USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 271 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 251 LYS NZ :NH3+ 150:sc= -0.13 (180deg=-0.929) USER MOD Set 1.2: A 252 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 227 ASN : amide:sc= -0.0626 K(o=-0.063,f=-0.96) USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 SER OG : rot -93:sc= 1.24 USER MOD Single : A 250 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.026) USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 -1.680 3.090 6.846 1.00 0.00 C HETATM 2 O ACE A 222 -1.757 2.895 5.633 1.00 0.00 O HETATM 3 CH3 ACE A 222 -2.923 3.028 7.727 1.00 0.00 C HETATM 0 H1 ACE A 222 -2.796 2.251 8.481 1.00 0.00 H new HETATM 0 H2 ACE A 222 -3.069 3.990 8.218 1.00 0.00 H new HETATM 0 H3 ACE A 222 -3.794 2.799 7.112 1.00 0.00 H new ATOM 7 N LYS A 223 -0.536 3.360 7.464 1.00 0.00 N ATOM 8 CA LYS A 223 0.718 3.445 6.726 1.00 0.00 C ATOM 9 C LYS A 223 1.210 2.053 6.344 1.00 0.00 C ATOM 10 O LYS A 223 0.666 1.046 6.798 1.00 0.00 O ATOM 11 CB LYS A 223 1.780 4.147 7.577 1.00 0.00 C ATOM 12 CG LYS A 223 1.640 5.662 7.421 1.00 0.00 C ATOM 13 CD LYS A 223 0.221 6.087 7.804 1.00 0.00 C ATOM 14 CE LYS A 223 0.158 7.612 7.916 1.00 0.00 C ATOM 15 NZ LYS A 223 -1.029 8.115 7.168 1.00 0.00 N1+ ATOM 0 H LYS A 223 -0.451 3.523 8.467 1.00 0.00 H new ATOM 0 HA LYS A 223 0.543 4.020 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 223 1.666 3.867 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 223 2.776 3.830 7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 223 2.367 6.172 8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 223 1.853 5.953 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 223 -0.490 5.737 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 223 -0.064 5.630 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 223 0.094 7.908 8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 223 1.069 8.055 7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 -1.073 9.151 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 -0.949 7.844 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 -1.894 7.702 7.571 1.00 0.00 H new ATOM 29 N LYS A 224 2.241 2.003 5.506 1.00 0.00 N ATOM 30 CA LYS A 224 2.798 0.728 5.070 1.00 0.00 C ATOM 31 C LYS A 224 4.322 0.783 5.064 1.00 0.00 C ATOM 32 O LYS A 224 4.914 1.812 4.741 1.00 0.00 O ATOM 33 CB LYS A 224 2.292 0.392 3.666 1.00 0.00 C ATOM 34 CG LYS A 224 2.313 1.652 2.798 1.00 0.00 C ATOM 35 CD LYS A 224 0.939 2.324 2.836 1.00 0.00 C ATOM 36 CE LYS A 224 0.011 1.644 1.827 1.00 0.00 C ATOM 37 NZ LYS A 224 0.051 2.387 0.537 1.00 0.00 N1+ ATOM 0 H LYS A 224 2.705 2.824 5.118 1.00 0.00 H new ATOM 0 HA LYS A 224 2.477 -0.046 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.917 -0.381 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.280 -0.008 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 224 3.076 2.341 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 224 2.575 1.395 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 224 0.516 2.256 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 224 1.034 3.384 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 224 0.319 0.610 1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -1.008 1.619 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -0.580 1.925 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -0.263 3.367 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 1.023 2.389 0.167 1.00 0.00 H new ATOM 51 N LYS A 225 4.950 -0.331 5.425 1.00 0.00 N ATOM 52 CA LYS A 225 6.407 -0.399 5.457 1.00 0.00 C ATOM 53 C LYS A 225 6.873 -1.843 5.609 1.00 0.00 C ATOM 54 O LYS A 225 7.071 -2.328 6.723 1.00 0.00 O ATOM 55 CB LYS A 225 6.942 0.438 6.620 1.00 0.00 C ATOM 56 CG LYS A 225 6.352 -0.077 7.935 1.00 0.00 C ATOM 57 CD LYS A 225 5.760 1.093 8.723 1.00 0.00 C ATOM 58 CE LYS A 225 5.213 0.585 10.059 1.00 0.00 C ATOM 59 