USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 244 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 ASN : amide:sc=-0.00298 X(o=-0.003,f=0) USER MOD Single : A 1 ASN N :NH3+ 159:sc=0.000712 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 129:sc= 0.0816 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= -0.0508 (180deg=-0.231) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 10.299 -5.631 15.486 1.00 0.00 N ATOM 2 CA ASN A 1 9.192 -6.336 16.188 1.00 0.00 C ATOM 3 C ASN A 1 8.830 -7.623 15.443 1.00 0.00 C ATOM 4 O ASN A 1 8.808 -7.627 14.214 1.00 0.00 O ATOM 5 CB ASN A 1 7.948 -5.428 16.361 1.00 0.00 C ATOM 6 CG ASN A 1 7.435 -5.448 17.798 1.00 0.00 C ATOM 7 OD1 ASN A 1 6.354 -5.941 18.088 1.00 0.00 O ATOM 8 ND2 ASN A 1 8.192 -4.931 18.749 1.00 0.00 N ATOM 0 H1 ASN A 1 10.303 -4.629 15.763 1.00 0.00 H new ATOM 0 H2 ASN A 1 11.207 -6.066 15.746 1.00 0.00 H new ATOM 0 H3 ASN A 1 10.161 -5.705 14.458 1.00 0.00 H new ATOM 0 HA ASN A 1 9.541 -6.594 17.188 1.00 0.00 H new ATOM 0 HB2 ASN A 1 8.200 -4.406 16.078 1.00 0.00 H new ATOM 0 HB3 ASN A 1 7.158 -5.760 15.687 1.00 0.00 H new ATOM 0 HD21 ASN A 1 7.874 -4.945 19.718 1.00 0.00 H new ATOM 0 HD22 ASN A 1 9.095 -4.518 18.514 1.00 0.00 H new ATOM 17 N GLU A 2 8.531 -8.723 16.141 1.00 0.00 N ATOM 18 CA GLU A 2 8.203 -10.007 15.490 1.00 0.00 C ATOM 19 C GLU A 2 6.813 -9.993 14.817 1.00 0.00 C ATOM 20 O GLU A 2 6.656 -10.488 13.701 1.00 0.00 O ATOM 21 CB GLU A 2 8.324 -11.150 16.513 1.00 0.00 C ATOM 22 CG GLU A 2 8.668 -12.486 15.832 1.00 0.00 C ATOM 23 CD GLU A 2 8.805 -13.673 16.814 1.00 0.00 C ATOM 24 OE1 GLU A 2 8.538 -13.535 18.033 1.00 0.00 O ATOM 25 OE2 GLU A 2 9.192 -14.779 16.359 1.00 0.00 O ATOM 0 H GLU A 2 8.508 -8.755 17.160 1.00 0.00 H new ATOM 0 HA GLU A 2 8.921 -10.170 14.687 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.094 -10.905 17.244 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.386 -11.250 17.060 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.894 -12.720 15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.602 -12.372 15.282 1.00 0.00 H new ATOM 32 N GLN A 3 5.817 -9.358 15.453 1.00 0.00 N ATOM 33 CA GLN A 3 4.462 -9.176 14.908 1.00 0.00 C ATOM 34 C GLN A 3 4.436 -8.317 13.629 1.00 0.00 C ATOM 35 O GLN A 3 3.556 -8.492 12.787 1.00 0.00 O ATOM 36 CB GLN A 3 3.526 -8.559 15.970 1.00 0.00 C ATOM 37 CG GLN A 3 2.889 -9.578 16.933 1.00 0.00 C ATOM 38 CD GLN A 3 3.777 -9.990 18.109 1.00 0.00 C ATOM 39 OE1 GLN A 3 4.836 -10.585 17.963 1.00 0.00 O ATOM 40 NE2 GLN A 3 3.374 -9.720 19.334 1.00 0.00 N ATOM 0 H GLN A 3 5.933 -8.948 16.380 1.00 0.00 H new ATOM 0 HA GLN A 3 4.107 -10.170 14.636 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.090 -7.831 16.553 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.731 -8.013 15.462 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.963 -9.157 17.325 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.620 -10.471 16.369 1.00 0.00 H new ATOM 0 HE21 GLN A 3 2.495 -9.225 19.484 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.941 -10.006 20.132 1.00 0.00 H new ATOM 49 N GLU A 4 5.414 -7.426 13.434 1.00 0.00 N ATOM 50 CA GLU A 4 5.546 -6.634 12.204 1.00 0.00 C ATOM 51 C GLU A 4 5.713 -7.540 10.975 1.00 0.00 C ATOM 52 O GLU A 4 5.058 -7.319 9.960 1.00 0.00 O ATOM 53 CB GLU A 4 6.724 -5.658 12.341 1.00 0.00 C ATOM 54 CG GLU A 4 6.936 -4.772 11.101 1.00 0.00 C ATOM 55 CD GLU A 4 6.891 -3.268 11.438 1.00 0.00 C ATOM 56 OE1 GLU A 4 7.724 -2.795 12.251 1.00 0.00 O ATOM 57 OE2 GLU A 4 6.032 -2.543 10.881 1.00 0.00 O ATOM 0 H GLU A 4 6.138 -7.233 14.126 1.00 0.00 H new ATOM 0 HA GLU A 4 4.631 -6.060 12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.558 -5.020 13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.635 -6.225 