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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 5 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.6!) 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= -0.0602 K(o=-0.06,f=-2.3) USER MOD Single : A 16 SER OG : rot 83:sc= 0.984 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 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.65 X(o=-1.7,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.741 17.805 12.252 1.00 0.00 N ATOM 2 CA LYS A 1 -4.968 17.556 11.048 1.00 0.00 C ATOM 3 C LYS A 1 -5.261 16.143 10.541 1.00 0.00 C ATOM 4 O LYS A 1 -4.823 15.161 11.140 1.00 0.00 O ATOM 5 CB LYS A 1 -3.482 17.823 11.299 1.00 0.00 C ATOM 6 CG LYS A 1 -2.813 16.616 11.959 1.00 0.00 C ATOM 7 CD LYS A 1 -1.555 17.037 12.721 1.00 0.00 C ATOM 8 CE LYS A 1 -0.766 15.814 13.195 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.020 15.558 14.631 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.544 18.765 12.599 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.755 17.716 12.038 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.479 17.112 12.982 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.263 18.246 10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -2.985 18.048 10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -3.369 18.700 11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.513 16.136 12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.553 15.879 11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.926 17.654 12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.833 17.650 13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.050 14.941 12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.299 15.975 13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.477 14.725 14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.727 16.386 15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.035 15.383 14.778 1.00 0.00 H new ATOM 19 N HIS A 2 -6.001 16.084 9.443 1.00 0.00 N ATOM 20 CA HIS A 2 -6.359 14.805 8.850 1.00 0.00 C ATOM 21 C HIS A 2 -5.463 14.534 7.640 1.00 0.00 C ATOM 22 O HIS A 2 -5.821 13.750 6.762 1.00 0.00 O ATOM 23 CB HIS A 2 -7.849 14.764 8.506 1.00 0.00 C ATOM 24 CG HIS A 2 -8.660 13.857 9.400 1.00 0.00 C ATOM 25 ND1 HIS A 2 -8.569 12.477 9.348 1.00 0.00 N ATOM 26 CD2 HIS A 2 -9.577 14.147 10.367 1.00 0.00 C ATOM 27 CE1 HIS A 2 -9.399 11.969 10.247 1.00 0.00 C ATOM 28 NE2 HIS A 2 -10.023 13.006 10.878 1.00 0.00 N ATOM 0 H HIS A 2 -6.362 16.900 8.949 1.00 0.00 H new ATOM 0 HA HIS A 2 -6.190 14.005 9.571 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -8.254 15.774 8.567 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -7.964 14.437 7.473 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -9.888 15.137 10.666 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -9.555 10.919 10.446 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -10.718 12.919 11.620 1.00 0.00 H new ATOM 36 N LEU A 3 -4.315 15.196 7.632 1.00 0.00 N ATOM 37 CA LEU A 3 -3.366 15.036 6.544 1.00 0.00 C ATOM 38 C LEU A 3 -3.305 13.562 6.140 1.00 0.00 C ATOM 39 O LEU A 3 -3.189 13.243 4.957 1.00 0.00 O ATOM 40 CB LEU A 3 -2.007 15.625 6.928 1.00 0.00 C ATOM 41 CG LEU A 3 -1.971 17.139 7.148 1.00 0.00 C ATOM 42 CD1 LEU A 3 -0.618 17.720 6.730 1.00 0.00 C ATOM 43 CD2 LEU A 3 -3.135 17.825 6.432 1.00 0.00 C ATOM 0 H LEU A 3 -4.021 15.845 8.362 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.693 15.594 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.666 15.137 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.290 15.374 6.146 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.090 17.333 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.618 18.797 6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.174 17.261 7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.445 17.516 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.086 18.900 