NZ LYS A 225 5.018 1.736 10.985 1.00 0.00 N1+ ATOM 0 H LYS A 225 4.478 -1.193 5.698 1.00 0.00 H new ATOM 0 HA LYS A 225 6.792 -0.003 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 225 8.030 0.383 6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 225 6.680 1.486 6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 225 5.581 -0.820 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 225 7.125 -0.571 8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 225 6.523 1.852 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 225 4.964 1.566 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 225 4.268 0.065 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 225 5.904 -0.135 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 4.646 1.392 11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 5.929 2.213 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 4.343 2.407 10.567 1.00 0.00 H new ATOM 73 N ASP A 226 7.047 -2.525 4.481 1.00 0.00 N ATOM 74 CA ASP A 226 7.491 -3.914 4.501 1.00 0.00 C ATOM 75 C ASP A 226 9.010 -3.989 4.609 1.00 0.00 C ATOM 76 O ASP A 226 9.577 -3.799 5.685 1.00 0.00 O ATOM 77 CB ASP A 226 7.029 -4.629 3.230 1.00 0.00 C ATOM 78 CG ASP A 226 5.538 -4.935 3.318 1.00 0.00 C ATOM 79 OD1 ASP A 226 4.822 -4.140 3.904 1.00 0.00 O ATOM 80 OD2 ASP A 226 5.133 -5.962 2.797 1.00 0.00 O1- ATOM 0 H ASP A 226 6.889 -2.142 3.549 1.00 0.00 H new ATOM 0 HA ASP A 226 7.053 -4.404 5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 226 7.230 -4.006 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 226 7.591 -5.553 3.098 1.00 0.00 H new ATOM 85 N ASN A 227 9.665 -4.267 3.486 1.00 0.00 N ATOM 86 CA ASN A 227 11.120 -4.364 3.467 1.00 0.00 C ATOM 87 C ASN A 227 11.628 -4.487 2.033 1.00 0.00 C ATOM 88 O ASN A 227 10.868 -4.806 1.119 1.00 0.00 O ATOM 89 CB ASN A 227 11.573 -5.579 4.276 1.00 0.00 C ATOM 90 CG ASN A 227 10.621 -6.747 4.043 1.00 0.00 C ATOM 91 OD1 ASN A 227 10.373 -7.129 2.900 1.00 0.00 O ATOM 92 ND2 ASN A 227 10.071 -7.341 5.067 1.00 0.00 N ATOM 0 H ASN A 227 9.216 -4.428 2.584 1.00 0.00 H new ATOM 0 HA ASN A 227 11.532 -3.458 3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 227 12.585 -5.861 3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 227 11.602 -5.329 5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 227 9.434 -8.124 4.921 1.00 0.00 H new ATOM 0 HD22 ASN A 227 10.278 -7.022 6.013 1.00 0.00 H new ATOM 99 N LEU A 228 12.920 -4.231 1.845 1.00 0.00 N ATOM 100 CA LEU A 228 13.520 -4.315 0.519 1.00 0.00 C ATOM 101 C LEU A 228 14.300 -5.617 0.366 1.00 0.00 C ATOM 102 O LEU A 228 13.874 -6.668 0.848 1.00 0.00 O ATOM 103 CB LEU A 228 14.457 -3.128 0.294 1.00 0.00 C ATOM 104 CG LEU A 228 13.797 -1.850 0.816 1.00 0.00 C ATOM 105 CD1 LEU A 228 14.392 -1.490 2.179 1.00 0.00 C ATOM 106 CD2 LEU A 228 14.053 -0.706 -0.168 1.00 0.00 C ATOM 0 H LEU A 228 13.566 -3.966 2.588 1.00 0.00 H new ATOM 0 HA LEU A 228 12.722 -4.293 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 228 15.404 -3.296 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 228 14.683 -3.026 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 228 12.724 -2.010 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 228 13.923 -0.580 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 228 14.213 -2.304 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 228 15.465 -1.329 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 228 13.583 0.205 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 228 15.126 -0.546 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 228 13.632 -0.961 -1.140 1.00 0.00 H new ATOM 118 N LEU A 229 15.444 -5.542 -0.306 1.00 0.00 N ATOM 119 CA LEU A 229 16.275 -6.721 -0.516 1.00 0.00 C ATOM 120 C LEU A 229 16.756 -7.281 0.818 1.00 0.00 C ATOM 121 O LEU A 229 16.920 -8.491 0.972 1.00 0.00 O ATOM 122 CB LEU A 229 17.480 -6.364 -1.388 1.00 0.00 C ATOM 123 CG LEU A 