2.706 -4.499 -0.480 1.00 0.00 C ATOM 288 CG PHE A 18 3.849 -3.492 -0.623 1.00 0.00 C ATOM 289 CD1 PHE A 18 5.041 -3.884 -1.148 1.00 0.00 C ATOM 290 CD2 PHE A 18 3.673 -2.203 -0.226 1.00 0.00 C ATOM 291 CE1 PHE A 18 6.101 -2.949 -1.280 1.00 0.00 C ATOM 292 CE2 PHE A 18 4.732 -1.267 -0.359 1.00 0.00 C ATOM 293 CZ PHE A 18 5.924 -1.661 -0.884 1.00 0.00 C ATOM 0 H PHE A 18 0.972 -3.598 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 18 3.198 -5.433 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.830 -3.985 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.991 -5.255 0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.181 -4.907 -1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.727 -1.891 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.048 -3.261 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.592 -0.244 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.730 -0.950 -0.986 1.00 0.00 H new ATOM 302 N LEU A 19 0.430 -6.362 -0.859 1.00 0.00 N ATOM 303 CA LEU A 19 -0.367 -7.520 -0.491 1.00 0.00 C ATOM 304 C LEU A 19 -0.423 -8.491 -1.671 1.00 0.00 C ATOM 305 O LEU A 19 -0.218 -9.693 -1.502 1.00 0.00 O ATOM 306 CB LEU A 19 -1.745 -7.084 0.013 1.00 0.00 C ATOM 307 CG LEU A 19 -2.268 -7.815 1.251 1.00 0.00 C ATOM 308 CD1 LEU A 19 -2.088 -9.328 1.111 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.614 -7.275 2.524 1.00 0.00 C ATOM 0 H LEU A 19 0.015 -5.463 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 19 0.096 -8.053 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.708 -6.017 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.465 -7.218 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.338 -7.624 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.468 -9.824 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.638 -9.681 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.030 -9.559 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.003 -7.812 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.535 -7.415 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.837 -6.213 2.625 1.00 0.00 H new ATOM 320 N MET A 20 -0.703 -7.936 -2.841 1.00 0.00 N ATOM 321 CA MET A 20 -0.789 -8.738 -4.050 1.00 0.00 C ATOM 322 C MET A 20 0.422 -9.665 -4.179 1.00 0.00 C ATOM 323 O MET A 20 0.357 -10.685 -4.864 1.00 0.00 O ATOM 324 CB MET A 20 -0.859 -7.818 -5.269 1.00 0.00 C ATOM 325 CG MET A 20 -0.898 -8.629 -6.566 1.00 0.00 C ATOM 326 SD MET A 20 -0.722 -7.542 -7.972 1.00 0.00 S ATOM 327 CE MET A 20 0.979 -7.866 -8.403 1.00 0.00 C ATOM 0 H MET A 20 -0.873 -6.940 -2.978 1.00 0.00 H new ATOM 0 HA MET A 20 -1.689 -9.351 -3.994 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.746 -7.188 -5.203 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.005 -7.153 -5.277 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.098 -9.369 -6.566 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.838 -9.176 -6.634 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.256 -7.264 -9.269 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.623 -7.610 -7.562 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.099 -8.923 -8.643 1.00 0.00 H new ATOM 335 N LEU A 21 1.498 -9.277 -3.510 1.00 0.00 N ATOM 336 CA LEU A 21 2.721 -10.061 -3.542 1.00 0.00 C ATOM 337 C LEU A 21 2.798 -10.929 -2.284 1.00 0.00 C ATOM 338 O LEU A 21 3.199 -12.091 -2.351 1.00 0.00 O ATOM 339 CB LEU A 21 3.936 -9.151 -3.736 1.00 0.00 C ATOM 340 CG LEU A 21 4.820 -8.940 -2.505 1.00 0.00 C ATOM 341 CD1 LEU A 21 5.588 -10.218 -2.157 1.00 0.00 C ATOM 342 CD2 LEU A 21 5.755 -7.745 -2.699 1.00 0.00 C ATOM 0 H LEU A 21 1.548 -8.431 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 21 2.718 -10.737 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.552 -9.566 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.585 -8.177 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 21 4.175 -8.709 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.209 -10.042 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.882 -11.021 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.221 -10.502 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.372 -7.618 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.396 -7.921 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.164 -6.844 -2.863 1.00 0.00 H new ATOM 353 N ILE A 22 2.408 -10.333 -1.168 1.00 0.00 N ATOM 354 CA ILE A 22 2.428 -11.038 0.103 1.00 0.00 C ATOM 355 C