12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.898 -5.011 10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.169 -4.999 10.361 1.00 0.00 H new ATOM 64 N LEU A 5 6.525 -8.602 11.081 1.00 0.00 N ATOM 65 CA LEU A 5 6.759 -9.583 10.013 1.00 0.00 C ATOM 66 C LEU A 5 5.468 -10.300 9.562 1.00 0.00 C ATOM 67 O LEU A 5 5.363 -10.727 8.413 1.00 0.00 O ATOM 68 CB LEU A 5 7.864 -10.555 10.473 1.00 0.00 C ATOM 69 CG LEU A 5 8.578 -11.286 9.313 1.00 0.00 C ATOM 70 CD1 LEU A 5 10.066 -11.444 9.635 1.00 0.00 C ATOM 71 CD2 LEU A 5 8.016 -12.686 9.057 1.00 0.00 C ATOM 0 H LEU A 5 7.049 -8.807 11.932 1.00 0.00 H new ATOM 0 HA LEU A 5 7.099 -9.062 9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.604 -10.001 11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.427 -11.296 11.142 1.00 0.00 H new ATOM 0 HG LEU A 5 8.418 -10.675 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.563 -11.960 8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.515 -10.460 9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.181 -12.025 10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.557 -13.150 8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.132 -13.294 9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.959 -12.613 8.802 1.00 0.00 H new ATOM 83 N LEU A 6 4.462 -10.382 10.440 1.00 0.00 N ATOM 84 CA LEU A 6 3.130 -10.935 10.142 1.00 0.00 C ATOM 85 C LEU A 6 2.218 -9.884 9.479 1.00 0.00 C ATOM 86 O LEU A 6 1.408 -10.215 8.613 1.00 0.00 O ATOM 87 CB LEU A 6 2.497 -11.494 11.433 1.00 0.00 C ATOM 88 CG LEU A 6 3.264 -12.684 12.048 1.00 0.00 C ATOM 89 CD1 LEU A 6 2.759 -12.956 13.466 1.00 0.00 C ATOM 90 CD2 LEU A 6 3.081 -13.966 11.229 1.00 0.00 C ATOM 0 H LEU A 6 4.551 -10.058 11.403 1.00 0.00 H new ATOM 0 HA LEU A 6 3.244 -11.750 9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.437 -10.694 12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.475 -11.807 11.218 1.00 0.00 H new ATOM 0 HG LEU A 6 4.320 -12.412 12.055 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.306 -13.797 13.892 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.915 -12.072 14.084 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.696 -13.193 13.434 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.637 -14.779 11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.023 -14.225 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.453 -13.807 10.217 1.00 0.00 H new ATOM 102 N GLU A 7 2.372 -8.610 9.847 1.00 0.00 N ATOM 103 CA GLU A 7 1.676 -7.455 9.261 1.00 0.00 C ATOM 104 C GLU A 7 2.268 -7.000 7.909 1.00 0.00 C ATOM 105 O GLU A 7 1.722 -6.091 7.287 1.00 0.00 O ATOM 106 CB GLU A 7 1.660 -6.287 10.267 1.00 0.00 C ATOM 107 CG GLU A 7 0.619 -6.511 11.376 1.00 0.00 C ATOM 108 CD GLU A 7 0.530 -5.340 12.380 1.00 0.00 C ATOM 109 OE1 GLU A 7 1.500 -4.561 12.538 1.00 0.00 O ATOM 110 OE2 GLU A 7 -0.533 -5.196 13.035 1.00 0.00 O ATOM 0 H GLU A 7 3.012 -8.340 10.594 1.00 0.00 H new ATOM 0 HA GLU A 7 0.656 -7.776 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.649 -6.176 10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.440 -5.357 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.359 -6.664 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.866 -7.425 11.916 1.00 0.00 H new ATOM 117 N LEU A 8 3.334 -7.627 7.395 1.00 0.00 N ATOM 118 CA LEU A 8 3.915 -7.320 6.075 1.00 0.00 C ATOM 119 C LEU A 8 2.868 -7.270 4.949 1.00 0.00 C ATOM 120 O LEU A 8 2.972 -6.423 4.068 1.00 0.00 O ATOM 121 CB LEU A 8 5.016 -8.343 5.723 1.00 0.00 C ATOM 122 CG LEU A 8 6.463 -7.813 5.753 1.00 0.00 C ATOM 123 CD1 LEU A 8 6.816 -7.128 7.070 1.00 0.00 C ATOM 124 CD2 LEU A 8 7.418 -8.987 5.529 1.00 0.00 C ATOM 0 H LEU A 8 3.826 -8.372 7.888 1.00 0.00 H new ATOM 0 HA LEU A 8 4.345 -6.322 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.942 -9.180 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.814 -8.736 4.727 1.00 0.00 H new ATOM 0 HG LEU A 8 6.557 -7.065 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.847 -6.776 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.149 -6.281 7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.705 -7.837 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.447 -8.628 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.277 -9.726 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.211 -9.445 4.562 1.00 0.00 H new ATOM 136 N ASP A 9 1.845 -8.131 4.979 1.00 0.00 N ATOM 137 CA ASP A 9 0.743 -8.135 4.004 1.00 0.00 C ATOM 138 C ASP A 9 -0.121 -6.852 4.076 1.00 0.00 C ATOM 139 O ASP A 9 -0.525 -6.303 3.049 1.00 0.00 O ATOM 140 CB ASP A 9 -0.101 -9.398 4.221 1.00 0.00 C ATOM 141 CG ASP A 9 -0.883 -9.787 2.956 1.00 0.00 C ATOM 142 OD1 ASP A 9 -2.012 -9.280 2.753 1.00 0.00 O ATOM 143 OD2 ASP A 9 -0.376 -10.620 2.167 1.00 0.00 O ATOM 0 H ASP A 9 1.756 -8.856 5.691 1.00 0.00 H new ATOM 0 HA ASP A 9 1.167 -8.145 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.548 -10.223 4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.798 -9.233 5.043 1.00 0.00 H new ATOM 148 N LYS A 10 -0.363 -6.336 5.291 1.00 0.00 N ATOM 149 CA LYS A 10 -1.070 -5.070 5.562 1.00 0.00 C ATOM 150 C LYS A 10 -0.269 -3.888 5.005 1.00 0.00 C ATOM 151 O LYS A 10 -0.827 -3.023 4.328 1.00 0.00 O ATOM 152 CB LYS A 10 -1.354 -4.975 7.078 1.00 0.00 C ATOM 153 CG LYS A 10 -1.945 -3.656 7.612 1.00 0.00 C ATOM 154 CD LYS A 10 -0.878 -2.599 7.970 1.00 0.00 C ATOM 155 CE LYS A 10 -1.338 -1.682 9.114 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.449 -0.777 8.716 1.00 0.00 N ATOM 0 H LYS A 10 -0.061 -6.805 6.145 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.033 -5.040 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.038 -5.781 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.420 -5.163 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.619 -3.240 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.545 -3.869 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.047 -3.100 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.655 -1.996 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.658 -2.294 9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.493 -1.084 9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.719 -0.182 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.139 -0.172 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.267 -1.344 8.415 1.00 0.00 H new ATOM 170 N TRP A 11 1.047 -3.875 5.232 1.00 0.00 N ATOM 171 CA TRP A 11 1.960 -2.863 4.685 1.00 0.00 C ATOM 172 C TRP A 11 2.198 -2.979 3.174 1.00 0.00 C ATOM 173 O TRP A 11 2.386 -1.958 2.511 1.00 0.00 O ATOM 174 CB TRP A 11 3.289 -2.901 5.438 1.00 0.00 C ATOM 175 CG TRP A 11 3.168 -2.489 6.871 1.00 0.00 C ATOM 176 CD1 TRP A 11 3.177 -3.318 7.938 1.00 0.00 C ATOM 177 CD2 TRP A 11 2.983 -1.144 7.402 1.00 0.00 C ATOM 178 NE1 TRP A 11 2.990 -2.581 9.093 1.00 0.00 N ATOM 179 CE2 TRP A 11 2.860 -1.234 8.821 1.00 0.00 C ATOM 180 CE3 TRP A 11 2.906 0.141 6.825 1.00 0.00 C ATOM 181 CZ2 TRP A 11 2.657 -0.104 9.628 1.00 0.00 C ATOM 182 CZ3 TRP A 11 2.724 1.284 7.630 1.00 0.00 C ATOM 183 CH2 TRP A 11 2.591 1.165 9.024 1.00 0.00 C ATOM 0 H TRP A 11 1.516 -4.575 5.807 1.00 0.00 H new ATOM 0 HA TRP A 11 1.469 -1.901 4.831 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.697 -3.911 5.390 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.001 -2.245 4.937 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.310 -4.389 7.895 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.953 -2.983 10.030 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.987 0.250 5.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.553 -0.207 10.