USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=2 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+ 180:sc= 0 (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 K(o=0,f=-3.1!) USER MOD Single : A 9 THR OG1 : rot -75:sc= 1.18 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,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 -12.840 9.057 -9.113 1.00 0.00 N ATOM 2 CA LYS A 1 -13.329 7.652 -8.996 1.00 0.00 C ATOM 3 C LYS A 1 -13.009 6.819 -10.247 1.00 0.00 C ATOM 4 O LYS A 1 -12.263 5.845 -10.141 1.00 0.00 O ATOM 5 CB LYS A 1 -14.817 7.567 -8.572 1.00 0.00 C ATOM 6 CG LYS A 1 -15.058 6.268 -7.781 1.00 0.00 C ATOM 7 CD LYS A 1 -16.483 6.112 -7.230 1.00 0.00 C ATOM 8 CE LYS A 1 -17.505 5.807 -8.334 1.00 0.00 C ATOM 9 NZ LYS A 1 -18.754 5.228 -7.770 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.078 9.581 -8.247 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.808 9.056 -9.244 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.292 9.515 -9.930 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.769 7.197 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.081 8.430 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.458 7.592 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.837 5.418 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.354 6.228 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.499 5.310 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.772 7.027 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.739 6.722 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.071 5.111 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -19.425 5.033 -8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.532 4.343 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.180 5.903 -7.103 1.00 0.00 H new ATOM 25 N LYS A 2 -13.532 7.186 -11.431 1.00 0.00 N ATOM 26 CA LYS A 2 -13.242 6.554 -12.739 1.00 0.00 C ATOM 27 C LYS A 2 -11.737 6.556 -13.079 1.00 0.00 C ATOM 28 O LYS A 2 -11.189 7.570 -13.520 1.00 0.00 O ATOM 29 CB LYS A 2 -14.082 7.224 -13.859 1.00 0.00 C ATOM 30 CG LYS A 2 -15.110 6.261 -14.477 1.00 0.00 C ATOM 31 CD LYS A 2 -15.766 6.874 -15.728 1.00 0.00 C ATOM 32 CE LYS A 2 -16.269 5.771 -16.670 1.00 0.00 C ATOM 33 NZ LYS A 2 -16.717 6.328 -17.974 1.00 0.00 N ATOM 0 H LYS A 2 -14.193 7.959 -11.510 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.533 5.506 -12.667 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.601 8.092 -13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.415 7.590 -14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.621 5.324 -14.742 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.877 6.023 -13.741 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.597 7.514 -15.433 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.047 7.505 -16.250 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.474 5.044 -16.838 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.094 5.237 -16.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.050 5.555 -18.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.492 7.003 -17.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.922 6.816 -18.435 1.00 0.00 H new ATOM 47 N LYS A 3 -11.068 5.418 -12.867 1.00 0.00 N ATOM 48 CA LYS A 3 -9.657 5.144 -13.207 1.00 0.00 C ATOM 49 C LYS A 3 -9.505 3.750 -13.825 1.00 0.00 C ATOM 50 O LYS A 3 -10.307 2.850 -13.568 1.00 0.00 O ATOM 51 CB LYS A 3 -8.772 5.297 -11.949 1.00 0.00 C ATOM 52 CG LYS A 3 -8.365 6.756 -11.685 1.00 0.00 C ATOM 53 CD LYS A 3 -7.280 7.260 -12.660 1.00 0.00 C ATOM 54 CE LYS A 3 -7.582 8.665 -13.211 1.00 0.00 C ATOM 55 NZ LYS A 3 -7.793 8.661 -14.684 1.00 0.00 N ATOM 0 H LYS A 3 -11.517 4.614 -12.429 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.328 5.870 -13.951 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.309 4.911 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.875 4.689 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.245 7.394 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.999 6.847 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.317 7.274 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.191 6.560 -13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.471 9.062 -12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.757 9.334 -12.