USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 270 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+ -104:sc= 0.0471 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.0568 K(o=0.057,f=-3.6!) USER MOD Single : A 9 THR OG1 : rot 2:sc= 0.0798 USER MOD Single : A 10 ASN : amide:sc=-0.00486 X(o=-0.0049,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.083 9.716 -7.526 1.00 0.00 N ATOM 2 CA LYS A 1 -12.666 9.493 -8.941 1.00 0.00 C ATOM 3 C LYS A 1 -12.741 8.008 -9.314 1.00 0.00 C ATOM 4 O LYS A 1 -12.656 7.140 -8.441 1.00 0.00 O ATOM 5 CB LYS A 1 -11.250 10.055 -9.242 1.00 0.00 C ATOM 6 CG LYS A 1 -11.287 11.444 -9.905 1.00 0.00 C ATOM 7 CD LYS A 1 -11.156 12.620 -8.920 1.00 0.00 C ATOM 8 CE LYS A 1 -11.607 13.937 -9.568 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.080 14.131 -9.471 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.042 10.117 -7.506 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.076 8.810 -7.015 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.422 10.376 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.372 10.047 -9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.683 10.116 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.720 9.361 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.481 11.506 -10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.223 11.547 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.757 12.423 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.121 12.709 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.099 14.771 -9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.308 13.946 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.342 15.032 -9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.566 13.349 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.363 14.148 -8.470 1.00 0.00 H new ATOM 25 N LYS A 2 -12.876 7.711 -10.615 1.00 0.00 N ATOM 26 CA LYS A 2 -12.865 6.362 -11.215 1.00 0.00 C ATOM 27 C LYS A 2 -11.871 6.309 -12.381 1.00 0.00 C ATOM 28 O LYS A 2 -11.977 7.091 -13.329 1.00 0.00 O ATOM 29 CB LYS A 2 -14.279 5.939 -11.668 1.00 0.00 C ATOM 30 CG LYS A 2 -15.105 5.336 -10.517 1.00 0.00 C ATOM 31 CD LYS A 2 -16.397 4.667 -11.021 1.00 0.00 C ATOM 32 CE LYS A 2 -17.561 5.654 -11.195 1.00 0.00 C ATOM 33 NZ LYS A 2 -18.456 5.667 -10.005 1.00 0.00 N ATOM 0 H LYS A 2 -13.003 8.441 -11.316 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.542 5.651 -10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.803 6.805 -12.073 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.197 5.210 -12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.501 4.602 -9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.358 6.120 -9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.197 4.179 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.692 3.887 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.166 6.656 -11.364 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.137 5.385 -12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.229 6.345 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.853 4.717 -9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.912 5.948 -9.165 1.00 0.00 H new ATOM 47 N LYS A 3 -10.903 5.393 -12.289 1.00 0.00 N ATOM 48 CA LYS A 3 -9.839 5.102 -13.272 1.00 0.00 C ATOM 49 C LYS A 3 -9.845 3.613 -13.653 1.00 0.00 C ATOM 50 O LYS A 3 -10.589 2.818 -13.072 1.00 0.00 O ATOM 51 CB LYS A 3 -8.483 5.553 -12.689 1.00 0.00 C ATOM 52 CG LYS A 3 -8.306 7.087 -12.692 1.00 0.00 C ATOM 53 CD LYS A 3 -7.298 7.536 -13.763 1.00 0.00 C ATOM 54 CE LYS A 3 -7.275 9.052 -14.012 1.00 0.00 C ATOM 55 NZ LYS A 3 -6.931 9.838 -12.797 1.00 0.00 N ATOM 0 H LYS A 3 -10.831 4.789 -11.470 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.018 5.657 -14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.392 5.184 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.677 5.098 -13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.269 7.565 -12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.967 7.417 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.301 7.213 -13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.530 7.029 -14.700 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.553 9.274 -14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.252 9.369 -14.