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.072 17.626 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.078 17.438 6.818 1.00 0.00 H new ATOM 54 N LEU A 4 -3.386 12.701 7.144 1.00 0.00 N ATOM 55 CA LEU A 4 -3.342 11.268 6.907 1.00 0.00 C ATOM 56 C LEU A 4 -4.157 10.936 5.656 1.00 0.00 C ATOM 57 O LEU A 4 -3.830 10.002 4.928 1.00 0.00 O ATOM 58 CB LEU A 4 -3.792 10.505 8.155 1.00 0.00 C ATOM 59 CG LEU A 4 -2.773 10.420 9.293 1.00 0.00 C ATOM 60 CD1 LEU A 4 -1.486 9.738 8.827 1.00 0.00 C ATOM 61 CD2 LEU A 4 -2.504 11.802 9.893 1.00 0.00 C ATOM 0 H LEU A 4 -3.482 12.968 8.124 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.319 10.945 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.697 10.977 8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.062 9.491 7.859 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.197 9.802 10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.779 9.691 9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.713 8.728 8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.048 10.308 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.776 11.713 10.700 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.111 12.464 9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.433 12.215 10.286 1.00 0.00 H new ATOM 72 N GLN A 5 -5.204 11.722 5.445 1.00 0.00 N ATOM 73 CA GLN A 5 -6.069 11.523 4.295 1.00 0.00 C ATOM 74 C GLN A 5 -5.242 11.122 3.072 1.00 0.00 C ATOM 75 O GLN A 5 -5.723 10.398 2.201 1.00 0.00 O ATOM 76 CB GLN A 5 -6.897 12.778 4.009 1.00 0.00 C ATOM 77 CG GLN A 5 -7.862 12.542 2.845 1.00 0.00 C ATOM 78 CD GLN A 5 -8.053 13.821 2.024 1.00 0.00 C ATOM 79 OE1 GLN A 5 -7.168 14.654 1.912 1.00 0.00 O ATOM 80 NE2 GLN A 5 -9.252 13.928 1.461 1.00 0.00 N ATOM 0 H GLN A 5 -5.472 12.497 6.051 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.762 10.713 4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.458 13.059 4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.234 13.610 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.478 11.748 2.204 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.825 12.204 3.229 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.946 13.193 1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.478 14.745 0.894 1.00 0.00 H new ATOM 87 N THR A 6 -4.010 11.610 3.044 1.00 0.00 N ATOM 88 CA THR A 6 -3.110 11.311 1.943 1.00 0.00 C ATOM 89 C THR A 6 -2.392 9.982 2.187 1.00 0.00 C ATOM 90 O THR A 6 -2.422 9.092 1.339 1.00 0.00 O ATOM 91 CB THR A 6 -2.158 12.496 1.776 1.00 0.00 C ATOM 92 OG1 THR A 6 -1.489 12.233 0.545 1.00 0.00 O ATOM 93 CG2 THR A 6 -1.035 12.496 2.816 1.00 0.00 C ATOM 0 H THR A 6 -3.614 12.211 3.767 1.00 0.00 H new ATOM 0 HA THR A 6 -3.656 11.181 1.009 1.00 0.00 H new ATOM 0 HB THR A 6 -2.721 13.427 1.849 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.852 12.954 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.388 13.358 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.465 12.550 3.816 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.451 11.581 2.721 1.00 0.00 H new ATOM 101 N VAL A 7 -1.761 9.892 3.348 1.00 0.00 N ATOM 102 CA VAL A 7 -1.036 8.687 3.714 1.00 0.00 C ATOM 103 C VAL A 7 -1.988 7.491 3.672 1.00 0.00 C ATOM 104 O VAL A 7 -1.602 6.399 3.257 1.00 0.00 O ATOM 105 CB VAL A 7 -0.367 8.872 5.078 1.00 0.00 C ATOM 106 CG1 VAL A 7 0.668 7.776 5.334 1.00 0.00 C ATOM 107 CG2 VAL A 7 0.264 10.260 5.195 1.00 0.00 C ATOM 0 H VAL A 7 -1.737 10.634 4.048 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.237 8.491 2.999 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.139 8.789 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.128 7.931 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.179 6.802 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.435 7.813 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.732 10.365 6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.017 10.384 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.507 