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.993 9.629 -15.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.937 8.307 -15.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.597 8.044 -14.918 1.00 0.00 H new ATOM 69 N ASN A 4 -8.465 3.581 -14.642 1.00 0.00 N ATOM 70 CA ASN A 4 -8.131 2.316 -15.297 1.00 0.00 C ATOM 71 C ASN A 4 -7.657 1.285 -14.253 1.00 0.00 C ATOM 72 O ASN A 4 -6.893 1.633 -13.351 1.00 0.00 O ATOM 73 CB ASN A 4 -7.053 2.611 -16.363 1.00 0.00 C ATOM 74 CG ASN A 4 -6.972 1.553 -17.452 1.00 0.00 C ATOM 75 OD1 ASN A 4 -7.286 0.389 -17.260 1.00 0.00 O ATOM 76 ND2 ASN A 4 -6.553 1.930 -18.640 1.00 0.00 N ATOM 0 H ASN A 4 -7.818 4.335 -14.872 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.004 1.882 -15.785 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.261 3.578 -16.821 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.082 2.693 -15.874 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.491 1.251 -19.398 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.290 2.902 -18.803 1.00 0.00 H new ATOM 83 N TRP A 5 -8.062 0.015 -14.379 1.00 0.00 N ATOM 84 CA TRP A 5 -7.681 -1.066 -13.453 1.00 0.00 C ATOM 85 C TRP A 5 -6.156 -1.220 -13.306 1.00 0.00 C ATOM 86 O TRP A 5 -5.664 -1.572 -12.233 1.00 0.00 O ATOM 87 CB TRP A 5 -8.316 -2.389 -13.907 1.00 0.00 C ATOM 88 CG TRP A 5 -7.755 -2.969 -15.173 1.00 0.00 C ATOM 89 CD1 TRP A 5 -8.250 -2.775 -16.417 1.00 0.00 C ATOM 90 CD2 TRP A 5 -6.564 -3.802 -15.340 1.00 0.00 C ATOM 91 NE1 TRP A 5 -7.444 -3.417 -17.340 1.00 0.00 N ATOM 92 CE2 TRP A 5 -6.383 -4.054 -16.732 1.00 0.00 C ATOM 93 CE3 TRP A 5 -5.601 -4.347 -14.459 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -5.305 -4.802 -17.228 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -4.510 -5.092 -14.946 1.00 0.00 C ATOM 96 CH2 TRP A 5 -4.360 -5.322 -16.325 1.00 0.00 C ATOM 0 H TRP A 5 -8.671 -0.297 -15.135 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.060 -0.795 -12.467 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.200 -3.122 -13.108 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -9.386 -2.232 -14.042 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -9.137 -2.207 -16.653 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.614 -3.419 -18.346 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.704 -4.189 -13.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.202 -4.976 -18.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.782 -5.490 -14.254 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.521 -5.896 -16.690 1.00 0.00 H new ATOM 107 N PHE A 6 -5.402 -0.901 -14.362 1.00 0.00 N ATOM 108 CA PHE A 6 -3.937 -0.904 -14.374 1.00 0.00 C ATOM 109 C PHE A 6 -3.345 0.084 -13.349 1.00 0.00 C ATOM 110 O PHE A 6 -2.363 -0.230 -12.677 1.00 0.00 O ATOM 111 CB PHE A 6 -3.445 -0.605 -15.803 1.00 0.00 C ATOM 112 CG PHE A 6 -2.323 -1.515 -16.269 1.00 0.00 C ATOM 113 CD1 PHE A 6 -1.045 -1.432 -15.686 1.00 0.00 C ATOM 114 CD2 PHE A 6 -2.562 -2.462 -17.285 1.00 0.00 C ATOM 115 CE1 PHE A 6 -0.015 -2.293 -16.110 1.00 0.00 C ATOM 116 CE2 PHE A 6 -1.534 -3.322 -17.711 1.00 0.00 C ATOM 117 CZ PHE A 6 -0.261 -3.239 -17.122 1.00 0.00 C ATOM 0 H PHE A 6 -5.806 -0.626 -15.257 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.587 -1.892 -14.074 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.284 -0.697 -16.493 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.105 0.429 -15.851 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.854 -0.705 -14.910 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.540 -2.528 -17.739 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.964 -2.227 -15.658 