ILE A 22 1.397 -12.168 0.070 1.00 0.00 C ATOM 356 O ILE A 22 1.739 -13.332 0.276 1.00 0.00 O ATOM 357 CB ILE A 22 2.231 -10.059 1.262 1.00 0.00 C ATOM 358 CG1 ILE A 22 2.941 -8.732 0.986 1.00 0.00 C ATOM 359 CG2 ILE A 22 2.674 -10.682 2.588 1.00 0.00 C ATOM 360 CD1 ILE A 22 3.280 -8.009 2.291 1.00 0.00 C ATOM 0 H ILE A 22 2.076 -9.370 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 22 3.402 -11.499 0.268 1.00 0.00 H new ATOM 0 HB ILE A 22 1.166 -9.842 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.854 -8.915 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.305 -8.097 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.523 -9.965 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.085 -11.578 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.730 -10.947 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.784 -7.069 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.363 -7.806 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.935 -8.636 2.895 1.00 0.00 H new ATOM 371 N PHE A 23 0.155 -11.786 -0.189 1.00 0.00 N ATOM 372 CA PHE A 23 -0.927 -12.753 -0.251 1.00 0.00 C ATOM 373 C PHE A 23 -0.494 -14.015 -1.001 1.00 0.00 C ATOM 374 O PHE A 23 -0.521 -15.112 -0.444 1.00 0.00 O ATOM 375 CB PHE A 23 -2.076 -12.090 -1.014 1.00 0.00 C ATOM 376 CG PHE A 23 -3.465 -12.572 -0.590 1.00 0.00 C ATOM 377 CD1 PHE A 23 -3.597 -13.725 0.119 1.00 0.00 C ATOM 378 CD2 PHE A 23 -4.567 -11.848 -0.923 1.00 0.00 C ATOM 379 CE1 PHE A 23 -4.886 -14.173 0.513 1.00 0.00 C ATOM 380 CE2 PHE A 23 -5.856 -12.297 -0.530 1.00 0.00 C ATOM 381 CZ PHE A 23 -5.989 -13.449 0.180 1.00 0.00 C ATOM 0 H PHE A 23 -0.126 -10.820 -0.358 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.222 -13.045 0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.018 -11.011 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.947 -12.278 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.722 -14.300 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.462 -10.932 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.991 -15.088 1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.731 -11.723 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.969 -13.789 0.479 1.00 0.00 H new ATOM 390 N MET A 24 -0.105 -13.816 -2.251 1.00 0.00 N ATOM 391 CA MET A 24 0.333 -14.925 -3.083 1.00 0.00 C ATOM 392 C MET A 24 1.442 -15.722 -2.394 1.00 0.00 C ATOM 393 O MET A 24 1.283 -16.913 -2.129 1.00 0.00 O ATOM 394 CB MET A 24 0.846 -14.387 -4.420 1.00 0.00 C ATOM 395 CG MET A 24 -0.205 -14.557 -5.519 1.00 0.00 C ATOM 396 SD MET A 24 -0.258 -16.259 -6.055 1.00 0.00 S ATOM 397 CE MET A 24 -1.902 -16.702 -5.516 1.00 0.00 C ATOM 0 H MET A 24 -0.084 -12.905 -2.708 1.00 0.00 H new ATOM 0 HA MET A 24 -0.516 -15.588 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.103 -13.333 -4.317 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.759 -14.912 -4.701 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.184 -14.253 -5.148 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.031 -13.909 -6.363 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.218 -17.614 -6.023 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.899 -16.869 -4.439 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.594 -15.895 -5.756 1.00 0.00 H new ATOM 405 N THR A 25 2.541 -15.033 -2.122 1.00 0.00 N ATOM 406 CA THR A 25 3.677 -15.663 -1.469 1.00 0.00 C ATOM 407 C THR A 25 3.221 -16.415 -0.216 1.00 0.00 C ATOM 408 O THR A 25 3.686 -17.522 0.050 1.00 0.00 O ATOM 409 CB THR A 25 4.717 -14.579 -1.182 1.00 0.00 C ATOM 410 OG1 THR A 25 3.966 -13.524 -0.587 1.00 0.00 O ATOM 411 CG2 THR A 25 5.283 -13.956 -2.460 1.00 0.00 C ATOM 0 H THR A 25 2.669 -14.045 -2.342 1.00 0.00 H new ATOM 0 HA THR A 25 4.137 -16.414 -2.111 1.00 0.00 H new ATOM 0 HB THR A 25 5.530 -15.005 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.639 -12.920 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.016 -13.193 -2.199 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.762 -14.729 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.474 -13.501 -3.032 1.00 0.00 H new ATOM 419 N TYR A 26 2.318 -15.782 0.519 1.00 0.00 N ATOM 420 CA TYR A 26 1.796 -16.379 1.737 1.00 0.00 C ATOM 421 C TYR A 26 0.695 -17.394 1.422 1.00 0.00 C ATOM 422 O TYR A 26 0.044 -17.910 2.328 1.00 0.00 O ATOM 423 CB TYR A 26 1.194 -15.227 2.544 1.00 0.00 C ATOM 424 CG TYR A 26 2.234 -14.334 3.226 1.00 0.00 C ATOM 425 CD1 