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.932 10.852 -13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.633 9.652 -12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.987 9.560 -12.460 1.00 0.00 H new ATOM 69 N ASN A 4 -9.037 3.240 -14.646 1.00 0.00 N ATOM 70 CA ASN A 4 -8.927 1.861 -15.136 1.00 0.00 C ATOM 71 C ASN A 4 -8.359 0.905 -14.063 1.00 0.00 C ATOM 72 O ASN A 4 -7.706 1.343 -13.110 1.00 0.00 O ATOM 73 CB ASN A 4 -8.067 1.866 -16.421 1.00 0.00 C ATOM 74 CG ASN A 4 -8.592 0.912 -17.483 1.00 0.00 C ATOM 75 OD1 ASN A 4 -9.147 -0.138 -17.196 1.00 0.00 O ATOM 76 ND2 ASN A 4 -8.448 1.255 -18.743 1.00 0.00 N ATOM 0 H ASN A 4 -8.431 3.895 -15.141 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.922 1.481 -15.367 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.037 2.876 -16.829 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.042 1.594 -16.168 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.799 0.645 -19.481 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.985 2.131 -18.983 1.00 0.00 H new ATOM 83 N TRP A 5 -8.532 -0.410 -14.233 1.00 0.00 N ATOM 84 CA TRP A 5 -8.034 -1.429 -13.291 1.00 0.00 C ATOM 85 C TRP A 5 -6.508 -1.368 -13.079 1.00 0.00 C ATOM 86 O TRP A 5 -6.022 -1.664 -11.987 1.00 0.00 O ATOM 87 CB TRP A 5 -8.463 -2.826 -13.761 1.00 0.00 C ATOM 88 CG TRP A 5 -7.791 -3.310 -15.013 1.00 0.00 C ATOM 89 CD1 TRP A 5 -8.243 -3.124 -16.273 1.00 0.00 C ATOM 90 CD2 TRP A 5 -6.525 -4.029 -15.142 1.00 0.00 C ATOM 91 NE1 TRP A 5 -7.335 -3.651 -17.173 1.00 0.00 N ATOM 92 CE2 TRP A 5 -6.252 -4.213 -16.531 1.00 0.00 C ATOM 93 CE3 TRP A 5 -5.570 -4.528 -14.229 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -5.089 -4.848 -16.991 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -4.401 -5.172 -14.679 1.00 0.00 C ATOM 96 CH2 TRP A 5 -4.157 -5.330 -16.056 1.00 0.00 C ATOM 0 H TRP A 5 -9.025 -0.805 -15.034 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.482 -1.214 -12.321 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.263 -3.539 -12.961 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -9.541 -2.823 -13.923 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -9.171 -2.638 -16.537 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.452 -3.627 -18.186 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.739 -4.414 -13.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.912 -4.965 -18.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.686 -5.548 -13.962 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.256 -5.820 -16.393 1.00 0.00 H new ATOM 107 N PHE A 6 -5.758 -0.915 -14.090 1.00 0.00 N ATOM 108 CA PHE A 6 -4.306 -0.707 -14.042 1.00 0.00 C ATOM 109 C PHE A 6 -3.874 0.334 -12.982 1.00 0.00 C ATOM 110 O PHE A 6 -2.777 0.252 -12.426 1.00 0.00 O ATOM 111 CB PHE A 6 -3.836 -0.312 -15.450 1.00 0.00 C ATOM 112 CG PHE A 6 -2.339 -0.421 -15.660 1.00 0.00 C ATOM 113 CD1 PHE A 6 -1.493 0.660 -15.344 1.00 0.00 C ATOM 114 CD2 PHE A 6 -1.787 -1.612 -16.171 1.00 0.00 C ATOM 115 CE1 PHE A 6 -0.103 0.544 -15.524 1.00 0.00 C ATOM 116 CE2 PHE A 6 -0.398 -1.725 -16.359 1.00 0.00 C ATOM 117 CZ PHE A 6 0.445 -0.647 -16.033 1.00 0.00 C ATOM 0 H PHE A 6 -6.160 -0.675 -14.996 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.829 -1.636 -13.730 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.341 -0.945 -16.180 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.146 0.714 -15.649 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.912 1.579 -14.963 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.433 -2.441 -16.419 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.544 1.371 -15.271 