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.723 -4.046 -18.490 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.528 -3.901 -17.446 1.00 0.00 H new ATOM 127 N ASP A 7 -3.962 1.258 -13.176 1.00 0.00 N ATOM 128 CA ASP A 7 -3.573 2.268 -12.183 1.00 0.00 C ATOM 129 C ASP A 7 -3.936 1.850 -10.743 1.00 0.00 C ATOM 130 O ASP A 7 -3.203 2.152 -9.799 1.00 0.00 O ATOM 131 CB ASP A 7 -4.222 3.623 -12.536 1.00 0.00 C ATOM 132 CG ASP A 7 -3.169 4.720 -12.773 1.00 0.00 C ATOM 133 OD1 ASP A 7 -2.466 5.107 -11.802 1.00 0.00 O ATOM 134 OD2 ASP A 7 -3.042 5.204 -13.917 1.00 0.00 O ATOM 0 H ASP A 7 -4.766 1.540 -13.736 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.488 2.363 -12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.835 3.510 -13.430 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.888 3.928 -11.729 1.00 0.00 H new ATOM 139 N ILE A 8 -5.034 1.103 -10.565 1.00 0.00 N ATOM 140 CA ILE A 8 -5.452 0.549 -9.262 1.00 0.00 C ATOM 141 C ILE A 8 -4.403 -0.420 -8.686 1.00 0.00 C ATOM 142 O ILE A 8 -4.267 -0.511 -7.466 1.00 0.00 O ATOM 143 CB ILE A 8 -6.855 -0.106 -9.349 1.00 0.00 C ATOM 144 CG1 ILE A 8 -7.931 0.817 -9.971 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.346 -0.595 -7.974 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.146 2.165 -9.267 1.00 0.00 C ATOM 0 H ILE A 8 -5.667 0.861 -11.328 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.526 1.384 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.722 -0.959 -10.015 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.660 1.010 -11.009 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.880 0.280 -9.983 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.332 -1.047 -8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.648 -1.334 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.406 0.250 -7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.921 2.728 -9.788 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.454 1.992 -8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.216 2.733 -9.277 1.00 0.00 H new ATOM 158 N THR A 9 -3.595 -1.087 -9.523 1.00 0.00 N ATOM 159 CA THR A 9 -2.506 -1.964 -9.044 1.00 0.00 C ATOM 160 C THR A 9 -1.480 -1.230 -8.169 1.00 0.00 C ATOM 161 O THR A 9 -1.007 -1.792 -7.181 1.00 0.00 O ATOM 162 CB THR A 9 -1.777 -2.710 -10.175 1.00 0.00 C ATOM 163 OG1 THR A 9 -0.946 -1.862 -10.939 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.727 -3.446 -11.121 1.00 0.00 C ATOM 0 H THR A 9 -3.672 -1.038 -10.539 1.00 0.00 H new ATOM 0 HA THR A 9 -3.017 -2.703 -8.427 1.00 0.00 H new ATOM 0 HB THR A 9 -1.161 -3.446 -9.658 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.498 -1.312 -11.533 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.150 -3.951 -11.896 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.302 -4.182 -10.559 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.407 -2.730 -11.584 1.00 0.00 H new ATOM 172 N ASN A 10 -1.186 0.042 -8.465 1.00 0.00 N ATOM 173 CA ASN A 10 -0.299 0.893 -7.665 1.00 0.00 C ATOM 174 C ASN A 10 -0.884 1.176 -6.269 1.00 0.00 C ATOM 175 O ASN A 10 -0.177 1.073 -5.263 1.00 0.00 O ATOM 176 CB ASN A 10 0.001 2.192 -8.447 1.00 0.00 C ATOM 177 CG ASN A 10 1.483 2.353 -8.737 1.00 0.00 C ATOM 178 OD1 ASN A 10 2.170 3.192 -8.167 1.00 0.00 O ATOM 179 ND2 ASN A 10 2.027 1.554 -9.627 1.00 0.00 N ATOM 0 H ASN A 10 -1.566 0.517 -9.284 1.00 0.00 H new ATOM 0 HA ASN A 10 0.639 0.366 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.553 2.186 -9.385 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.351 3.050 -7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.021 1.632 -9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.456 0.855 -10.102 1.00 0.00 H new ATOM 186 N TRP A 11 -2.182 1.491 -6.195 1.00 0.00 N ATOM 187 CA TRP A 11 -2.915 1.686 -4.937 1.00 0.00 C ATOM 188 C TRP A 11 -2.993 0.396 -4.105 1.00 0.00 C ATOM 189 O TRP A 11 -2.778 0.434 -2.893 1.00 0.00 O ATOM 190 CB TRP A 11 -4.312 2.247 -5.231 1.00 0.00 C ATOM 191 