229 18.078 -5.037 -0.918 1.00 0.00 C ATOM 124 CD1 LEU A 229 19.603 -5.150 -0.874 1.00 0.00 C ATOM 125 CD2 LEU A 229 17.679 -3.926 -1.890 1.00 0.00 C ATOM 0 H LEU A 229 15.815 -4.683 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 229 15.676 -7.479 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 229 18.230 -7.153 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 229 17.176 -6.288 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 229 17.702 -4.803 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 229 20.028 -4.204 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 229 19.889 -5.942 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 229 19.979 -5.385 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 229 18.105 -2.980 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 229 18.055 -4.161 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 229 16.593 -3.844 -1.922 1.00 0.00 H new ATOM 137 N PHE A 230 16.982 -6.393 1.779 1.00 0.00 N ATOM 138 CA PHE A 230 17.445 -6.809 3.098 1.00 0.00 C ATOM 139 C PHE A 230 16.521 -7.874 3.679 1.00 0.00 C ATOM 140 O PHE A 230 16.975 -8.829 4.308 1.00 0.00 O ATOM 141 CB PHE A 230 17.492 -5.605 4.040 1.00 0.00 C ATOM 142 CG PHE A 230 18.885 -5.021 4.040 1.00 0.00 C ATOM 143 CD1 PHE A 230 19.581 -4.876 2.833 1.00 0.00 C ATOM 144 CD2 PHE A 230 19.481 -4.628 5.243 1.00 0.00 C ATOM 145 CE1 PHE A 230 20.872 -4.334 2.832 1.00 0.00 C ATOM 146 CE2 PHE A 230 20.771 -4.088 5.242 1.00 0.00 C ATOM 147 CZ PHE A 230 21.469 -3.941 4.035 1.00 0.00 C ATOM 0 H PHE A 230 16.853 -5.387 1.671 1.00 0.00 H new ATOM 0 HA PHE A 230 18.446 -7.228 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 230 16.770 -4.852 3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 230 17.213 -5.908 5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 230 19.122 -5.182 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 230 18.944 -4.742 6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 230 21.408 -4.219 1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 230 21.230 -3.784 6.171 1.00 0.00 H new ATOM 0 HZ PHE A 230 22.466 -3.525 4.034 1.00 0.00 H new ATOM 157 N GLY A 231 15.222 -7.702 3.463 1.00 0.00 N ATOM 158 CA GLY A 231 14.240 -8.653 3.968 1.00 0.00 C ATOM 159 C GLY A 231 14.684 -10.087 3.708 1.00 0.00 C ATOM 160 O GLY A 231 14.500 -10.966 4.550 1.00 0.00 O ATOM 0 H GLY A 231 14.826 -6.918 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 231 14.098 -8.501 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 231 13.277 -8.475 3.490 1.00 0.00 H new ATOM 164 N SER A 232 15.272 -10.318 2.539 1.00 0.00 N ATOM 165 CA SER A 232 15.739 -11.653 2.182 1.00 0.00 C ATOM 166 C SER A 232 16.645 -12.208 3.274 1.00 0.00 C ATOM 167 O SER A 232 16.663 -13.412 3.530 1.00 0.00 O ATOM 168 CB SER A 232 16.500 -11.605 0.858 1.00 0.00 C ATOM 169 OG SER A 232 16.882 -12.923 0.488 1.00 0.00 O ATOM 0 H SER A 232 15.436 -9.605 1.828 1.00 0.00 H new ATOM 0 HA SER A 232 14.873 -12.306 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 232 15.875 -11.164 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 232 17.382 -10.972 0.955 1.00 0.00 H new ATOM 0 HG SER A 232 17.369 -12.896 -0.362 1.00 0.00 H new ATOM 175 N ILE A 233 17.392 -11.318 3.915 1.00 0.00 N ATOM 176 CA ILE A 233 18.300 -11.720 4.982 1.00 0.00 C ATOM 177 C ILE A 233 17.605 -11.629 6.336 1.00 0.00 C ATOM 178 O ILE A 233 17.525 -12.614 7.070 1.00 0.00 O ATOM 179 CB ILE A 233 19.536 -10.820 4.978 1.00 0.00 C ATOM 180 CG1 ILE A 233 20.268 -10.968 3.642 1.00 0.00 C ATOM 181 CG2 ILE A 233 20.470 -11.230 6.119 1.00 0.00 C ATOM 182 CD1 ILE A 233 20.726 -9.591 3.155 1.00 0.00 C ATOM 0 H ILE A 233 17.388 -10.318 3.716 1.00 0.00 H new ATOM 0 HA ILE A 233 18.602 -12.753 4.810 1.00 0.00 H new ATOM 0 HB ILE A 233 19.231 -9.782 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 233 21.127 -11.629 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 