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.021 -2.639 -16.753 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.512 -0.734 -16.174 1.00 0.00 H new ATOM 127 N ASP A 7 -4.728 1.317 -12.669 1.00 0.00 N ATOM 128 CA ASP A 7 -4.475 2.300 -11.605 1.00 0.00 C ATOM 129 C ASP A 7 -4.825 1.723 -10.218 1.00 0.00 C ATOM 130 O ASP A 7 -4.236 2.125 -9.214 1.00 0.00 O ATOM 131 CB ASP A 7 -5.252 3.599 -11.878 1.00 0.00 C ATOM 132 CG ASP A 7 -4.449 4.575 -12.755 1.00 0.00 C ATOM 133 OD1 ASP A 7 -4.237 4.291 -13.958 1.00 0.00 O ATOM 134 OD2 ASP A 7 -4.031 5.641 -12.241 1.00 0.00 O ATOM 0 H ASP A 7 -5.618 1.454 -13.148 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.410 2.533 -11.603 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.195 3.361 -12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.498 4.080 -10.932 1.00 0.00 H new ATOM 139 N ILE A 8 -5.737 0.746 -10.147 1.00 0.00 N ATOM 140 CA ILE A 8 -6.091 0.033 -8.909 1.00 0.00 C ATOM 141 C ILE A 8 -4.974 -0.941 -8.500 1.00 0.00 C ATOM 142 O ILE A 8 -4.609 -0.998 -7.323 1.00 0.00 O ATOM 143 CB ILE A 8 -7.452 -0.692 -9.049 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.597 0.230 -9.536 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.850 -1.372 -7.727 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.809 1.513 -8.721 1.00 0.00 C ATOM 0 H ILE A 8 -6.260 0.422 -10.961 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.196 0.771 -8.114 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.307 -1.448 -9.821 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.400 0.507 -10.572 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.526 -0.340 -9.530 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.809 -1.874 -7.851 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.090 -2.103 -7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.933 -0.621 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.634 2.083 -9.148 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.044 1.254 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.900 2.115 -8.747 1.00 0.00 H new ATOM 158 N THR A 9 -4.373 -1.669 -9.450 1.00 0.00 N ATOM 159 CA THR A 9 -3.226 -2.561 -9.175 1.00 0.00 C ATOM 160 C THR A 9 -2.007 -1.814 -8.624 1.00 0.00 C ATOM 161 O THR A 9 -1.241 -2.387 -7.846 1.00 0.00 O ATOM 162 CB THR A 9 -2.818 -3.415 -10.386 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.571 -2.628 -11.529 1.00 0.00 O ATOM 164 CG2 THR A 9 -3.911 -4.416 -10.755 1.00 0.00 C ATOM 0 H THR A 9 -4.662 -1.661 -10.428 1.00 0.00 H new ATOM 0 HA THR A 9 -3.586 -3.237 -8.399 1.00 0.00 H new ATOM 0 HB THR A 9 -1.907 -3.933 -10.087 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.679 -1.680 -11.303 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.591 -5.004 -11.615 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.097 -5.080 -9.911 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.827 -3.880 -11.003 1.00 0.00 H new ATOM 172 N ASN A 10 -1.838 -0.529 -8.962 1.00 0.00 N ATOM 173 CA ASN A 10 -0.779 0.317 -8.417 1.00 0.00 C ATOM 174 C ASN A 10 -0.978 0.541 -6.904 1.00 0.00 C ATOM 175 O ASN A 10 -0.031 0.434 -6.126 1.00 0.00 O ATOM 176 CB ASN A 10 -0.740 1.630 -9.216 1.00 0.00 C ATOM 177 CG ASN A 10 0.182 2.656 -8.583 1.00 0.00 C ATOM 178 OD1 ASN A 10 1.391 2.643 -8.767 1.00 0.00 O ATOM 179 ND2 ASN A 10 -0.371 3.566 -7.813 1.00 0.00 N ATOM 0 H ASN A 10 -2.441 -0.047 -9.629 1.00 0.00 H new ATOM 0 HA ASN A 10 0.189 -0.174 -8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.409 1.425 -10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.747 2.042 -9.285 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.209 4.272 -7.361 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.381 3.566 -7.668 1.00 0.00 H new ATOM 186 N TRP A 11 -2.213 0.805 -6.462 1.00 0.00 N ATOM 187 CA TRP A 11 -2.528 0.926 -5.035 1.00 0.00 C ATOM 188 C TRP A 11 -2.377 -0.395 -4.270 1.00 0.00 C ATOM 189 O TRP A 11 -1.928 -0.377 -3.126 1.00 0.00 O ATOM 190 CB TRP A 11 -3.920 1.535 -4.845 