CG TRP A 11 -4.322 3.650 -5.758 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.563 4.021 -7.038 1.00 0.00 C ATOM 193 CD2 TRP A 11 -4.064 4.889 -5.024 1.00 0.00 C ATOM 194 NE1 TRP A 11 -4.486 5.398 -7.143 1.00 0.00 N ATOM 195 CE2 TRP A 11 -4.178 5.983 -5.933 1.00 0.00 C ATOM 196 CE3 TRP A 11 -3.740 5.197 -3.684 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -3.987 7.315 -5.533 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -3.541 6.531 -3.273 1.00 0.00 C ATOM 199 CH2 TRP A 11 -3.666 7.589 -4.192 1.00 0.00 C ATOM 0 H TRP A 11 -2.764 1.620 -7.023 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.364 2.408 -4.334 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.805 1.598 -5.954 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.903 2.212 -4.316 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.782 3.345 -7.852 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.638 5.916 -8.008 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.643 4.398 -2.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.085 8.119 -6.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.290 6.742 -2.244 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.516 8.608 -3.868 1.00 0.00 H new ATOM 210 N LEU A 12 -3.242 -0.756 -4.739 1.00 0.00 N ATOM 211 CA LEU A 12 -3.247 -2.067 -4.078 1.00 0.00 C ATOM 212 C LEU A 12 -1.877 -2.412 -3.464 1.00 0.00 C ATOM 213 O LEU A 12 -1.815 -2.908 -2.338 1.00 0.00 O ATOM 214 CB LEU A 12 -3.703 -3.153 -5.072 1.00 0.00 C ATOM 215 CG LEU A 12 -5.213 -3.112 -5.378 1.00 0.00 C ATOM 216 CD1 LEU A 12 -5.519 -3.913 -6.643 1.00 0.00 C ATOM 217 CD2 LEU A 12 -6.043 -3.713 -4.241 1.00 0.00 C ATOM 0 H LEU A 12 -3.448 -0.805 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.956 -2.025 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.148 -3.038 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.449 -4.133 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.477 -2.062 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.589 -3.876 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.974 -3.486 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.213 -4.949 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.101 -3.664 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.754 -4.753 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.866 -3.150 -3.324 1.00 0.00 H new ATOM 229 N TRP A 13 -0.773 -2.104 -4.157 1.00 0.00 N ATOM 230 CA TRP A 13 0.591 -2.326 -3.655 1.00 0.00 C ATOM 231 C TRP A 13 0.919 -1.508 -2.388 1.00 0.00 C ATOM 232 O TRP A 13 1.702 -1.953 -1.547 1.00 0.00 O ATOM 233 CB TRP A 13 1.607 -2.047 -4.779 1.00 0.00 C ATOM 234 CG TRP A 13 2.800 -2.957 -4.804 1.00 0.00 C ATOM 235 CD1 TRP A 13 2.772 -4.244 -5.219 1.00 0.00 C ATOM 236 CD2 TRP A 13 4.190 -2.685 -4.438 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.037 -4.792 -5.124 1.00 0.00 N ATOM 238 CE2 TRP A 13 4.950 -3.876 -4.647 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.895 -1.557 -3.960 1.00 0.00 C ATOM 240 CZ2 TRP A 13 6.326 -3.953 -4.384 1.00 0.00 C ATOM 241 CZ3 TRP A 13 6.279 -1.621 -3.694 1.00 0.00 C ATOM 242 CH2 TRP A 13 6.994 -2.815 -3.901 1.00 0.00 C ATOM 0 H TRP A 13 -0.801 -1.691 -5.089 1.00 0.00 H new ATOM 0 HA TRP A 13 0.659 -3.371 -3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.093 -2.122 -5.738 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.956 -1.019 -4.684 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.894 -4.765 -5.571 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.266 -5.754 -5.375 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.365 -0.630 -3.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.864 -4.874 -4.