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.686 2.261 7.171 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.438 2.046 9.630 1.00 0.00 H new ATOM 194 N ALA A 12 2.137 -4.188 2.610 1.00 0.00 N ATOM 195 CA ALA A 12 2.273 -4.433 1.174 1.00 0.00 C ATOM 196 C ALA A 12 1.240 -3.629 0.369 1.00 0.00 C ATOM 197 O ALA A 12 1.593 -2.980 -0.613 1.00 0.00 O ATOM 198 CB ALA A 12 2.198 -5.938 0.885 1.00 0.00 C ATOM 0 H ALA A 12 1.989 -5.040 3.151 1.00 0.00 H new ATOM 0 HA ALA A 12 3.253 -4.084 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.300 -6.108 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.003 -6.450 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.237 -6.326 1.224 1.00 0.00 H new ATOM 204 N SER A 13 -0.021 -3.609 0.815 1.00 0.00 N ATOM 205 CA SER A 13 -1.074 -2.794 0.194 1.00 0.00 C ATOM 206 C SER A 13 -0.923 -1.288 0.475 1.00 0.00 C ATOM 207 O SER A 13 -1.321 -0.477 -0.363 1.00 0.00 O ATOM 208 CB SER A 13 -2.462 -3.269 0.652 1.00 0.00 C ATOM 209 OG SER A 13 -3.246 -3.667 -0.464 1.00 0.00 O ATOM 0 H SER A 13 -0.341 -4.156 1.615 1.00 0.00 H new ATOM 0 HA SER A 13 -0.969 -2.930 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.357 -4.103 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.967 -2.468 1.191 1.00 0.00 H new ATOM 0 HG SER A 13 -4.126 -3.968 -0.155 1.00 0.00 H new ATOM 215 N LEU A 14 -0.328 -0.887 1.611 1.00 0.00 N ATOM 216 CA LEU A 14 -0.089 0.519 1.959 1.00 0.00 C ATOM 217 C LEU A 14 0.877 1.187 0.971 1.00 0.00 C ATOM 218 O LEU A 14 0.520 2.203 0.377 1.00 0.00 O ATOM 219 CB LEU A 14 0.364 0.636 3.428 1.00 0.00 C ATOM 220 CG LEU A 14 0.766 2.077 3.821 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.294 2.409 5.236 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.284 2.298 3.736 1.00 0.00 C ATOM 0 H LEU A 14 0.004 -1.540 2.321 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.026 1.069 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.442 0.299 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.210 -0.030 3.596 1.00 0.00 H new ATOM 0 HG LEU A 14 0.279 2.739 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.589 3.428 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.791 2.322 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.747 1.714 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.519 3.324 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.790 1.609 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.621 2.119 2.715 1.00 0.00 H new ATOM 234 N TRP A 15 2.080 0.641 0.763 1.00 0.00 N ATOM 235 CA TRP A 15 3.004 1.220 -0.219 1.00 0.00 C ATOM 236 C TRP A 15 2.503 1.016 -1.662 1.00 0.00 C ATOM 237 O TRP A 15 2.699 1.883 -2.512 1.00 0.00 O ATOM 238 CB TRP A 15 4.428 0.693 -0.019 1.00 0.00 C ATOM 239 CG TRP A 15 4.695 -0.655 -0.600 1.00 0.00 C ATOM 240 CD1 TRP A 15 4.646 -1.829 0.062 1.00 0.00 C ATOM 241 CD2 TRP A 15 4.991 -0.983 -1.989 1.00 0.00 C ATOM 242 NE1 TRP A 15 4.907 -2.863 -0.821 1.00 0.00 N ATOM 243 CE2 TRP A 15 5.083 -2.399 -2.109 1.00 0.00 C ATOM 244 CE3 TRP A 15 5.142 -0.220 -3.167 1.00 0.00 C ATOM 245 CZ2 TRP A 15 5.303 -3.033 -3.340 1.00 0.00 C ATOM 246 CZ3 TRP A 15 5.370 -0.844 -4.409 1.00 0.00 C ATOM 247 CH2 TRP A 15 5.446 -2.247 -4.498 1.00 0.00 C ATOM 0 H TRP A 15 2.432 -0.183 1.250 1.00 0.00 H new ATOM 0 HA TRP A 15 3.035 2.296 -0.050 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.127 1.405 -0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.638 0.658 1.050 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.436 -1.944 1.115 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.962 -3.846 -0.553 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.082 0.857 -3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.362 -4.110 -3.