1.00 0.00 C ATOM 191 CG TRP A 11 -3.970 2.991 -5.193 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.612 3.534 -6.252 1.00 0.00 C ATOM 193 CD2 TRP A 11 -3.309 4.099 -4.508 1.00 0.00 C ATOM 194 NE1 TRP A 11 -4.389 4.899 -6.274 1.00 0.00 N ATOM 195 CE2 TRP A 11 -3.584 5.300 -5.228 1.00 0.00 C ATOM 196 CE3 TRP A 11 -2.493 4.210 -3.359 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -3.069 6.545 -4.836 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -1.974 5.456 -2.956 1.00 0.00 C ATOM 199 CH2 TRP A 11 -2.256 6.620 -3.691 1.00 0.00 C ATOM 0 H TRP A 11 -3.015 0.940 -7.077 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.791 1.602 -4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.636 0.994 -5.464 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.231 1.403 -3.809 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.206 2.987 -6.969 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.772 5.531 -6.977 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.264 3.326 -2.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.294 7.434 -5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.354 5.517 -2.074 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.849 7.570 -3.377 1.00 0.00 H new ATOM 210 N LEU A 12 -2.674 -1.539 -4.898 1.00 0.00 N ATOM 211 CA LEU A 12 -2.555 -2.872 -4.288 1.00 0.00 C ATOM 212 C LEU A 12 -1.159 -3.132 -3.685 1.00 0.00 C ATOM 213 O LEU A 12 -1.055 -3.522 -2.521 1.00 0.00 O ATOM 214 CB LEU A 12 -2.939 -3.958 -5.319 1.00 0.00 C ATOM 215 CG LEU A 12 -4.136 -4.832 -4.910 1.00 0.00 C ATOM 216 CD1 LEU A 12 -4.453 -5.808 -6.047 1.00 0.00 C ATOM 217 CD2 LEU A 12 -3.872 -5.649 -3.644 1.00 0.00 C ATOM 0 H LEU A 12 -3.010 -1.567 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.252 -2.915 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.166 -3.475 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.076 -4.602 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.968 -4.158 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.301 -6.432 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.699 -5.248 -6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.585 -6.440 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.753 -6.245 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.020 -6.309 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.655 -4.975 -2.815 1.00 0.00 H new ATOM 229 N TRP A 13 -0.083 -2.879 -4.446 1.00 0.00 N ATOM 230 CA TRP A 13 1.293 -2.990 -3.935 1.00 0.00 C ATOM 231 C TRP A 13 1.696 -1.806 -3.033 1.00 0.00 C ATOM 232 O TRP A 13 2.501 -1.983 -2.118 1.00 0.00 O ATOM 233 CB TRP A 13 2.294 -3.182 -5.088 1.00 0.00 C ATOM 234 CG TRP A 13 2.623 -1.970 -5.911 1.00 0.00 C ATOM 235 CD1 TRP A 13 2.098 -1.675 -7.123 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.559 -0.888 -5.606 1.00 0.00 C ATOM 237 NE1 TRP A 13 2.611 -0.466 -7.563 1.00 0.00 N ATOM 238 CE2 TRP A 13 3.476 0.085 -6.646 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.470 -0.624 -4.559 1.00 0.00 C ATOM 240 CZ2 TRP A 13 4.196 1.289 -6.616 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.234 0.559 -4.544 1.00 0.00 C ATOM 242 CH2 TRP A 13 5.078 1.529 -5.550 1.00 0.00 C ATOM 0 H TRP A 13 -0.140 -2.594 -5.424 1.00 0.00 H new ATOM 0 HA TRP A 13 1.321 -3.878 -3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.223 -3.570 -4.670 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.900 -3.948 -5.755 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.390 -2.286 -7.663 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.376 -0.037 -8.458 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.582 -1.340 -3.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.074 2.020 -7.