11.021 5.078 1.00 0.00 H new ATOM 117 N LEU A 8 -3.215 7.736 4.109 1.00 0.00 N ATOM 118 CA LEU A 8 -4.226 6.692 4.127 1.00 0.00 C ATOM 119 C LEU A 8 -4.496 6.225 2.695 1.00 0.00 C ATOM 120 O LEU A 8 -4.861 5.072 2.474 1.00 0.00 O ATOM 121 CB LEU A 8 -5.478 7.173 4.864 1.00 0.00 C ATOM 122 CG LEU A 8 -6.732 7.354 4.007 1.00 0.00 C ATOM 123 CD1 LEU A 8 -7.473 6.027 3.829 1.00 0.00 C ATOM 124 CD2 LEU A 8 -7.638 8.443 4.586 1.00 0.00 C ATOM 0 H LEU A 8 -3.532 8.642 4.453 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.870 5.825 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.704 6.461 5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.250 8.124 5.344 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.423 7.684 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.360 6.185 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.817 5.307 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.770 5.642 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.522 8.552 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.941 8.165 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.096 9.388 4.617 1.00 0.00 H new ATOM 135 N HIS A 9 -4.306 7.145 1.761 1.00 0.00 N ATOM 136 CA HIS A 9 -4.524 6.842 0.357 1.00 0.00 C ATOM 137 C HIS A 9 -3.227 6.320 -0.263 1.00 0.00 C ATOM 138 O HIS A 9 -3.254 5.428 -1.109 1.00 0.00 O ATOM 139 CB HIS A 9 -5.087 8.059 -0.380 1.00 0.00 C ATOM 140 CG HIS A 9 -6.519 7.895 -0.831 1.00 0.00 C ATOM 141 ND1 HIS A 9 -7.594 8.006 0.033 1.00 0.00 N ATOM 142 CD2 HIS A 9 -7.041 7.630 -2.063 1.00 0.00 C ATOM 143 CE1 HIS A 9 -8.708 7.814 -0.658 1.00 0.00 C ATOM 144 NE2 HIS A 9 -8.363 7.580 -1.957 1.00 0.00 N ATOM 0 H HIS A 9 -4.003 8.101 1.949 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.272 6.055 0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.020 8.929 0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.464 8.264 -1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.474 7.485 -2.971 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.713 7.838 -0.262 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.014 7.397 -2.721 1.00 0.00 H new ATOM 152 N ILE A 10 -2.121 6.899 0.181 1.00 0.00 N ATOM 153 CA ILE A 10 -0.816 6.504 -0.320 1.00 0.00 C ATOM 154 C ILE A 10 -0.515 5.072 0.128 1.00 0.00 C ATOM 155 O ILE A 10 -0.266 4.199 -0.701 1.00 0.00 O ATOM 156 CB ILE A 10 0.250 7.517 0.104 1.00 0.00 C ATOM 157 CG1 ILE A 10 0.023 8.868 -0.578 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.656 6.975 -0.155 1.00 0.00 C ATOM 159 CD1 ILE A 10 1.130 9.859 -0.214 1.00 0.00 C ATOM 0 H ILE A 10 -2.102 7.639 0.883 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.810 6.506 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 10 0.160 7.678 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.008 8.733 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.944 9.272 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.394 7.715 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.802 6.056 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.776 6.767 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.944 10.811 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.142 10.010 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.093 9.463 -0.536 1.00 0.00 H new ATOM 170 N ILE A 11 -0.548 4.876 1.438 1.00 0.00 N ATOM 171 CA ILE A 11 -0.282 3.566 2.006 1.00 0.00 C ATOM 172 C ILE A 11 -1.296 2.561 1.456 1.00 0.00 C ATOM 173 O ILE A 11 -1.088 1.351 1.544 1.00 0.00 O ATOM 174 CB ILE A 11 -0.255 3.639 3.534 1.00 0.00 C ATOM 175 CG1 ILE A 11 1.110 4.113 4.037 1.00 0.00 C ATOM 176 CG2 ILE A 11 -0.661 2.300 4.154 1.00 0.00 C ATOM 177 CD1 ILE A 11 1.467 5.479 3.448 1.00 0.00 C ATOM 0 H ILE A 11 -0.755 5.603 2.122 1.00 0.00 H new ATOM 0 HA ILE A 11 0.707 3.216 1.710 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.990 4.378 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.100 4.174 