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.794 -0.745 -3.328 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.052 -2.857 -3.689 1.00 0.00 H new ATOM 253 N TYR A 14 0.285 -0.342 -2.198 1.00 0.00 N ATOM 254 CA TYR A 14 0.505 0.523 -1.028 1.00 0.00 C ATOM 255 C TYR A 14 -0.099 -0.048 0.272 1.00 0.00 C ATOM 256 O TYR A 14 0.439 0.157 1.361 1.00 0.00 O ATOM 257 CB TYR A 14 -0.030 1.933 -1.318 1.00 0.00 C ATOM 258 CG TYR A 14 0.024 2.882 -0.132 1.00 0.00 C ATOM 259 CD1 TYR A 14 1.253 3.166 0.497 1.00 0.00 C ATOM 260 CD2 TYR A 14 -1.167 3.446 0.367 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.290 4.001 1.631 1.00 0.00 C ATOM 262 CE2 TYR A 14 -1.132 4.295 1.492 1.00 0.00 C ATOM 263 CZ TYR A 14 0.098 4.571 2.130 1.00 0.00 C ATOM 264 OH TYR A 14 0.142 5.384 3.222 1.00 0.00 O ATOM 0 H TYR A 14 -0.400 0.031 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 14 1.580 0.571 -0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.543 2.364 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.063 1.854 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.168 2.743 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.109 3.227 -0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.231 4.206 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.045 4.734 1.866 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.763 5.694 3.436 1.00 0.00 H new ATOM 274 N ILE A 15 -1.173 -0.838 0.169 1.00 0.00 N ATOM 275 CA ILE A 15 -1.801 -1.543 1.302 1.00 0.00 C ATOM 276 C ILE A 15 -0.781 -2.475 1.987 1.00 0.00 C ATOM 277 O ILE A 15 -0.695 -2.519 3.216 1.00 0.00 O ATOM 278 CB ILE A 15 -3.066 -2.300 0.833 1.00 0.00 C ATOM 279 CG1 ILE A 15 -4.065 -1.349 0.125 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.763 -2.993 2.019 1.00 0.00 C ATOM 281 CD1 ILE A 15 -5.141 -2.090 -0.672 1.00 0.00 C ATOM 0 H ILE A 15 -1.643 -1.012 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.121 -0.813 2.046 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.742 -3.057 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.546 -0.717 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.515 -0.689 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.649 -3.518 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.078 -3.706 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.056 -2.246 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.808 -1.367 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.668 -2.702 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.715 -2.730 -0.001 1.00 0.00 H new ATOM 293 N LYS A 16 0.041 -3.182 1.195 1.00 0.00 N ATOM 294 CA LYS A 16 1.140 -4.043 1.671 1.00 0.00 C ATOM 295 C LYS A 16 2.286 -3.227 2.298 1.00 0.00 C ATOM 296 O LYS A 16 2.860 -3.646 3.303 1.00 0.00 O ATOM 297 CB LYS A 16 1.643 -4.894 0.490 1.00 0.00 C ATOM 298 CG LYS A 16 2.452 -6.142 0.899 1.00 0.00 C ATOM 299 CD LYS A 16 1.632 -7.441 0.789 1.00 0.00 C ATOM 300 CE LYS A 16 2.538 -8.684 0.807 1.00 0.00 C ATOM 301 NZ LYS A 16 2.425 -9.468 2.067 1.00 0.00 N ATOM 0 H LYS A 16 -0.041 -3.171 0.178 1.00 0.00 H new ATOM 0 HA LYS A 16 0.763 -4.692 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.786 -5.211 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.263 -4.270 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.337 -6.220 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.802 -6.023 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.922 -7.495 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.049 -7.428 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.283 -9.325 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.574 -8.374 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.058 -10.292 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.694 -8.869 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.444 -9.791 2.188 1.00 0.00 H new ATOM 315 N LEU A 17 2.590 -2.041 1.755 1.00 0.00 N ATOM 316 CA LEU A 17 3.587 -1.112 2.312 1.00 0.00 C ATOM 317 C LEU A 17 3.261 -0.684 3.747 1.00 0.00 C ATOM 318 O LEU A 17 4.171 -0.629 4.569 1.00 0.00 O ATOM 319 CB LEU A 17 3.770 0.133 1.419 1.00 0.00 C ATOM 320 CG LEU A 17 5.036 0.154 0.548 1.00 0.00 C ATOM 321 CD1 LEU A 17 6.334 0.105 1.358 1.00 0.00 C ATOM 322 CD2 LEU A 17 5.042 -0.976 -0.474 1.00 0.00 C ATOM 0 H