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.948 0.723 -3.751 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.634 2.454 -5.503 1.00 0.00 H new ATOM 253 N TYR A 14 1.124 -0.614 -3.238 1.00 0.00 N ATOM 254 CA TYR A 14 1.420 0.582 -2.438 1.00 0.00 C ATOM 255 C TYR A 14 0.961 0.436 -0.978 1.00 0.00 C ATOM 256 O TYR A 14 1.702 0.778 -0.058 1.00 0.00 O ATOM 257 CB TYR A 14 0.780 1.813 -3.092 1.00 0.00 C ATOM 258 CG TYR A 14 1.235 3.142 -2.517 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.679 3.626 -1.315 1.00 0.00 C ATOM 260 CD2 TYR A 14 2.200 3.907 -3.201 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.088 4.869 -0.795 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.602 5.156 -2.691 1.00 0.00 C ATOM 263 CZ TYR A 14 2.046 5.642 -1.487 1.00 0.00 C ATOM 264 OH TYR A 14 2.431 6.857 -1.006 1.00 0.00 O ATOM 0 H TYR A 14 0.435 -0.450 -3.972 1.00 0.00 H new ATOM 0 HA TYR A 14 2.502 0.708 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.003 1.798 -4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.303 1.740 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.063 3.041 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.632 3.535 -4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.669 5.231 0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.337 5.744 -3.221 1.00 0.00 H new ATOM 0 HH TYR A 14 3.098 7.250 -1.607 1.00 0.00 H new ATOM 274 N ILE A 15 -0.233 -0.122 -0.737 1.00 0.00 N ATOM 275 CA ILE A 15 -0.757 -0.404 0.616 1.00 0.00 C ATOM 276 C ILE A 15 0.201 -1.323 1.395 1.00 0.00 C ATOM 277 O ILE A 15 0.408 -1.147 2.597 1.00 0.00 O ATOM 278 CB ILE A 15 -2.177 -1.015 0.525 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.185 -0.047 -0.143 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.718 -1.397 1.916 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.312 -0.796 -0.865 1.00 0.00 C ATOM 0 H ILE A 15 -0.874 -0.395 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.827 0.535 1.165 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.079 -1.910 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.614 0.609 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.659 0.589 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.716 -1.823 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.056 -2.131 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.765 -0.508 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.995 -0.077 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.887 -1.432 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.856 -1.412 -0.149 1.00 0.00 H new ATOM 293 N LYS A 16 0.858 -2.260 0.700 1.00 0.00 N ATOM 294 CA LYS A 16 1.877 -3.171 1.244 1.00 0.00 C ATOM 295 C LYS A 16 3.101 -2.442 1.829 1.00 0.00 C ATOM 296 O LYS A 16 3.730 -2.960 2.753 1.00 0.00 O ATOM 297 CB LYS A 16 2.261 -4.175 0.142 1.00 0.00 C ATOM 298 CG LYS A 16 2.461 -5.598 0.680 1.00 0.00 C ATOM 299 CD LYS A 16 2.602 -6.570 -0.499 1.00 0.00 C ATOM 300 CE LYS A 16 3.089 -7.948 -0.029 1.00 0.00 C ATOM 301 NZ LYS A 16 4.347 -8.346 -0.716 1.00 0.00 N ATOM 0 H LYS A 16 0.689 -2.411 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 16 1.453 -3.703 2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.483 -4.186 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.179 -3.842 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.350 -5.640 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.615 -5.886 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.642 -6.674 -1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.303 -6.163 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.252 -7.929 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.317 -8.693 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.648 -9.281 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.184 -8.388 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.090 -7.648 -0.512 1.00 0.00 H new ATOM 315 N LEU A 17 3.412 -1.226 1.359 1.00 0.00 N ATOM 316 CA LEU A 17 4.489 -0.385 1.907 1.00 0.00 C ATOM 317 C LEU A 17 4.180 0.038 3.352 1.00 0.00 C ATOM 318 O LEU A 17 5.063 0.027 4.206 1.00 0.00 O ATOM 319 CB LEU A 17 4.724 0.877 1.056 1.00 0.00 C ATOM 320 CG LEU A 17 4.996 0.646 -0.440 1.00 0.00 C ATOM 321 CD1 LEU A 17 5.164 2.002 -1.131 1.00 0.00 