5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.874 3.385 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.634 2.379 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.671 2.042 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.032 1.524 3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.442 5.793 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.500 5.409 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.714 6.210 3.741 1.00 0.00 H new ATOM 188 N GLN A 12 -2.372 3.098 0.899 1.00 0.00 N ATOM 189 CA GLN A 12 -3.419 2.264 0.335 1.00 0.00 C ATOM 190 C GLN A 12 -2.910 1.550 -0.919 1.00 0.00 C ATOM 191 O GLN A 12 -2.970 0.325 -1.008 1.00 0.00 O ATOM 192 CB GLN A 12 -4.671 3.088 0.027 1.00 0.00 C ATOM 193 CG GLN A 12 -5.919 2.428 0.617 1.00 0.00 C ATOM 194 CD GLN A 12 -7.152 3.313 0.419 1.00 0.00 C ATOM 195 OE1 GLN A 12 -7.086 4.399 -0.134 1.00 0.00 O ATOM 196 NE2 GLN A 12 -8.276 2.792 0.901 1.00 0.00 N ATOM 0 H GLN A 12 -2.541 4.101 0.826 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.693 1.510 1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.559 4.093 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.786 3.193 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.082 1.460 0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.768 2.241 1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.262 1.878 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.153 3.307 0.819 1.00 0.00 H new ATOM 203 N VAL A 13 -2.422 2.348 -1.858 1.00 0.00 N ATOM 204 CA VAL A 13 -1.904 1.808 -3.104 1.00 0.00 C ATOM 205 C VAL A 13 -0.779 0.817 -2.796 1.00 0.00 C ATOM 206 O VAL A 13 -0.930 -0.385 -3.010 1.00 0.00 O ATOM 207 CB VAL A 13 -1.462 2.947 -4.024 1.00 0.00 C ATOM 208 CG1 VAL A 13 -0.809 2.402 -5.296 1.00 0.00 C ATOM 209 CG2 VAL A 13 -2.637 3.866 -4.362 1.00 0.00 C ATOM 0 H VAL A 13 -2.374 3.364 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.682 1.262 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.717 3.538 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.504 3.232 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.066 1.808 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.523 1.777 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.295 4.667 -5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.415 3.292 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.039 4.295 -3.444 1.00 0.00 H new ATOM 219 N VAL A 14 0.323 1.358 -2.298 1.00 0.00 N ATOM 220 CA VAL A 14 1.473 0.537 -1.959 1.00 0.00 C ATOM 221 C VAL A 14 0.990 -0.802 -1.398 1.00 0.00 C ATOM 222 O VAL A 14 1.207 -1.848 -2.008 1.00 0.00 O ATOM 223 CB VAL A 14 2.390 1.293 -0.995 1.00 0.00 C ATOM 224 CG1 VAL A 14 3.697 1.693 -1.682 1.00 0.00 C ATOM 225 CG2 VAL A 14 1.681 2.516 -0.410 1.00 0.00 C ATOM 0 H VAL A 14 0.444 2.355 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 14 2.065 0.323 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 14 2.636 0.623 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.330 2.229 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.215 0.798 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.478 2.337 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.354 3.035 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.391 3.189 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.791 2.196 0.133 1.00 0.00 H new ATOM 235 N ILE A 15 0.344 -0.726 -0.243 1.00 0.00 N ATOM 236 CA ILE A 15 -0.171 -1.919 0.406 1.00 0.00 C ATOM 237 C ILE A 15 -1.020 -2.710 -0.591 1.00 0.00 C ATOM 238 O ILE A 15 -0.914 -3.934 -0.668 1.00 0.00 O ATOM 239 CB ILE A 15 -0.915 -1.550 1.691 1.00 0.00 C ATOM 240 CG1 ILE A 15 0.050 -1.003 2.745 1.00 0.00 C ATOM 241 CG2 ILE A 15 -1.724 -2.739 2.216 1.00 0.00 C ATOM 242 CD1 ILE A 15 -0.595 -1.007 4.133 1.00 0.00 C ATOM 0 H ILE A 15 0.166 0.144 0.260 1.00 0.00 H new ATOM 0 HA ILE A 15 0.648 -2.569 0.714 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.624 -0.755 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.958 -1.606 2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.346 0.012 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.243 -2.451 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.453 -3.043 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.052 -3.571 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.112 -0.614 4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.489 -0.384 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.868 -2.027 4.405 1.00 0.00 H new ATOM 253 N SER A 16 -1.844 -1.981 -1.330 1.00 0.00 N ATOM 254 CA SER A 16 -2.710 -2.600 -2.317 1.00 0.00 C ATOM 255 C SER A 16 -1.868 -3.258 -3.412 1.00 0.00 C ATOM 256 O SER A 16 -2.349 -4.136 -4.127 1.00 0.00 O ATOM 257 CB SER A 16 -3.668 -1.576 -2.928 1.00 0.00 C ATOM 258 OG SER A 16 -4.769 -1.294 -2.069 1.00 0.00 O ATOM 0 H SER A 16 -1.929 -0.967 -1.264 1.00 0.00 H new ATOM 0 HA SER A 16 -3.307 -3.363 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.127 -0.653 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.039 -1.951 -3.882 1.00 0.00 H new ATOM 0 HG SER A 16 -4.502 -0.627 -1.403 1.00 0.00 H new ATOM 263 N TYR A 17 -0.626 -2.808 -3.512 1.00 0.00 N ATOM 264 CA TYR A 17 0.287 -3.342 -4.507 1.00 0.00 C ATOM 265 C TYR A 17 1.241 -4.364 -3.885 1.00 0.00 C ATOM 266 O TYR A 17 1.804 -5.201 -4.588 1.00 0.00 O ATOM 267 CB TYR A 17 1.099 -2.150 -5.017 1.00 0.00 C ATOM 268 CG TYR A 17 2.262 -2.535 -5.935 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.352 -3.208 -5.422 1.00 0.00 C ATOM 270 CD2 TYR A 17 2.219 -2.210 -7.276 1.00 0.00 C ATOM 271 CE1 TYR A 17 4.445 -3.571 -6.285 1.00 0.00 C ATOM 272 CE2 TYR A 17 3.312 -2.573 -8.139 1.00 0.00 C ATOM 273 CZ TYR A 17 4.371 -3.236 -7.602 1.00 0.00 C ATOM 274 OH TYR A 17 5.405 -3.579 -8.417 1.00 0.00 O ATOM 0 H TYR A 17 -0.230 -2.078 -2.919 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.264 -3.844 -5.302 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.434 -1.474 -5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.491 -1.599 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.385 -3.462 -4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.366 -1.684 -7.677 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.304 -4.097 -5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.292 -2.324 -9.190 1.00 0.00 H new ATOM 0 HH TYR A 17 5.216 -3.278 -9.330 1.00 0.00 H new ATOM 283 N PHE A 18 1.391 -4.262 -2.573 1.00 0.00 N ATOM 284 CA PHE A 18 2.266 -5.169 -1.848 1.00 0.00 C ATOM 285 C PHE A 18 1.523 -6.444 -1.444 1.00 0.00 C ATOM 286 O PHE A 18 1.993 -7.550 -1.708 1.00 0.00 O ATOM 287 CB PHE A 18 2.719 -4.435 -0.583 1.00 0.00 C ATOM 288 CG PHE A 18 3.782 -3.365 -0.832 1.00 0.00 C ATOM 289 CD1 PHE A 18 4.882 -3.657 -1.576 1.00 0.00 C ATOM 290 CD2 PHE A 18 3.628 -2.119 -0.309 1.00 0.00 C ATOM 291 CE1 PHE A 18 5.869 -2.663 -1.808 1.00 0.00 C ATOM 292 CE2 PHE A 18 4.615 -1.124 -0.541 1.00 0.00 C ATOM 293 CZ PHE A 18 5.715 -1.417 -1.285 1.00 0.00 C ATOM 0 H PHE A 18 0.922 -3.566 -1.993 1.00 0.00 H new ATOM 0 HA PHE A 18 3.108 -5.456 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.852 -3.969 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.111 -5.164 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.005 -4.646 -1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.755 -1.886 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.742 -2.896 -2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.492 -0.134 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.466 -0.661 -1.460 1.00 0.00 H new ATOM 302 N LEU A 19 0.374 -6.247 -0.814 1.00 0.00 N ATOM 303 CA LEU A 19 -0.438 -7.368 -0.372 1.00 0.00 C ATOM 304 C LEU A 19 -0.576 -8.374 -1.516 1.00 0.00 C ATOM 305 O LEU A 19 -0.507 -9.583 -1.297 1.00 0.00 O ATOM 306 CB LEU A 19 -1.778 -6.874 0.177 1.00 0.00 C ATOM 307 CG LEU A 19 -2.576 -7.884 1.004 1.00 0.00 C ATOM 308 CD1 LEU A 19 -1.646 -8.789 1.814 1.00 0.00 C ATOM 309 CD2 LEU A 19 -3.602 -7.177 1.892 1.00 0.00 