233 19.610 -11.426 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 233 21.351 -10.588 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 233 19.949 -11.127 7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 233 20.776 -12.267 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 233 21.247 -9.696 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 233 19.858 -8.944 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 233 21.399 -9.150 3.891 1.00 0.00 H new ATOM 194 N ILE A 234 17.102 -10.441 6.660 1.00 0.00 N ATOM 195 CA ILE A 234 16.415 -10.234 7.930 1.00 0.00 C ATOM 196 C ILE A 234 15.218 -11.172 8.048 1.00 0.00 C ATOM 197 O ILE A 234 15.164 -12.013 8.944 1.00 0.00 O ATOM 198 CB ILE A 234 15.942 -8.783 8.036 1.00 0.00 C ATOM 199 CG1 ILE A 234 17.052 -7.845 7.554 1.00 0.00 C ATOM 200 CG2 ILE A 234 15.601 -8.463 9.493 1.00 0.00 C ATOM 201 CD1 ILE A 234 18.372 -8.216 8.232 1.00 0.00 C ATOM 0 H ILE A 234 17.157 -9.614 6.066 1.00 0.00 H new ATOM 0 HA ILE A 234 17.112 -10.448 8.740 1.00 0.00 H new ATOM 0 HB ILE A 234 15.056 -8.645 7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 234 17.156 -7.915 6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 234 16.793 -6.811 7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 234 15.264 -7.429 9.569 1.00 0.00 H new ATOM 0 HG22 ILE A 234 14.809 -9.129 9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 234 16.487 -8.602 10.113 1.00 0.00 H new ATOM 0 HD11 ILE A 234 19.159 -7.546 7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 234 18.265 -8.123 9.313 1.00 0.00 H new ATOM 0 HD13 ILE A 234 18.634 -9.244 7.981 1.00 0.00 H new ATOM 213 N SER A 235 14.261 -11.018 7.139 1.00 0.00 N ATOM 214 CA SER A 235 13.069 -11.858 7.153 1.00 0.00 C ATOM 215 C SER A 235 13.452 -13.333 7.192 1.00 0.00 C ATOM 216 O SER A 235 12.651 -14.184 7.576 1.00 0.00 O ATOM 217 CB SER A 235 12.220 -11.581 5.911 1.00 0.00 C ATOM 218 OG SER A 235 12.560 -12.514 4.893 1.00 0.00 O ATOM 0 H SER A 235 14.286 -10.326 6.390 1.00 0.00 H new ATOM 0 HA SER A 235 12.492 -11.622 8.047 1.00 0.00 H new ATOM 0 HB2 SER A 235 11.161 -11.661 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 235 12.390 -10.563 5.559 1.00 0.00 H new ATOM 0 HG SER A 235 13.255 -12.131 4.317 1.00 0.00 H new ATOM 224 N ALA A 236 14.685 -13.627 6.793 1.00 0.00 N ATOM 225 CA ALA A 236 15.169 -15.003 6.788 1.00 0.00 C ATOM 226 C ALA A 236 15.834 -15.341 8.118 1.00 0.00 C ATOM 227 O ALA A 236 15.832 -16.494 8.547 1.00 0.00 O ATOM 228 CB ALA A 236 16.170 -15.200 5.648 1.00 0.00 C ATOM 0 H ALA A 236 15.363 -12.937 6.471 1.00 0.00 H new ATOM 0 HA ALA A 236 14.318 -15.668 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 236 16.527 -16.230 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 236 15.684 -14.987 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 236 17.014 -14.523 5.784 1.00 0.00 H new ATOM 234 N VAL A 237 16.402 -14.328 8.762 1.00 0.00 N ATOM 235 CA VAL A 237 17.068 -14.528 10.043 1.00 0.00 C ATOM 236 C VAL A 237 16.245 -15.457 10.932 1.00 0.00 C ATOM 237 O VAL A 237 15.074 -15.715 10.655 1.00 0.00 O ATOM 238 CB VAL A 237 17.274 -13.176 10.735 1.00 0.00 C ATOM 239 CG1 VAL A 237 16.059 -12.842 11.604 1.00 0.00 C ATOM 240 CG2 VAL A 237 18.528 -13.235 11.612 1.00 0.00 C ATOM 0 H VAL A 237 16.415 -13.367 8.421 1.00 0.00 H new ATOM 0 HA VAL A 237 18.039 -14.991 9.868 1.00 0.00 H new ATOM 0 HB VAL A 237 17.394 -12.403 9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 237 16.214 -11.880 12.092 1.00 0.00 H new ATOM 0 HG12 VAL A 237 15.167 -12.792 10.979 1.00 0.00 H new ATOM 0 HG13 VAL A 237 15.929 -13.616 12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 237 18.674 -12.273 12.104 1.00 0.00 H new ATOM 0 HG22 VAL A 237 18.409 -14.013 12.366 1.00 0.00 H new ATOM 0 HG23 VAL A 237 19.395 -13.461 10.992 1.00 0.00 H new ATOM 250 N ASP A 238 16.865 -15.968 11.993 1.00 0.00 N ATOM 251 