C ATOM 322 CD2 LEU A 17 6.250 -0.203 -0.670 1.00 0.00 C ATOM 0 H LEU A 17 2.918 -0.792 0.579 1.00 0.00 H new ATOM 0 HA LEU A 17 5.394 -0.992 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.850 1.521 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.568 1.422 1.478 1.00 0.00 H new ATOM 0 HG LEU A 17 4.149 0.103 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.357 1.848 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.253 2.588 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.002 2.537 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.404 -0.341 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.115 0.302 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.124 -1.175 -0.193 1.00 0.00 H new ATOM 334 N PHE A 18 2.917 0.367 3.649 1.00 0.00 N ATOM 335 CA PHE A 18 2.475 0.685 5.009 1.00 0.00 C ATOM 336 C PHE A 18 2.760 -0.488 5.962 1.00 0.00 C ATOM 337 O PHE A 18 3.306 -0.288 7.044 1.00 0.00 O ATOM 338 CB PHE A 18 0.988 1.066 4.993 1.00 0.00 C ATOM 339 CG PHE A 18 0.495 1.704 6.279 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.646 3.090 6.476 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.119 0.919 7.275 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.186 3.690 7.661 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.582 1.522 8.461 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.427 2.906 8.655 1.00 0.00 C ATOM 0 H PHE A 18 2.174 0.420 2.952 1.00 0.00 H new ATOM 0 HA PHE A 18 3.038 1.540 5.382 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.810 1.755 4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.397 0.172 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.117 3.694 5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.235 -0.145 7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.303 4.753 7.808 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.057 0.921 9.222 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.778 3.367 9.566 1.00 0.00 H new ATOM 354 N ILE A 19 2.469 -1.722 5.532 1.00 0.00 N ATOM 355 CA ILE A 19 2.717 -2.949 6.304 1.00 0.00 C ATOM 356 C ILE A 19 4.210 -3.113 6.638 1.00 0.00 C ATOM 357 O ILE A 19 4.547 -3.279 7.809 1.00 0.00 O ATOM 358 CB ILE A 19 2.157 -4.210 5.600 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.684 -4.021 5.160 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.278 -5.412 6.558 1.00 0.00 C ATOM 361 CD1 ILE A 19 0.119 -5.197 4.353 1.00 0.00 C ATOM 0 H ILE A 19 2.047 -1.900 4.621 1.00 0.00 H new ATOM 0 HA ILE A 19 2.175 -2.843 7.243 1.00 0.00 H new ATOM 0 HB ILE A 19 2.740 -4.389 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.067 -3.872 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.608 -3.113 4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.886 -6.306 6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.326 -5.568 6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.708 -5.213 7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.916 -4.989 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.710 -5.334 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.161 -6.105 4.955 1.00 0.00 H new ATOM 373 N MET A 20 5.114 -3.049 5.649 1.00 0.00 N ATOM 374 CA MET A 20 6.564 -3.191 5.896 1.00 0.00 C ATOM 375 C MET A 20 7.136 -2.105 6.830 1.00 0.00 C ATOM 376 O MET A 20 8.035 -2.395 7.621 1.00 0.00 O ATOM 377 CB MET A 20 7.364 -3.278 4.581 1.00 0.00 C ATOM 378 CG MET A 20 7.230 -2.042 3.699 1.00 0.00 C ATOM 379 SD MET A 20 8.305 -1.973 2.241 1.00 0.00 S ATOM 380 CE MET A 20 9.809 -1.310 3.009 1.00 0.00 C ATOM 0 H MET A 20 4.871 -2.900 4.670 1.00 0.00 H new ATOM 0 HA MET A 20 6.680 -4.138 6.424 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.417 -3.433 4.816 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.031 -4.151 4.020 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.195 -1.972 3.364 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.428 -1.162 4.311 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.586 -1.200 2.252 