C ATOM 0 H LEU A 19 -0.014 -5.328 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 19 0.047 -7.888 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.594 -5.994 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.395 -6.552 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.130 -8.524 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.240 -9.497 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.989 -9.335 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.046 -8.181 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.156 -7.918 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.088 -6.497 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.294 -6.611 1.269 1.00 0.00 H new ATOM 320 N MET A 20 -0.768 -7.839 -2.712 1.00 0.00 N ATOM 321 CA MET A 20 -0.917 -8.675 -3.891 1.00 0.00 C ATOM 322 C MET A 20 0.281 -9.614 -4.052 1.00 0.00 C ATOM 323 O MET A 20 0.208 -10.599 -4.786 1.00 0.00 O ATOM 324 CB MET A 20 -1.042 -7.790 -5.133 1.00 0.00 C ATOM 325 CG MET A 20 -1.084 -8.635 -6.408 1.00 0.00 C ATOM 326 SD MET A 20 -1.317 -7.584 -7.831 1.00 0.00 S ATOM 327 CE MET A 20 -2.740 -8.369 -8.568 1.00 0.00 C ATOM 0 H MET A 20 -0.824 -6.836 -2.890 1.00 0.00 H new ATOM 0 HA MET A 20 -1.816 -9.280 -3.773 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.946 -7.186 -5.063 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.200 -7.100 -5.178 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.157 -9.199 -6.511 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.894 -9.361 -6.346 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.021 -7.834 -9.475 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.498 -9.402 -8.816 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.571 -8.350 -7.863 1.00 0.00 H new ATOM 335 N LEU A 21 1.355 -9.276 -3.354 1.00 0.00 N ATOM 336 CA LEU A 21 2.566 -10.076 -3.410 1.00 0.00 C ATOM 337 C LEU A 21 2.759 -10.796 -2.074 1.00 0.00 C ATOM 338 O LEU A 21 3.354 -11.872 -2.025 1.00 0.00 O ATOM 339 CB LEU A 21 3.760 -9.212 -3.821 1.00 0.00 C ATOM 340 CG LEU A 21 4.857 -9.040 -2.766 1.00 0.00 C ATOM 341 CD1 LEU A 21 5.525 -10.377 -2.446 1.00 0.00 C ATOM 342 CD2 LEU A 21 5.872 -7.980 -3.200 1.00 0.00 C ATOM 0 H LEU A 21 1.412 -8.459 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 21 2.479 -10.845 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.208 -9.647 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.391 -8.224 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 21 4.394 -8.685 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.300 -10.226 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.779 -11.074 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.973 -10.786 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.640 -7.877 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.335 -8.282 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.365 -7.025 -3.336 1.00 0.00 H new ATOM 353 N ILE A 22 2.242 -10.175 -1.024 1.00 0.00 N ATOM 354 CA ILE A 22 2.350 -10.744 0.309 1.00 0.00 C ATOM 355 C ILE A 22 1.591 -12.072 0.355 1.00 0.00 C ATOM 356 O ILE A 22 2.196 -13.140 0.269 1.00 0.00 O ATOM 357 CB ILE A 22 1.885 -9.734 1.361 1.00 0.00 C ATOM 358 CG1 ILE A 22 2.564 -8.378 1.157 1.00 0.00 C ATOM 359 CG2 ILE A 22 2.104 -10.277 2.775 1.00 0.00 C ATOM 360 CD1 ILE A 22 3.743 -8.205 2.115 1.00 0.00 C ATOM 0 H ILE A 22 1.747 -9.284 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 22 3.391 -10.963 0.547 1.00 0.00 H new ATOM 0 HB ILE A 22 0.813 -9.579 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.912 -8.293 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.841 -7.578 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.766 -9.541 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.538 -11.200 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.164 -10.478 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.207 -7.233 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.388 -8.266 