CA ASP A 238 16.172 -16.878 12.899 1.00 0.00 C ATOM 252 C ASP A 238 15.527 -16.109 14.062 1.00 0.00 C ATOM 253 O ASP A 238 16.048 -15.078 14.485 1.00 0.00 O ATOM 254 CB ASP A 238 17.159 -17.903 13.458 1.00 0.00 C ATOM 255 CG ASP A 238 18.281 -18.148 12.455 1.00 0.00 C ATOM 256 OD1 ASP A 238 19.224 -17.375 12.450 1.00 0.00 O ATOM 257 OD2 ASP A 238 18.182 -19.108 11.707 1.00 0.00 O1- ATOM 0 H ASP A 238 17.834 -15.770 12.244 1.00 0.00 H new ATOM 0 HA ASP A 238 15.388 -17.386 12.337 1.00 0.00 H new ATOM 0 HB2 ASP A 238 17.574 -17.544 14.400 1.00 0.00 H new ATOM 0 HB3 ASP A 238 16.642 -18.838 13.673 1.00 0.00 H new ATOM 262 N PRO A 239 14.418 -16.587 14.595 1.00 0.00 N ATOM 263 CA PRO A 239 13.728 -15.918 15.736 1.00 0.00 C ATOM 264 C PRO A 239 14.702 -15.412 16.797 1.00 0.00 C ATOM 265 O PRO A 239 14.646 -14.251 17.203 1.00 0.00 O ATOM 266 CB PRO A 239 12.841 -17.019 16.311 1.00 0.00 C ATOM 267 CG PRO A 239 12.531 -17.917 15.162 1.00 0.00 C ATOM 268 CD PRO A 239 13.697 -17.806 14.176 1.00 0.00 C ATOM 0 HA PRO A 239 13.180 -15.033 15.412 1.00 0.00 H new ATOM 0 HB2 PRO A 239 13.353 -17.561 17.106 1.00 0.00 H new ATOM 0 HB3 PRO A 239 11.930 -16.604 16.743 1.00 0.00 H new ATOM 0 HG2 PRO A 239 12.409 -18.946 15.500 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.595 -17.624 14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 239 14.341 -18.684 14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 239 13.342 -17.724 13.149 1.00 0.00 H new ATOM 276 N VAL A 240 15.583 -16.296 17.246 1.00 0.00 N ATOM 277 CA VAL A 240 16.561 -15.941 18.268 1.00 0.00 C ATOM 278 C VAL A 240 17.167 -14.574 17.977 1.00 0.00 C ATOM 279 O VAL A 240 17.540 -13.840 18.893 1.00 0.00 O ATOM 280 CB VAL A 240 17.671 -16.991 18.316 1.00 0.00 C ATOM 281 CG1 VAL A 240 18.914 -16.392 18.974 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.194 -18.196 19.131 1.00 0.00 C ATOM 0 H VAL A 240 15.641 -17.261 16.921 1.00 0.00 H new ATOM 0 HA VAL A 240 16.053 -15.904 19.232 1.00 0.00 H new ATOM 0 HB VAL A 240 17.915 -17.308 17.302 1.00 0.00 H new ATOM 0 HG11 VAL A 240 19.705 -17.141 19.008 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.253 -15.532 18.396 1.00 0.00 H new ATOM 0 HG13 VAL A 240 18.672 -16.074 19.988 1.00 0.00 H new ATOM 0 HG21 VAL A 240 17.984 -18.947 19.167 1.00 0.00 H new ATOM 0 HG22 VAL A 240 16.951 -17.877 20.144 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.308 -18.624 18.663 1.00 0.00 H new ATOM 292 N ALA A 241 17.263 -14.240 16.697 1.00 0.00 N ATOM 293 CA ALA A 241 17.827 -12.959 16.293 1.00 0.00 C ATOM 294 C ALA A 241 16.758 -11.871 16.335 1.00 0.00 C ATOM 295 O ALA A 241 17.058 -10.699 16.558 1.00 0.00 O ATOM 296 CB ALA A 241 18.395 -13.063 14.880 1.00 0.00 C ATOM 0 H ALA A 241 16.960 -14.834 15.925 1.00 0.00 H new ATOM 0 HA ALA A 241 18.626 -12.697 16.986 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.815 -12.101 14.585 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.176 -13.823 14.857 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.600 -13.339 14.188 1.00 0.00 H new ATOM 302 N VAL A 242 15.509 -12.273 16.123 1.00 0.00 N ATOM 303 CA VAL A 242 14.400 -11.328 16.140 1.00 0.00 C ATOM 304 C VAL A 242 13.906 -11.113 17.567 1.00 0.00 C ATOM 305 O VAL A 242 13.271 -10.102 17.869 1.00 0.00 O ATOM 306 CB VAL A 242 13.252 -11.855 15.276 1.00 0.00 C ATOM 307 CG1 VAL A 242 12.285 -10.714 14.960 1.00 0.00 C ATOM 308 CG2 VAL A 242 13.817 -12.419 13.971 1.00 0.00 C ATOM 0 H VAL A 242 15.241 -13.240 15.939 1.00 0.00 H new ATOM 0 HA VAL A 242 14.749 -10.377 15.739 1.00 0.00 H new ATOM 0 HB VAL A 242 12.722 -12.641 15.815 1.00 0.00 H new ATOM 0 HG11 VAL A 242 11.468 -11.090 14.345 1.00 0.00 H new ATOM 0 HG12 VAL A 242 11.883 -10.309 15.889 1.00 0.00 H new ATOM 0 HG13 VAL A 242 12.814 -9.928 14.421 1.00 0.00 H new ATOM 0 HG21 VAL A 242 13.001 -12.795 13.354 1.00 0.00 H new ATOM 0 HG22 VAL A 242 14.346 -11.632 13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.507 -13.232 14.195 1.00 0.00 H new ATOM 318 N LEU A 243 14.203 -12.071 18.439 1.00 0.00 N ATOM 319 CA LEU A 243 13.786 -11.980 19.834 1.00 0.00 C ATOM 320 C LEU A 243 14.353 -10.724 20.485 1.00 0.00 C ATOM 321 O LEU A 243 13.607 -9.885 20.992 1.00 0.00 O ATOM 322 CB LEU A 243 14.262 -13.215 20.600 1.00 0.00 C ATOM 323 CG LEU A 243 13.517 -13.312 21.931 1.00 0.00 C ATOM 324 CD1 LEU A 243 12.228 -14.113 21.738 1.00 0.00 C ATOM 325 CD2 LEU A 243 14.404 -14.016 22.961 1.00 0.00 C ATOM 0 H LEU A 243 14.728 -12.914 18.207 1.00 0.00 H new ATOM 0 HA LEU A 243 12.698 -11.928 19.866 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.087 -14.113 20.007 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.336 -13.154 20.776 1.00 0.00 H new ATOM 0 HG LEU A 243 13.273 -12.310 22.284 1.00 0.00 H new ATOM 0 HD11 LEU A 243 11.697 -14.182 22.687 1.00 0.00 H new ATOM 0 HD12 LEU A 243 11.596 -13.614 21.004 1.00 0.00 H new ATOM 0 HD13 LEU A 243 12.472 -15.115 21.385 1.00 0.00 H new ATOM 0 HD21 LEU A 243 13.874 -14.086 23.911 1.00 0.00 H new ATOM 0 HD22 LEU A 243 14.648 -15.018 22.607 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.323 -13.446 23.100 1.00 0.00 H new ATOM 337 N ALA A 244 15.675 -10.600 20.469 1.00 0.00 N ATOM 338 CA ALA A 244 16.332 -9.442 21.063 1.00 0.00 C ATOM 339 C ALA A 244 15.572 -8.164 20.728 1.00 0.00 C ATOM 340 O ALA A 244 15.624 -7.185 21.472 1.00 0.00 O ATOM 341 CB ALA A 244 17.767 -9.335 20.546 1.00 0.00 C ATOM 0 H ALA A 244 16.310 -11.282 20.054 1.00 0.00 H new ATOM 0 HA ALA A 244 16.344 -9.570 22.145 1.00 0.00 H new ATOM 0 HB1 ALA A 244 18.251 -8.468 20.994 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.318 -10.237 20.813 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.756 -9.224 19.462 1.00 0.00 H new ATOM 347 N VAL A 245 14.865 -8.185 19.606 1.00 0.00 N ATOM 348 CA VAL A 245 14.091 -7.024 19.178 1.00 0.00 C ATOM 349 C VAL A 245 12.638 -7.157 19.626 1.00 0.00 C ATOM 350 O VAL A 245 12.144 -6.349 20.410 1.00 0.00 O ATOM 351 CB VAL A 245 14.146 -6.889 17.656 1.00 0.00 C ATOM 352 CG1 VAL A 245 14.239 -5.411 17.276 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.374 -7.630 17.124 1.00 0.00 C ATOM 0 H VAL A 245 14.810 -8.987 18.978 1.00 0.00 H new ATOM 0 HA VAL A 245 14.523 -6.134 19.636 1.00 0.00 H new ATOM 0 HB VAL A 245 13.244 -7.319 17.221 1.00 0.00 H new ATOM 0 HG11 VAL A 245 14.278 -5.316 16.191 1.00 0.00 H new ATOM 0 HG12 VAL A 245 13.365 -4.882 17.655 1.00 0.00 H new ATOM 0 HG13 VAL A 245 15.141 -4.980 17.711 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.415 -7.535 16.039 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.276 -7.200 17.560 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.308 -8.684 17.393 1.00 0.00 H new ATOM 363 N PHE A 246 11.962 -8.181 19.120 1.00 0.00 N ATOM 364 CA PHE A 246 10.565 -8.411 19.470 1.00 0.00 C ATOM 365 C PHE A 246 10.369 -8.354 20.981 1.00 0.00 C ATOM 366 O PHE A 246 9.240 -8.287 21.468 1.00 0.00 O ATOM 367 CB PHE A 246 10.115 -9.776 18.946 1.00 0.00 C ATOM 368 CG PHE A 246 8.981 -10.294 19.798 1.00 0.00 C ATOM 369 CD1 PHE A 246 9.258 -11.045 20.947 1.00 0.00 C ATOM 370 CD2 PHE A 246 7.656 -10.022 19.439 1.00 0.00 C ATOM 371 CE1 PHE A 246 8.205 -11.525 21.737 1.00 0.00 C ATOM 372 CE2 PHE A 246 6.605 -10.501 20.229 1.00 0.00 C ATOM 373 CZ PHE A 246 6.880 -11.254 21.378 1.00 0.00 C ATOM 0 H PHE A 246 12.355 -8.862 18.470 1.00 0.00 H new ATOM 0 HA PHE A 246 9.963 -7.627 19.011 1.00 0.00 H new ATOM 0 HB2 PHE A 246 9.794 -9.691 17.908 1.00 0.00 H new ATOM 0 HB3 PHE A 246 10.949 -10.478 18.966 1.00 0.00 H new ATOM 0 HD1 PHE A 246 10.281 -11.254 21.224 1.00 0.00 H new ATOM 0 HD2 PHE A 246 7.445 -9.443 18.552 1.00 0.00 H new ATOM 0 HE1 PHE A 246 8.416 -12.105 22.624 1.00 0.00 H new ATOM 0 HE2 PHE A 246 5.582 -10.290 19.953 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.069 -11.625 21.987 1.00 0.00 H new ATOM 383 N GLU A 247 11.473 -8.384 21.721 1.00 0.00 N ATOM 384 CA GLU A 247 11.405 -8.338 23.176 1.00 0.00 C ATOM 385 C GLU A 247 11.142 -6.916 23.663 1.00 0.00 C ATOM 386 O GLU A 247 10.528 -6.712 24.709 1.00 0.00 O ATOM 387 CB GLU A 247 12.716 -8.852 23.777 1.00 0.00 C ATOM 388 CG GLU A 247 13.816 -7.810 23.573 1.00 0.00 C ATOM 389 CD GLU A 247 13.865 -6.863 24.767 1.00 0.00 C ATOM 390 OE1 GLU A 247 14.479 -7.222 25.759 1.00 0.00 O1- ATOM 391 OE2 GLU A 247 13.286 -5.792 24.674 1.00 0.00 O ATOM 0 H GLU A 247 12.418 -8.440 21.340 1.00 0.00 H new ATOM 0 HA GLU A 247 10.581 -8.975 23.499 1.00 0.00 H new ATOM 0 HB2 GLU A 247 12.586 -9.055 24.840 1.00 0.00 H new ATOM 0 HB3 GLU A 247 13.000 -9.793 23.305 1.00 0.00 H new ATOM 0 HG2 GLU A 247 14.779 -8.305 23.451 1.00 0.00 H new ATOM 0 HG3 GLU A 247 13.630 -7.246 22.659 1.00 0.00 H new ATOM 398 N GLU A 248 11.611 -5.935 22.897 1.00 0.00 N ATOM 399 CA GLU A 248 11.420 -4.536 23.264 1.00 0.00 C ATOM 400 C GLU A 248 10.142 -3.984 22.639 1.00 0.00 C ATOM 401 O GLU A 248 9.670 -2.911 23.014 1.00 0.00 O ATOM 402 CB GLU A 248 12.621 -3.704 22.805 1.00 0.00 C ATOM 403 CG GLU A 248 12.412 -3.239 21.362 1.00 0.00 C ATOM 404 CD GLU A 248 13.748 -2.844 20.742 1.00 0.00 C ATOM 405 OE1 GLU A 248 14.703 -3.581 20.926 1.00 0.00 O ATOM 406 OE2 GLU A 248 13.797 -1.813 20.093 1.00 0.00 O1- ATOM 0 H GLU A 248 12.121 -6.081 22.026 1.00 0.00 H new ATOM 0 HA GLU A 248 11.332 -4.475 24.349 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.748 -2.842 23.459 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.533 -4.296 22.877 1.00 0.00 H new ATOM 0 HG2 GLU A 248 11.952 -4.036 20.778 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.727 -2.391 21.340 1.00 0.00 H new ATOM 413 N ILE A 249 9.587 -4.724 21.685 1.00 0.00 N ATOM 414 CA ILE A 249 8.366 -4.297 21.014 1.00 0.00 C ATOM 415 C ILE A 249 7.144 -4.617 21.869 1.00 0.00 C ATOM 416 O ILE A 249 6.490 -3.718 22.397 1.00 0.00 O ATOM 417 CB ILE A 249 8.241 -4.999 19.661 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.267 -4.413 18.688 1.00 0.00 C ATOM 419 CG2 ILE A 249 6.832 -4.789 19.103 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.382 -5.318 17.460 1.00 0.00 C ATOM 0 H ILE A 249 9.961 -5.616 21.361 1.00 0.00 H new ATOM 0 HA ILE A 249 8.416 -3.219 20.861 1.00 0.00 H new ATOM 0 HB ILE A 249 8.425 -6.066 19.787 1.00 0.00 H new ATOM 0 HG12 ILE A 249 8.966 -3.410 18.386 1.00 0.00 H new ATOM 0 HG13 ILE A 249 10.237 -4.321 19.177 1.00 0.00 H new ATOM 0 HG21 ILE A 249 6.744 -5.290 18.139 1.00 0.00 H new ATOM 0 HG22 ILE A 249 6.101 -5.205 19.796 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.646 -3.722 18.976 1.00 0.00 H new ATOM 0 HD11 ILE A 249 10.113 -4.900 16.767 1.00 0.00 H new ATOM 0 HD12 ILE A 249 9.703 -6.313 17.770 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.412 -5.387 16.967 1.00 0.00 H new ATOM 432 N HIS A 250 6.841 -5.905 22.001 1.00 0.00 N ATOM 433 CA HIS A 250 5.694 -6.332 22.795 1.00 0.00 C ATOM 434 C HIS A 250 5.765 -5.739 24.199 1.00 0.00 C ATOM 435 O HIS A 250 4.775 -5.726 24.929 1.00 0.00 O ATOM 436 CB HIS A 250 5.659 -7.857 22.884 1.00 0.00 C ATOM 437 CG HIS A 250 6.485 -8.312 24.056 1.00 0.00 C ATOM 438 ND1 HIS A 250 5.941 -9.030 25.110 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.817 -8.161 24.354 1.00 0.00 C ATOM 440 CE1 HIS A 250 6.932 -9.279 25.985 1.00 0.00 C ATOM 441 NE2 HIS A 250 8.097 -8.774 25.573 1.00 0.00 N ATOM 0 H HIS A 250 7.369 -6.665 21.572 1.00 0.00 H new ATOM 0 HA HIS A 250 4.786 -5.977 22.308 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.631 -8.202 22.995 1.00 0.00 H new ATOM 0 HB3 HIS A 250 6.044 -8.294 21.963 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.538 -7.645 23.737 1.00 0.00 H new ATOM 0 HE1 HIS A 250 6.801 -9.822 26.909 1.00 0.00 H new ATOM 0 HE2 HIS A 250 8.998 -8.826 26.048 1.00 0.00 H