TYR A 26 3.554 -14.385 2.826 1.00 0.00 C ATOM 426 CD2 TYR A 26 1.852 -13.479 4.239 1.00 0.00 C ATOM 427 CE1 TYR A 26 4.533 -13.545 3.467 1.00 0.00 C ATOM 428 CE2 TYR A 26 2.830 -12.640 4.880 1.00 0.00 C ATOM 429 CZ TYR A 26 4.122 -12.714 4.462 1.00 0.00 C ATOM 430 OH TYR A 26 5.047 -11.921 5.067 1.00 0.00 O ATOM 0 H TYR A 26 1.935 -14.863 0.295 1.00 0.00 H new ATOM 0 HA TYR A 26 2.585 -16.903 2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.582 -14.614 1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.529 -15.638 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.853 -15.054 2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.819 -13.439 4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.569 -13.574 3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.544 -11.967 5.675 1.00 0.00 H new ATOM 0 HH TYR A 26 4.612 -11.379 5.758 1.00 0.00 H new ATOM 439 N ASN A 27 0.523 -17.651 0.134 1.00 0.00 N ATOM 440 CA ASN A 27 -0.487 -18.596 -0.313 1.00 0.00 C ATOM 441 C ASN A 27 0.197 -19.789 -0.981 1.00 0.00 C ATOM 442 O ASN A 27 -0.074 -20.938 -0.636 1.00 0.00 O ATOM 443 CB ASN A 27 -1.427 -17.955 -1.335 1.00 0.00 C ATOM 444 CG ASN A 27 -2.633 -17.313 -0.647 1.00 0.00 C ATOM 445 OD1 ASN A 27 -3.770 -17.456 -1.066 1.00 0.00 O ATOM 446 ND2 ASN A 27 -2.323 -16.601 0.433 1.00 0.00 N ATOM 0 H ASN A 27 1.066 -17.221 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.063 -18.911 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.887 -17.201 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.768 -18.710 -2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.058 -16.134 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.350 -16.522 0.730 1.00 0.00 H new ATOM 452 N LYS A 28 1.072 -19.476 -1.927 1.00 0.00 N ATOM 453 CA LYS A 28 1.796 -20.509 -2.647 1.00 0.00 C ATOM 454 C LYS A 28 3.299 -20.305 -2.446 1.00 0.00 C ATOM 455 O LYS A 28 4.032 -20.071 -3.407 1.00 0.00 O ATOM 456 CB LYS A 28 1.371 -20.537 -4.116 1.00 0.00 C ATOM 457 CG LYS A 28 -0.067 -21.040 -4.261 1.00 0.00 C ATOM 458 CD LYS A 28 -0.783 -20.331 -5.412 1.00 0.00 C ATOM 459 CE LYS A 28 -0.938 -21.260 -6.618 1.00 0.00 C ATOM 460 NZ LYS A 28 0.386 -21.589 -7.192 1.00 0.00 N ATOM 0 H LYS A 28 1.295 -18.522 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 28 1.550 -21.494 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.455 -19.537 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.044 -21.182 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.064 -22.116 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.610 -20.871 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.765 -19.993 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.221 -19.443 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.448 -22.175 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.561 -20.783 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.259 -22.150 -8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.894 -20.710 -7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.937 -22.138 -6.502 1.00 0.00 H new ATOM 470 N LYS A 29 3.715 -20.401 -1.192 1.00 0.00 N ATOM 471 CA LYS A 29 5.117 -20.230 -0.853 1.00 0.00 C ATOM 472 C LYS A 29 5.700 -19.079 -1.676 1.00 0.00 C ATOM 473 O LYS A 29 5.718 -17.935 -1.226 1.00 0.00 O ATOM 474 CB LYS A 29 5.873 -21.549 -1.018 1.00 0.00 C ATOM 475 CG LYS A 29 6.041 -21.903 -2.497 1.00 0.00 C ATOM 476 CD LYS A 29 4.944 -22.863 -2.960 1.00 0.00 C ATOM 477 CE LYS A 29 5.517 -23.959 -3.859 1.00 0.00 C ATOM 478 NZ LYS A 29 5.513 -25.262 -3.157 1.00 0.00 N ATOM 0 H LYS A 29 3.105 -20.595 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 29 5.224 -19.958 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.852 -21.473 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.334 -22.348 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.011 -20.994 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.018 -22.358 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.461 -23.314 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.176 -22.310 -3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.929 -24.031 -4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.534 -23.701 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.905 -25.994 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.093 -25.194 -2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.538 -25.514 -2.898 1.00 0.00 H new TER 488 LYS A 29