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.475 -8.992 1.937 1.00 0.00 H new ATOM 371 N PHE A 23 0.278 -11.963 0.490 1.00 0.00 N ATOM 372 CA PHE A 23 -0.570 -13.141 0.548 1.00 0.00 C ATOM 373 C PHE A 23 -0.200 -14.137 -0.553 1.00 0.00 C ATOM 374 O PHE A 23 0.106 -15.295 -0.272 1.00 0.00 O ATOM 375 CB PHE A 23 -2.009 -12.670 0.331 1.00 0.00 C ATOM 376 CG PHE A 23 -3.069 -13.680 0.773 1.00 0.00 C ATOM 377 CD1 PHE A 23 -2.694 -14.921 1.187 1.00 0.00 C ATOM 378 CD2 PHE A 23 -4.384 -13.339 0.752 1.00 0.00 C ATOM 379 CE1 PHE A 23 -3.679 -15.859 1.597 1.00 0.00 C ATOM 380 CE2 PHE A 23 -5.368 -14.277 1.163 1.00 0.00 C ATOM 381 CZ PHE A 23 -4.995 -15.518 1.577 1.00 0.00 C ATOM 0 H PHE A 23 -0.220 -11.076 0.561 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.447 -13.640 1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.161 -11.738 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.152 -12.448 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.649 -15.192 1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.681 -12.354 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.382 -16.844 1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.413 -14.005 1.147 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.743 -16.231 1.889 1.00 0.00 H new ATOM 390 N MET A 24 -0.242 -13.650 -1.785 1.00 0.00 N ATOM 391 CA MET A 24 0.085 -14.483 -2.931 1.00 0.00 C ATOM 392 C MET A 24 1.298 -15.367 -2.636 1.00 0.00 C ATOM 393 O MET A 24 1.154 -16.563 -2.391 1.00 0.00 O ATOM 394 CB MET A 24 0.381 -13.594 -4.140 1.00 0.00 C ATOM 395 CG MET A 24 -0.719 -13.719 -5.196 1.00 0.00 C ATOM 396 SD MET A 24 -0.108 -14.619 -6.611 1.00 0.00 S ATOM 397 CE MET A 24 -1.034 -16.135 -6.438 1.00 0.00 C ATOM 0 H MET A 24 -0.497 -12.690 -2.015 1.00 0.00 H new ATOM 0 HA MET A 24 -0.767 -15.128 -3.144 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.466 -12.556 -3.820 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.341 -13.873 -4.575 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.583 -14.232 -4.774 1.00 0.00 H new ATOM 0 HG3 MET A 24 -1.055 -12.728 -5.502 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.771 -16.816 -7.248 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.796 -16.600 -5.481 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.101 -15.916 -6.480 1.00 0.00 H new ATOM 405 N THR A 25 2.467 -14.744 -2.673 1.00 0.00 N ATOM 406 CA THR A 25 3.705 -15.461 -2.413 1.00 0.00 C ATOM 407 C THR A 25 3.608 -16.233 -1.097 1.00 0.00 C ATOM 408 O THR A 25 4.257 -17.266 -0.930 1.00 0.00 O ATOM 409 CB THR A 25 4.851 -14.447 -2.441 1.00 0.00 C ATOM 410 OG1 THR A 25 5.885 -15.112 -3.162 1.00 0.00 O ATOM 411 CG2 THR A 25 5.456 -14.210 -1.055 1.00 0.00 C ATOM 0 H THR A 25 2.583 -13.752 -2.879 1.00 0.00 H new ATOM 0 HA THR A 25 3.897 -16.212 -3.179 1.00 0.00 H new ATOM 0 HB THR A 25 4.490 -13.502 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.667 -14.525 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.264 -13.483 -1.130 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.687 -13.829 -0.383 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.848 -15.149 -0.664 1.00 0.00 H new ATOM 419 N TYR A 26 2.794 -15.704 -0.195 1.00 0.00 N ATOM 420 CA TYR A 26 2.604 -16.333 1.101 1.00 0.00 C ATOM 421 C TYR A 26 1.568 -17.455 1.020 1.00 0.00 C ATOM 422 O TYR A 26 1.143 -17.988 2.045 1.00 0.00 O ATOM 423 CB TYR A 26 2.078 -15.234 2.028 1.00 0.00 C ATOM 424 CG TYR A 26 3.145 -14.236 2.480 1.00 0.00 C ATOM 425 CD1 TYR A 26 4.385 -14.232 1.876 1.00 0.00 C ATOM 426 CD2 TYR A 26 2.867 -13.340 3.492 1.00 0.00 C ATOM 427 CE1 TYR A 26 5.390 -13.292 2.302 1.00 0.00 C ATOM 428 CE2 TYR A 26 3.871 -12.400 3.917 1.00 0.00 C ATOM 429 CZ TYR A 26 5.083 -12.423 3.301 1.00 0.00 C ATOM 430 OH TYR A 26 6.033 -11.536 3.703 1.00 0.00 O ATOM 0 H TYR A 26 2.259 -14.847 -0.336 1.00 0.00 H new ATOM 0 HA TYR A 26 3.537 -16.770 1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.282 -14.692 