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.487 -0.243 -5.298 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.614 -2.720 -5.455 1.00 0.00 H new ATOM 258 N ASN A 16 1.799 -0.087 -1.945 1.00 0.00 N ATOM 259 CA ASN A 16 1.184 -0.331 -3.255 1.00 0.00 C ATOM 260 C ASN A 16 0.100 0.705 -3.616 1.00 0.00 C ATOM 261 O ASN A 16 -0.042 1.041 -4.794 1.00 0.00 O ATOM 262 CB ASN A 16 0.629 -1.760 -3.291 1.00 0.00 C ATOM 263 CG ASN A 16 0.058 -2.136 -4.645 1.00 0.00 C ATOM 264 OD1 ASN A 16 -1.122 -1.981 -4.925 1.00 0.00 O ATOM 265 ND2 ASN A 16 0.886 -2.660 -5.517 1.00 0.00 N ATOM 0 H ASN A 16 1.640 -0.836 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 16 1.957 -0.219 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.423 -2.460 -3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.148 -1.862 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.547 -2.942 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.869 -2.786 -5.275 1.00 0.00 H new ATOM 272 N TRP A 17 -0.623 1.272 -2.638 1.00 0.00 N ATOM 273 CA TRP A 17 -1.598 2.343 -2.889 1.00 0.00 C ATOM 274 C TRP A 17 -0.984 3.543 -3.624 1.00 0.00 C ATOM 275 O TRP A 17 -1.618 4.074 -4.530 1.00 0.00 O ATOM 276 CB TRP A 17 -2.330 2.776 -1.612 1.00 0.00 C ATOM 277 CG TRP A 17 -2.804 4.203 -1.600 1.00 0.00 C ATOM 278 CD1 TRP A 17 -3.733 4.756 -2.417 1.00 0.00 C ATOM 279 CD2 TRP A 17 -2.265 5.307 -0.817 1.00 0.00 C ATOM 280 NE1 TRP A 17 -3.850 6.105 -2.140 1.00 0.00 N ATOM 281 CE2 TRP A 17 -2.960 6.501 -1.168 1.00 0.00 C ATOM 282 CE3 TRP A 17 -1.213 5.424 0.111 1.00 0.00 C ATOM 283 CZ2 TRP A 17 -2.656 7.745 -0.594 1.00 0.00 C ATOM 284 CZ3 TRP A 17 -0.917 6.661 0.718 1.00 0.00 C ATOM 285 CH2 TRP A 17 -1.634 7.820 0.368 1.00 0.00 C ATOM 0 H TRP A 17 -0.549 1.003 -1.657 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.345 1.916 -3.558 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.190 2.123 -1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -1.666 2.623 -0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.296 4.224 -3.170 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.513 6.729 -2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.625 4.554 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -3.199 8.631 -0.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.133 6.720 1.458 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.400 8.764 0.837 1.00 0.00 H new ATOM 296 N PHE A 18 0.260 3.928 -3.331 1.00 0.00 N ATOM 297 CA PHE A 18 0.966 5.013 -4.034 1.00 0.00 C ATOM 298 C PHE A 18 1.074 4.779 -5.553 1.00 0.00 C ATOM 299 O PHE A 18 1.268 5.723 -6.318 1.00 0.00 O ATOM 300 CB PHE A 18 2.363 5.200 -3.430 1.00 0.00 C ATOM 301 CG PHE A 18 2.381 5.705 -2.003 1.00 0.00 C ATOM 302 CD1 PHE A 18 2.154 4.803 -0.953 1.00 0.00 C ATOM 303 CD2 PHE A 18 2.660 7.053 -1.717 1.00 0.00 C ATOM 304 CE1 PHE A 18 2.234 5.228 0.384 1.00 0.00 C ATOM 305 CE2 PHE A 18 2.732 7.487 -0.379 1.00 0.00 C ATOM 306 CZ PHE A 18 2.531 6.572 0.670 1.00 0.00 C ATOM 0 H PHE A 18 0.815 3.494 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 18 0.374 5.918 -3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.890 4.246 -3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.921 5.898 -4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.916 3.773 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.819 7.755 -2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.068 4.526 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.942 8.523 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.605 6.902 1.696 1.00 0.00 H new ATOM 316 N ASN A 19 0.975 3.527 -6.003 1.00 0.00 N ATOM 317 CA ASN A 19 0.953 3.167 -7.417 1.00 0.00 C ATOM 318 C ASN A 19 -0.426 3.467 -8.051 1.00 0.00 C ATOM 319 O ASN A 19 -0.498 4.154 -9.070 1.00 0.00 O ATOM 320 CB ASN A 19 1.401 1.704 -7.546 1.00 