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.593 -0.337 3.451 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.153 -1.993 3.785 1.00 0.00 H new ATOM 390 N ILE A 21 6.601 -0.878 6.784 1.00 0.00 N ATOM 391 CA ILE A 21 6.974 0.224 7.687 1.00 0.00 C ATOM 392 C ILE A 21 6.471 -0.062 9.112 1.00 0.00 C ATOM 393 O ILE A 21 7.263 -0.096 10.056 1.00 0.00 O ATOM 394 CB ILE A 21 6.439 1.570 7.140 1.00 0.00 C ATOM 395 CG1 ILE A 21 7.134 1.949 5.810 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.648 2.702 8.162 1.00 0.00 C ATOM 397 CD1 ILE A 21 6.371 3.019 5.015 1.00 0.00 C ATOM 0 H ILE A 21 5.884 -0.616 6.107 1.00 0.00 H new ATOM 0 HA ILE A 21 8.060 0.300 7.734 1.00 0.00 H new ATOM 0 HB ILE A 21 5.372 1.443 6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.140 2.311 6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.241 1.055 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.264 3.637 7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.117 2.463 9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.712 2.809 8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.910 3.241 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.374 2.651 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.287 3.926 5.613 1.00 0.00 H new ATOM 409 N VAL A 22 5.169 -0.326 9.280 1.00 0.00 N ATOM 410 CA VAL A 22 4.546 -0.645 10.581 1.00 0.00 C ATOM 411 C VAL A 22 5.177 -1.879 11.214 1.00 0.00 C ATOM 412 O VAL A 22 5.386 -1.888 12.422 1.00 0.00 O ATOM 413 CB VAL A 22 3.025 -0.833 10.443 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.324 -1.249 11.745 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.361 0.485 10.028 1.00 0.00 C ATOM 0 H VAL A 22 4.504 -0.325 8.506 1.00 0.00 H new ATOM 0 HA VAL A 22 4.727 0.205 11.239 1.00 0.00 H new ATOM 0 HB VAL A 22 2.915 -1.624 9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.255 -1.361 11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.734 -2.197 12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.485 -0.484 12.505 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.285 0.337 9.934 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.558 1.245 10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.767 0.811 9.071 1.00 0.00 H new ATOM 425 N GLY A 23 5.579 -2.877 10.425 1.00 0.00 N ATOM 426 CA GLY A 23 6.262 -4.078 10.910 1.00 0.00 C ATOM 427 C GLY A 23 7.552 -3.802 11.707 1.00 0.00 C ATOM 428 O GLY A 23 7.960 -4.639 12.516 1.00 0.00 O ATOM 0 H GLY A 23 5.437 -2.874 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.574 -4.642 11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.505 -4.712 10.057 1.00 0.00 H new ATOM 432 N GLY A 24 8.175 -2.631 11.511 1.00 0.00 N ATOM 433 CA GLY A 24 9.350 -2.146 12.248 1.00 0.00 C ATOM 434 C GLY A 24 9.074 -0.948 13.172 1.00 0.00 C ATOM 435 O GLY A 24 9.833 -0.730 14.116 1.00 0.00 O ATOM 0 H GLY A 24 7.860 -1.967 10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.752 -2.964 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.122 -1.866 11.532 1.00 0.00 H new ATOM 439 N LEU A 25 7.994 -0.184 12.951 1.00 0.00 N ATOM 440 CA LEU A 25 7.584 0.939 13.812 1.00 0.00 C ATOM 441 C LEU A 25 6.634 0.545 14.959 1.00 0.00 C ATOM 442 O LEU A 25 6.609 1.235 15.976 1.00 0.00 O ATOM 443 CB LEU A 25 6.946 2.063 12.972 1.00 0.00 C ATOM 444 CG LEU A 25 7.890 2.810 12.008 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.145 4.008 11.416 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.147 3.351 12.693 1.00 0.00 C ATOM 0 H LEU A 25 7.370 -0.330 12.157 1.00 0.00 H new ATOM 0 HA LEU A 25 8.502 1.292 14.282 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.130 1.635 12.390 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.504 2.791 13.652 1.00 0.00 H new ATOM 0 HG LEU A 25 8.197 2.089 11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.803 4.544 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.266 3.658 10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.834 4.676 