1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.633 -15.698 2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.602 -14.933 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.896 -13.344 3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.365 -13.278 1.838 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.666 -11.693 4.707 1.00 0.00 H new ATOM 0 HH TYR A 26 5.674 -10.977 4.423 1.00 0.00 H new ATOM 439 N ASN A 27 1.192 -17.783 -0.207 1.00 0.00 N ATOM 440 CA ASN A 27 0.215 -18.833 -0.435 1.00 0.00 C ATOM 441 C ASN A 27 0.699 -20.127 0.223 1.00 0.00 C ATOM 442 O ASN A 27 -0.034 -20.750 0.991 1.00 0.00 O ATOM 443 CB ASN A 27 0.035 -19.103 -1.930 1.00 0.00 C ATOM 444 CG ASN A 27 -1.224 -18.417 -2.464 1.00 0.00 C ATOM 445 OD1 ASN A 27 -2.053 -19.014 -3.132 1.00 0.00 O ATOM 446 ND2 ASN A 27 -1.322 -17.133 -2.132 1.00 0.00 N ATOM 0 H ASN A 27 1.547 -17.340 -1.054 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.734 -18.507 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.908 -18.744 -2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.030 -20.177 -2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.127 -16.587 -2.439 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.592 -16.694 -1.570 1.00 0.00 H new ATOM 452 N LYS A 28 1.931 -20.493 -0.099 1.00 0.00 N ATOM 453 CA LYS A 28 2.521 -21.700 0.452 1.00 0.00 C ATOM 454 C LYS A 28 1.466 -22.807 0.489 1.00 0.00 C ATOM 455 O LYS A 28 0.901 -23.094 1.543 1.00 0.00 O ATOM 456 CB LYS A 28 3.160 -21.412 1.813 1.00 0.00 C ATOM 457 CG LYS A 28 3.668 -19.970 1.886 1.00 0.00 C ATOM 458 CD LYS A 28 4.945 -19.881 2.724 1.00 0.00 C ATOM 459 CE LYS A 28 4.961 -18.603 3.563 1.00 0.00 C ATOM 460 NZ LYS A 28 6.227 -18.498 4.324 1.00 0.00 N ATOM 0 H LYS A 28 2.537 -19.974 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 28 3.332 -22.053 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.431 -21.585 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.987 -22.102 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.862 -19.598 0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.899 -19.331 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.017 -20.750 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.816 -19.902 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.846 -17.734 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.115 -18.602 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.221 -17.624 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.321 -19.318 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.029 -18.477 3.662 1.00 0.00 H new ATOM 470 N LYS A 29 1.234 -23.399 -0.672 1.00 0.00 N ATOM 471 CA LYS A 29 0.256 -24.468 -0.786 1.00 0.00 C ATOM 472 C LYS A 29 -1.071 -24.006 -0.181 1.00 0.00 C ATOM 473 O LYS A 29 -2.123 -24.568 -0.482 1.00 0.00 O ATOM 474 CB LYS A 29 0.799 -25.758 -0.166 1.00 0.00 C ATOM 475 CG LYS A 29 1.881 -26.379 -1.051 1.00 0.00 C ATOM 476 CD LYS A 29 3.232 -26.400 -0.333 1.00 0.00 C ATOM 477 CE LYS A 29 4.153 -25.300 -0.867 1.00 0.00 C ATOM 478 NZ LYS A 29 4.612 -24.428 0.237 1.00 0.00 N ATOM 0 H LYS A 29 1.707 -23.159 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 29 0.065 -24.700 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.209 -25.546 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.015 -26.470 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.594 -27.395 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.967 -25.812 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.081 -26.265 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.705 -27.373 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.012 -25.748 -1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.625 -24.705 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.093 -23.594 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.793 -24.122 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.273 -24.955 0.844 1.00 0.00 H new TER 488 LYS A 29