0.00 C ATOM 321 CG ASN A 19 2.054 1.444 -8.894 1.00 0.00 C ATOM 322 OD1 ASN A 19 3.262 1.554 -9.054 1.00 0.00 O ATOM 323 ND2 ASN A 19 1.295 1.115 -9.915 1.00 0.00 N ATOM 0 H ASN A 19 0.907 2.721 -5.381 1.00 0.00 H new ATOM 0 HA ASN A 19 1.652 3.780 -7.986 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.103 1.464 -6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.541 1.046 -7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.714 0.954 -10.831 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.287 1.021 -9.792 1.00 0.00 H new ATOM 330 N ILE A 20 -1.529 3.000 -7.439 1.00 0.00 N ATOM 331 CA ILE A 20 -2.906 3.249 -7.918 1.00 0.00 C ATOM 332 C ILE A 20 -3.432 4.662 -7.606 1.00 0.00 C ATOM 333 O ILE A 20 -4.279 5.166 -8.337 1.00 0.00 O ATOM 334 CB ILE A 20 -3.886 2.145 -7.462 1.00 0.00 C ATOM 335 CG1 ILE A 20 -5.216 2.188 -8.258 1.00 0.00 C ATOM 336 CG2 ILE A 20 -4.167 2.212 -5.955 1.00 0.00 C ATOM 337 CD1 ILE A 20 -5.562 0.852 -8.925 1.00 0.00 C ATOM 0 H ILE A 20 -1.492 2.434 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.847 3.203 -9.005 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.395 1.195 -7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.026 2.472 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.150 2.962 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.861 1.418 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.234 2.087 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.606 3.179 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.503 0.948 -9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.770 0.577 -9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.659 0.079 -8.163 1.00 0.00 H new ATOM 349 N THR A 21 -2.900 5.365 -6.601 1.00 0.00 N ATOM 350 CA THR A 21 -3.279 6.760 -6.284 1.00 0.00 C ATOM 351 C THR A 21 -3.087 7.692 -7.481 1.00 0.00 C ATOM 352 O THR A 21 -3.813 8.675 -7.628 1.00 0.00 O ATOM 353 CB THR A 21 -2.551 7.290 -5.037 1.00 0.00 C ATOM 354 OG1 THR A 21 -3.341 8.260 -4.383 1.00 0.00 O ATOM 355 CG2 THR A 21 -1.189 7.911 -5.323 1.00 0.00 C ATOM 0 H THR A 21 -2.189 4.986 -5.976 1.00 0.00 H new ATOM 0 HA THR A 21 -4.344 6.746 -6.052 1.00 0.00 H new ATOM 0 HB THR A 21 -2.388 6.413 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.420 8.031 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.745 8.259 -4.390 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.538 7.166 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.309 8.754 -6.004 1.00 0.00 H new ATOM 363 N ASN A 22 -2.144 7.360 -8.370 1.00 0.00 N ATOM 364 CA ASN A 22 -1.924 8.093 -9.607 1.00 0.00 C ATOM 365 C ASN A 22 -3.060 7.871 -10.619 1.00 0.00 C ATOM 366 O ASN A 22 -3.374 8.806 -11.341 1.00 0.00 O ATOM 367 CB ASN A 22 -0.558 7.715 -10.210 1.00 0.00 C ATOM 368 CG ASN A 22 0.626 8.372 -9.510 1.00 0.00 C ATOM 369 OD1 ASN A 22 0.530 8.971 -8.448 1.00 0.00 O ATOM 370 ND2 ASN A 22 1.794 8.301 -10.106 1.00 0.00 N ATOM 0 H ASN A 22 -1.512 6.569 -8.244 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.920 9.157 -9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.439 6.632 -10.166 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.546 7.995 -11.263 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.610 8.743 -9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.885 7.804 -10.992 1.00 0.00 H new ATOM 377 N TRP A 23 -3.698 6.692 -10.661 1.00 0.00 N ATOM 378 CA TRP A 23 -4.798 6.348 -11.574 1.00 0.00 C ATOM 379 C TRP A 23 -6.036 7.186 -11.286 1.00 0.00 C ATOM 380 O TRP A 23 -6.504 7.919 -12.154 1.00 0.00 O ATOM 381 CB TRP A 23 -5.169 4.863 -11.478 1.00 0.00 C ATOM 382 CG TRP A 23 -4.134 3.897 -11.949 1.00 0.00 C ATOM 383 CD1 TRP A 23 -2.879 3.777 -11.468 1.00 0.00 C ATOM 384 CD2 TRP A 23 -4.261 2.891 -12.993 1.00 0.00 C ATOM 385 NE1 TRP A 23 -2.203 2.799 -12.174 1.00 0.00 N ATOM 386 CE2 TRP A 23 -3.015 2.212 -13.125 1.00 0.00 C ATOM 387 CE3 TRP A 23 -5.316 2.484 -13.832 1.00 0.00 C ATOM 388 CZ2 TRP A 23 -2.820 1.186 -14.063 1.00 0.00 C ATOM 389 CZ3 TRP A 23 -5.139 1.448 -14.768 1.00 0.00 C ATOM 390 CH2 TRP A 23 -3.893 0.802 -14.888 1.00 0.00 C ATOM 0 H TRP A 23 -3.453 5.923 -10.037 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.443 6.561 -12.583 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -5.404 4.634 -10.438 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.079 4.699 -12.054 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.466 4.356 -10.656 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.229 2.543 -12.013 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.275 2.974 -13.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.860 0.698 -14.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.963 1.147 -15.398 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -3.761 0.012 -15.613 1.00 0.00 H new ATOM 401 N LEU A 24 -6.553 7.088 -10.057 1.00 0.00 N ATOM 402 CA LEU A 24 -7.695 7.876 -9.599 1.00 0.00 C ATOM 403 C LEU A 24 -7.460 9.383 -9.777 1.00 0.00 C ATOM 404 O LEU A 24 -8.289 10.043 -10.398 1.00 0.00 O ATOM 405 CB LEU A 24 -8.124 7.487 -8.172 1.00 0.00 C ATOM 406 CG LEU A 24 -6.995 7.334 -7.132 1.00 0.00 C ATOM 407 CD1 LEU A 24 -7.181 8.305 -5.968 1.00 0.00 C ATOM 408 CD2 LEU A 24 -6.948 5.889 -6.639 1.00 0.00 C ATOM 0 H LEU A 24 -6.185 6.453 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.542 7.631 -10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.823 8.240 -7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.670 6.545 -8.225 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.044 7.578 -7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.370 8.174 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.172 9.328 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.134 8.107 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.150 5.781 -5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.902 5.630 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.758 5.223 -7.481 1.00 0.00 H new ATOM 420 N TRP A 25 -6.330 9.921 -9.310 1.00 0.00 N ATOM 421 CA TRP A 25 -5.968 11.328 -9.524 1.00 0.00 C ATOM 422 C TRP A 25 -5.838 11.712 -11.014 1.00 0.00 C ATOM 423 O TRP A 25 -6.253 12.806 -11.395 1.00 0.00 O ATOM 424 CB TRP A 25 -4.679 11.625 -8.751 1.00 0.00 C ATOM 425 CG TRP A 25 -3.991 12.906 -9.102 1.00 0.00 C ATOM 426 CD1 TRP A 25 -4.444 14.158 -8.865 1.00 0.00 C ATOM 427 CD2 TRP A 25 -2.726 13.058 -9.807 1.00 0.00 C ATOM 428 NE1 TRP A 25 -3.543 15.074 -9.379 1.00 0.00 N ATOM 429 CE2 TRP A 25 -2.463 14.449 -9.971 1.00 0.00 C ATOM 430 CE3 TRP A 25 -1.784 12.150 -10.334 1.00 0.00 C ATOM 431 CZ2 TRP A 25 -1.312 14.918 -10.623 1.00 0.00 C ATOM 432 CZ3 TRP A 25 -0.620 12.608 -10.980 1.00 0.00 C ATOM 433 CH2 TRP A 25 -0.383 13.989 -11.125 1.00 0.00 C ATOM 0 H TRP A 25 -5.640 9.396 -8.773 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.782 11.946 -9.147 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -4.911 11.639 -7.686 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.982 10.803 -8.915 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -5.364 14.404 -8.355 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.662 16.086 -9.327 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -1.958 11.088 -10.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -1.142 15.978 -10.