new ATOM 449 N LYS A 251 6.944 -5.248 24.568 1.00 0.00 N ATOM 450 CA LYS A 251 7.133 -4.654 25.886 1.00 0.00 C ATOM 451 C LYS A 251 6.714 -3.188 25.876 1.00 0.00 C ATOM 452 O LYS A 251 6.404 -2.612 26.918 1.00 0.00 O ATOM 453 CB LYS A 251 8.602 -4.768 26.301 1.00 0.00 C ATOM 454 CG LYS A 251 8.755 -4.356 27.768 1.00 0.00 C ATOM 455 CD LYS A 251 10.227 -4.462 28.179 1.00 0.00 C ATOM 456 CE LYS A 251 10.930 -3.131 27.907 1.00 0.00 C ATOM 457 NZ LYS A 251 10.375 -2.083 28.810 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.776 -5.249 23.978 1.00 0.00 H new ATOM 0 HA LYS A 251 6.511 -5.191 26.602 1.00 0.00 H new ATOM 0 HB2 LYS A 251 8.951 -5.791 26.162 1.00 0.00 H new ATOM 0 HB3 LYS A 251 9.220 -4.131 25.668 1.00 0.00 H new ATOM 0 HG2 LYS A 251 8.400 -3.335 27.909 1.00 0.00 H new ATOM 0 HG3 LYS A 251 8.142 -4.997 28.402 1.00 0.00 H new ATOM 0 HD2 LYS A 251 10.303 -4.716 29.236 1.00 0.00 H new ATOM 0 HD3 LYS A 251 10.714 -5.263 27.623 1.00 0.00 H new ATOM 0 HE2 LYS A 251 12.003 -3.234 28.069 1.00 0.00 H new ATOM 0 HE3 LYS A 251 10.791 -2.840 26.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 11.110 -1.377 29.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 9.568 -1.618 28.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 10.059 -2.522 29.698 1.00 0.00 H new ATOM 471 N LYS A 252 6.706 -2.594 24.689 1.00 0.00 N ATOM 472 CA LYS A 252 6.322 -1.195 24.548 1.00 0.00 C ATOM 473 C LYS A 252 4.831 -1.076 24.248 1.00 0.00 C ATOM 474 O LYS A 252 4.189 -0.093 24.618 1.00 0.00 O ATOM 475 CB LYS A 252 7.125 -0.544 23.419 1.00 0.00 C ATOM 476 CG LYS A 252 7.782 0.740 23.929 1.00 0.00 C ATOM 477 CD LYS A 252 8.894 0.390 24.920 1.00 0.00 C ATOM 478 CE LYS A 252 8.698 1.190 26.210 1.00 0.00 C ATOM 479 NZ LYS A 252 9.894 1.023 27.083 1.00 0.00 N1+ ATOM 0 H LYS A 252 6.959 -3.056 23.815 1.00 0.00 H new ATOM 0 HA LYS A 252 6.534 -0.683 25.487 1.00 0.00 H new ATOM 0 HB2 LYS A 252 7.886 -1.234 23.056 1.00 0.00 H new ATOM 0 HB3 LYS A 252 6.471 -0.320 22.577 1.00 0.00 H new ATOM 0 HG2 LYS A 252 8.191 1.308 23.093 1.00 0.00 H new ATOM 0 HG3 LYS A 252 7.038 1.374 24.411 1.00 0.00 H new ATOM 0 HD2 LYS A 252 8.880 -0.678 25.136 1.00 0.00 H new ATOM 0 HD3 LYS A 252 9.868 0.614 24.485 1.00 0.00 H new ATOM 0 HE2 LYS A 252 8.548 2.244 25.978 1.00 0.00 H new ATOM 0 HE3 LYS A 252 7.804 0.848 26.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 9.755 1.552 27.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 10.027 0.015 27.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 10.736 1.385 26.591 1.00 0.00 H new ATOM 493 N LYS A 253 4.285 -2.084 23.577 1.00 0.00 N ATOM 494 CA LYS A 253 2.869 -2.083 23.232 1.00 0.00 C ATOM 495 C LYS A 253 2.022 -1.731 24.450 1.00 0.00 C ATOM 496 O LYS A 253 2.206 -2.302 25.526 1.00 0.00 O ATOM 497 CB LYS A 253 2.458 -3.457 22.703 1.00 0.00 C ATOM 498 CG LYS A 253 2.896 -3.595 21.242 1.00 0.00 C ATOM 499 CD LYS A 253 1.784 -3.082 20.325 1.00 0.00 C ATOM 500 CE LYS A 253 2.388 -2.634 18.992 1.00 0.00 C ATOM 501 NZ LYS A 253 1.298 -2.186 18.079 1.00 0.00 N1+ ATOM 0 H LYS A 253 4.798 -2.908 23.263 1.00 0.00 H new ATOM 0 HA LYS A 253 2.704 -1.333 22.459 1.00 0.00 H new ATOM 0 HB2 LYS A 253 2.914 -4.242 23.306 1.00 0.00 H new ATOM 0 HB3 LYS A 253 1.378 -3.581 22.783 1.00 0.00 H new ATOM 0 HG2 LYS A 253 3.812 -3.030 21.071 1.00 0.00 H new ATOM 0 HG3 LYS A 253 3.117 -4.638 21.015 1.00 0.00 H new ATOM 0 HD2 LYS A 253 1.046 -3.866 20.157 1.00 0.00 H new ATOM 0 HD3 LYS A 253 1.263 -2.250 20.798 1.00 0.00 H new ATOM 0 HE2 LYS A 253 3.096 -1.822 19.156 1.00 0.00 H new ATOM 0 HE3 LYS A 253 2.943 -3.455 18.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 1.707 -1.881 17.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 0.638 -2.973 17.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 0.787 -1.391 18.513 1.00 0.00 H new HETATM 515 N NH2 A 254 1.097 -0.816 24.347 1.00 0.00 N TER 518 NH2 A 254