12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.768 3.865 11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.861 4.049 13.480 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.709 2.524 13.128 1.00 0.00 H new ATOM 458 N VAL A 26 5.882 -0.557 14.851 1.00 0.00 N ATOM 459 CA VAL A 26 4.936 -1.026 15.889 1.00 0.00 C ATOM 460 C VAL A 26 5.634 -1.364 17.217 1.00 0.00 C ATOM 461 O VAL A 26 5.056 -1.185 18.292 1.00 0.00 O ATOM 462 CB VAL A 26 4.098 -2.212 15.361 1.00 0.00 C ATOM 463 CG1 VAL A 26 4.892 -3.517 15.196 1.00 0.00 C ATOM 464 CG2 VAL A 26 2.865 -2.489 16.224 1.00 0.00 C ATOM 0 H VAL A 26 5.909 -1.162 14.030 1.00 0.00 H new ATOM 0 HA VAL A 26 4.259 -0.201 16.110 1.00 0.00 H new ATOM 0 HB VAL A 26 3.783 -1.886 14.370 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.232 -4.300 14.822 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.707 -3.360 14.489 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.301 -3.818 16.160 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.312 -3.331 15.809 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.178 -2.726 17.241 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.225 -1.607 16.238 1.00 0.00 H new ATOM 474 N LYS A 27 6.897 -1.808 17.146 1.00 0.00 N ATOM 475 CA LYS A 27 7.762 -2.150 18.289 1.00 0.00 C ATOM 476 C LYS A 27 8.558 -0.964 18.867 1.00 0.00 C ATOM 477 O LYS A 27 9.013 -1.053 20.010 1.00 0.00 O ATOM 478 CB LYS A 27 8.677 -3.323 17.881 1.00 0.00 C ATOM 479 CG LYS A 27 9.752 -2.966 16.835 1.00 0.00 C ATOM 480 CD LYS A 27 11.149 -2.652 17.405 1.00 0.00 C ATOM 481 CE LYS A 27 12.086 -3.872 17.416 1.00 0.00 C ATOM 482 NZ LYS A 27 11.847 -4.786 18.565 1.00 0.00 N ATOM 0 H LYS A 27 7.366 -1.945 16.251 1.00 0.00 H new ATOM 0 HA LYS A 27 7.114 -2.449 19.113 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.171 -3.708 18.773 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.058 -4.129 17.486 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.842 -3.796 16.134 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.408 -2.103 16.265 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.605 -1.857 16.815 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.043 -2.274 18.422 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.960 -4.427 16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.120 -3.527 17.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.509 -5.587 18.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.994 -4.270 19.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.870 -5.142 18.528 1.00 0.00 H new ATOM 496 N LYS A 28 8.737 0.124 18.103 1.00 0.00 N ATOM 497 CA LYS A 28 9.421 1.366 18.520 1.00 0.00 C ATOM 498 C LYS A 28 8.541 2.244 19.426 1.00 0.00 C ATOM 499 O LYS A 28 7.414 2.614 19.024 1.00 0.00 O ATOM 500 CB LYS A 28 9.930 2.146 17.289 1.00 0.00 C ATOM 501 CG LYS A 28 11.251 1.556 16.767 1.00 0.00 C ATOM 502 CD LYS A 28 11.891 2.422 15.669 1.00 0.00 C ATOM 503 CE LYS A 28 13.405 2.163 15.614 1.00 0.00 C ATOM 504 NZ LYS A 28 14.069 2.945 14.538 1.00 0.00 N ATOM 505 OXT LYS A 28 8.995 2.567 20.547 1.00 0.00 O ATOM 0 H LYS A 28 8.398 0.169 17.142 1.00 0.00 H new ATOM 0 HA LYS A 28 10.284 1.078 19.120 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.178 2.117 16.500 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.075 3.194 17.553 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.951 1.451 17.596 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.068 0.555 16.375 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.439 2.193 14.704 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.701 3.477 15.868 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.851 2.419 16.575 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.585 1.100 15.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.088 2.739 14.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.663 2.683 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.921 3.961 14.705 1.00 0.00 H new TER 519 LYS A 28