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.095 11.897 -11.366 1.00 0.00 H new ATOM 0 HH2 TRP A 25 0.512 14.334 -11.621 1.00 0.00 H new ATOM 444 N TYR A 26 -5.315 10.824 -11.871 1.00 0.00 N ATOM 445 CA TYR A 26 -5.213 11.025 -13.323 1.00 0.00 C ATOM 446 C TYR A 26 -6.590 11.235 -13.987 1.00 0.00 C ATOM 447 O TYR A 26 -6.757 12.188 -14.752 1.00 0.00 O ATOM 448 CB TYR A 26 -4.447 9.860 -13.978 1.00 0.00 C ATOM 449 CG TYR A 26 -4.817 9.538 -15.412 1.00 0.00 C ATOM 450 CD1 TYR A 26 -4.317 10.308 -16.480 1.00 0.00 C ATOM 451 CD2 TYR A 26 -5.700 8.472 -15.666 1.00 0.00 C ATOM 452 CE1 TYR A 26 -4.696 10.001 -17.802 1.00 0.00 C ATOM 453 CE2 TYR A 26 -6.074 8.156 -16.984 1.00 0.00 C ATOM 454 CZ TYR A 26 -5.573 8.922 -18.059 1.00 0.00 C ATOM 455 OH TYR A 26 -5.947 8.620 -19.332 1.00 0.00 O ATOM 0 H TYR A 26 -4.942 9.925 -11.566 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.649 11.944 -13.484 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.382 10.087 -13.942 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.603 8.966 -13.375 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.645 11.131 -16.286 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.093 7.893 -14.843 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.315 10.592 -18.622 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.743 7.329 -17.174 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.552 7.849 -19.321 1.00 0.00 H new ATOM 465 N ILE A 27 -7.571 10.357 -13.716 1.00 0.00 N ATOM 466 CA ILE A 27 -8.926 10.472 -14.295 1.00 0.00 C ATOM 467 C ILE A 27 -9.766 11.611 -13.677 1.00 0.00 C ATOM 468 O ILE A 27 -10.662 12.138 -14.345 1.00 0.00 O ATOM 469 CB ILE A 27 -9.709 9.136 -14.252 1.00 0.00 C ATOM 470 CG1 ILE A 27 -9.841 8.542 -12.835 1.00 0.00 C ATOM 471 CG2 ILE A 27 -9.088 8.103 -15.204 1.00 0.00 C ATOM 472 CD1 ILE A 27 -10.867 7.412 -12.697 1.00 0.00 C ATOM 0 H ILE A 27 -7.452 9.555 -13.097 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.757 10.730 -15.340 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.719 9.375 -14.584 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.866 8.167 -12.523 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.110 9.342 -12.146 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.657 7.174 -15.154 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.110 8.488 -16.223 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -8.056 7.912 -14.911 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.886 7.061 -11.665 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.855 7.782 -12.973 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.591 6.588 -13.355 1.00 0.00 H new ATOM 484 N LYS A 28 -9.491 11.990 -12.421 1.00 0.00 N ATOM 485 CA LYS A 28 -10.136 13.094 -11.672 1.00 0.00 C ATOM 486 C LYS A 28 -9.601 14.497 -12.039 1.00 0.00 C ATOM 487 O LYS A 28 -10.120 15.489 -11.476 1.00 0.00 O ATOM 488 CB LYS A 28 -10.016 12.803 -10.160 1.00 0.00 C ATOM 489 CG LYS A 28 -10.936 11.643 -9.734 1.00 0.00 C ATOM 490 CD LYS A 28 -10.581 11.112 -8.333 1.00 0.00 C ATOM 491 CE LYS A 28 -11.383 9.871 -7.899 1.00 0.00 C ATOM 492 NZ LYS A 28 -11.397 8.788 -8.924 1.00 0.00 N ATOM 493 OXT LYS A 28 -8.711 14.631 -12.910 1.00 0.00 O ATOM 0 H LYS A 28 -8.778 11.516 -11.866 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.187 13.126 -11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.982 12.557 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.272 13.699 -9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.973 11.980 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.858 10.833 -10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.519 10.869 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.743 11.907 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.961 9.480 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.409 10.168 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.834 7.935 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.944 9.100 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.422 8.573 -9.215 1.00 0.00 H new TER 507 LYS A 28