LEU A 17 2.146 -1.693 0.905 1.00 0.00 H new ATOM 0 HA LEU A 17 4.526 -1.666 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.902 0.219 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.777 1.016 2.057 1.00 0.00 H new ATOM 0 HG LEU A 17 5.002 1.113 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.187 0.123 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.381 0.968 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.360 -0.810 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.954 -0.924 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.000 -1.935 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.176 -0.879 -1.129 1.00 0.00 H new ATOM 334 N PHE A 18 1.992 -0.431 4.084 1.00 0.00 N ATOM 335 CA PHE A 18 1.588 -0.120 5.463 1.00 0.00 C ATOM 336 C PHE A 18 2.055 -1.202 6.457 1.00 0.00 C ATOM 337 O PHE A 18 2.632 -0.882 7.497 1.00 0.00 O ATOM 338 CB PHE A 18 0.069 0.082 5.533 1.00 0.00 C ATOM 339 CG PHE A 18 -0.427 0.502 6.906 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.505 1.868 7.241 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.789 -0.471 7.858 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.951 2.258 8.517 1.00 0.00 C ATOM 343 CE2 PHE A 18 -1.227 -0.080 9.138 1.00 0.00 C ATOM 344 CZ PHE A 18 -1.314 1.284 9.465 1.00 0.00 C ATOM 0 H PHE A 18 1.221 -0.435 3.417 1.00 0.00 H new ATOM 0 HA PHE A 18 2.078 0.808 5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.222 0.838 4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.426 -0.846 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.222 2.617 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.731 -1.519 7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.015 3.306 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.496 -0.829 9.869 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.659 1.584 10.443 1.00 0.00 H new ATOM 354 N ILE A 19 1.869 -2.482 6.110 1.00 0.00 N ATOM 355 CA ILE A 19 2.312 -3.636 6.911 1.00 0.00 C ATOM 356 C ILE A 19 3.840 -3.626 7.089 1.00 0.00 C ATOM 357 O ILE A 19 4.328 -3.856 8.193 1.00 0.00 O ATOM 358 CB ILE A 19 1.830 -4.975 6.296 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.303 -4.974 6.031 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.209 -6.142 7.229 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.182 -6.167 5.196 1.00 0.00 C ATOM 0 H ILE A 19 1.397 -2.752 5.247 1.00 0.00 H new ATOM 0 HA ILE A 19 1.856 -3.548 7.897 1.00 0.00 H new ATOM 0 HB ILE A 19 2.326 -5.099 5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.222 -4.974 6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.033 -4.050 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.869 -7.081 6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.291 -6.171 7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.735 -6.000 8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.260 -6.097 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.314 -6.158 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.055 -7.095 5.716 1.00 0.00 H new ATOM 373 N MET A 20 4.601 -3.320 6.032 1.00 0.00 N ATOM 374 CA MET A 20 6.067 -3.200 6.076 1.00 0.00 C ATOM 375 C MET A 20 6.535 -2.032 6.963 1.00 0.00 C ATOM 376 O MET A 20 7.425 -2.212 7.797 1.00 0.00 O ATOM 377 CB MET A 20 6.624 -3.053 4.650 1.00 0.00 C ATOM 378 CG MET A 20 6.378 -4.302 3.788 1.00 0.00 C ATOM 379 SD MET A 20 7.827 -5.373 3.571 1.00 0.00 S ATOM 380 CE MET A 20 8.198 -5.027 1.827 1.00 0.00 C ATOM 0 H MET A 20 4.211 -3.145 5.106 1.00 0.00 H new ATOM 0 HA MET A 20 6.457 -4.113 6.526 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.163 -2.189 4.171 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.695 -2.856 4.701 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.576 -4.886 4.240 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.027 -3.985 2.806 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.069 -5.605 1.519 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.342 -5.303 1.211 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.406 -3.964 1.703 1.00 0.00 H new ATOM 390 N ILE A 21 5.930 -0.846 6.814 1.00 0.00 N ATOM 391 CA ILE A 21 6.252 0.367 7.583 1.00 0.00 C ATOM 392 C ILE A 21 5.961 0.148 9.074 1.00 0.00 C ATOM 393 O ILE A 21 6.861 0.277 9.904 1.00 0.00 O ATOM 394 CB ILE A 21 5.470 1.584 7.022 1.00 0.00 C ATOM 395 CG1 ILE A 21 5.909 1.931 5.578 1.00 0.00 C ATOM 396 CG2 ILE A 21 5.662 2.822 7.917 1.00 0.00 C ATOM 397 CD1 ILE A 21 4.886 2.801 4.833 1.00 0.00 C ATOM 0 H ILE A 21 5.182 -0.698 6.137 1.00 0.00 H new ATOM 0 HA ILE A 21 7.316 0.580 7.481 1.00 0.00 H new ATOM 0 HB ILE A 21 4.417 1.303 7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.866 2.452 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.067 1.008 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.104 3.661 7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.298 2.605 8.921 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.721 3.077 7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.250 3.010 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.935 2.272 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.746 3.739 5.371 1.00 0.00 H new ATOM 409 N VAL A 22 4.736 -0.257 9.432 1.00 0.00 N ATOM 410 CA VAL A 22 4.366 -0.533 10.834 1.00 0.00 C ATOM 411 C VAL A 22 5.145 -1.726 11.379 1.00 0.00 C ATOM 412 O VAL A 22 5.603 -1.671 12.513 1.00 0.00 O ATOM 413 CB VAL A 22 2.850 -0.748 11.001 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.453 -1.021 12.460 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.089 0.514 10.567 1.00 0.00 C ATOM 0 H VAL A 22 3.976 -0.403 8.767 1.00 0.00 H new ATOM 0 HA VAL A 22 4.634 0.349 11.415 1.00 0.00 H new ATOM 0 HB VAL A 22 2.596 -1.611 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.374 -1.165 12.523 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.960 -1.919 12.813 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.742 -0.173 13.081 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.018 0.353 10.688 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.401 1.357 11.183 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.307 0.729 9.521 1.00 0.00 H new ATOM 425 N GLY A 23 5.395 -2.760 10.574 1.00 0.00 N ATOM 426 CA GLY A 23 6.190 -3.927 10.966 1.00 0.00 C ATOM 427 C GLY A 23 7.615 -3.594 11.441 1.00 0.00 C ATOM 428 O GLY A 23 8.205 -4.369 12.197 1.00 0.00 O ATOM 0 H GLY A 23 5.046 -2.812 9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.668 -4.456 11.764 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.253 -4.610 10.119 1.00 0.00 H new ATOM 432 N GLY A 24 8.158 -2.438 11.033 1.00 0.00 N ATOM 433 CA GLY A 24 9.460 -1.911 11.462 1.00 0.00 C ATOM 434 C GLY A 24 9.375 -0.748 12.465 1.00 0.00 C ATOM 435 O GLY A 24 10.321 -0.543 13.223 1.00 0.00 O ATOM 0 H GLY A 24 7.685 -1.823 10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.036 -2.720 11.911 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.011 -1.577 10.583 1.00 0.00 H new ATOM 439 N LEU A 25 8.264 0.001 12.510 1.00 0.00 N ATOM 440 CA LEU A 25 8.052 1.121 13.443 1.00 0.00 C ATOM 441 C LEU A 25 7.351 0.727 14.758 1.00 0.00 C ATOM 442 O LEU A 25 7.538 1.410 15.764 1.00 0.00 O ATOM 443 CB LEU A 25 7.266 2.248 12.744 1.00 0.00 C ATOM 444 CG LEU A 25 8.014 2.969 11.604 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.133 4.094 11.061 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.337 3.595 12.055 1.00 0.00 C ATOM 0 H LEU A 25 7.471 -0.156 11.888 1.00 0.00 H new ATOM 0 HA LEU A 25 9.046 1.466 13.726 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.344 1.829 12.342 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.981 2.987 13.493 1.00 0.00 H new ATOM 0 HG LEU A 25 8.234 2.215 10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.656 4.608 10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.201 3.675 10.681 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.913 4.802 11.860 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.814 4.087 11.207 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.144 4.328 12.838 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.995 2.816 12.441 1.00 0.00 H new ATOM 458 N VAL A 26 6.593 -0.375 14.796 1.00 0.00 N ATOM 459 CA VAL A 26 5.893 -0.873 16.000 1.00 0.00 C ATOM 460 C VAL A 26 6.866 -1.216 17.141 1.00 0.00 C ATOM 461 O VAL A 26 6.546 -1.024 18.316 1.00 0.00 O ATOM 462 CB VAL A 26 4.985 -2.074 15.638 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.755 -3.364 15.323 1.00 0.00 C ATOM 464 CG2 VAL A 26 3.938 -2.365 16.716 1.00 0.00 C ATOM 0 H VAL A 26 6.442 -0.963 13.976 1.00 0.00 H new ATOM 0 HA VAL A 26 5.261 -0.067 16.373 1.00 0.00 H new ATOM 0 HB VAL A 26 4.482 -1.756 14.725 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.050 -4.158 15.079 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.418 -3.194 14.475 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.345 -3.657 16.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.329 -3.216 16.411 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.438 -2.595 17.657 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.300 -1.491 16.849 1.00 0.00 H new ATOM 474 N LYS A 27 8.075 -1.686 16.795 1.00 0.00 N ATOM 475 CA LYS A 27 9.144 -2.082 17.728 1.00 0.00 C ATOM 476 C LYS A 27 10.041 -0.923 18.202 1.00 0.00 C ATOM 477 O LYS A 27 10.693 -1.060 19.239 1.00 0.00 O ATOM 478 CB LYS A 27 9.961 -3.230 17.096 1.00 0.00 C ATOM 479 CG LYS A 27 10.849 -2.814 15.904 1.00 0.00 C ATOM 480 CD LYS A 27 12.302 -2.466 16.286 1.00 0.00 C ATOM 481 CE LYS A 27 13.311 -3.569 15.927 1.00 0.00 C ATOM 482 NZ LYS A 27 13.103 -4.823 16.701 1.00 0.00 N ATOM 0 H LYS A 27 8.346 -1.806 15.819 1.00 0.00 H new ATOM 0 HA LYS A 27 8.664 -2.428 18.643 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.594 -3.673 17.865 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.272 -4.007 16.764 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.861 -3.624 15.175 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.398 -1.951 15.414 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.590 -1.543 15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.352 -2.274 17.358 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.236 -3.789 14.862 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.321 -3.202 16.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.812 -5.529 16.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.201 -4.624 17.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.150 -5.194 16.512 1.00 0.00 H new ATOM 496 N LYS A 28 10.092 0.195 17.461 1.00 0.00 N ATOM 497 CA LYS A 28 10.883 1.401 17.782 1.00 0.00 C ATOM 498 C LYS A 28 10.224 2.250 18.881 1.00 0.00 C ATOM 499 O LYS A 28 10.884 2.481 19.921 1.00 0.00 O ATOM 500 CB LYS A 28 11.148 2.238 16.517 1.00 0.00 C ATOM 501 CG LYS A 28 12.130 1.561 15.543 1.00 0.00 C ATOM 502 CD LYS A 28 12.607 2.538 14.456 1.00 0.00 C ATOM 503 CE LYS A 28 13.704 3.470 15.000 1.00 0.00 C ATOM 504 NZ LYS A 28 13.762 4.759 14.264 1.00 0.00 N ATOM 505 OXT LYS A 28 9.068 2.694 18.706 1.00 0.00 O ATOM 0 H LYS A 28 9.567 0.291 16.592 1.00 0.00 H new ATOM 0 HA LYS A 28 11.842 1.062 18.174 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.204 2.420 16.004 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.546 3.210 16.808 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.990 1.182 16.096 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.647 0.702 15.076 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.989 1.980 13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.765 3.131 14.099 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.521 3.665 16.057 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.670 2.970 14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.515 5.354 14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.962 4.577 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.849 5.250 14.351 1.00 0.00 H new TER 519 LYS A 28