USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=6 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 Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 LYS NZ :NH3+ -154:sc= -0.0717 (180deg=-0.52) USER MOD Single : A 225 LYS NZ :NH3+ -162:sc= -0.0153 (180deg=-0.222) USER MOD Single : A 227 ASN : amide:sc= -2.13! C(o=-2.1!,f=-9.2!) USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 SER OG : rot 180:sc= 0 USER MOD Single : A 250 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.011) USER MOD Single : A 251 LYS NZ :NH3+ 146:sc= -0.267 (180deg=-1.36!) USER MOD Single : A 252 LYS NZ :NH3+ -152:sc= 0.623 (180deg=-0.0418) USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 5.454 -8.441 -10.945 1.00 0.00 C HETATM 2 O ACE A 222 6.192 -8.537 -9.965 1.00 0.00 O HETATM 3 CH3 ACE A 222 4.260 -7.492 -10.934 1.00 0.00 C HETATM 0 H1 ACE A 222 4.370 -6.759 -11.733 1.00 0.00 H new HETATM 0 H2 ACE A 222 3.342 -8.060 -11.087 1.00 0.00 H new HETATM 0 H3 ACE A 222 4.213 -6.978 -9.974 1.00 0.00 H new ATOM 7 N LYS A 223 5.636 -9.141 -12.061 1.00 0.00 N ATOM 8 CA LYS A 223 6.744 -10.081 -12.188 1.00 0.00 C ATOM 9 C LYS A 223 8.019 -9.352 -12.597 1.00 0.00 C ATOM 10 O LYS A 223 8.487 -9.486 -13.728 1.00 0.00 O ATOM 11 CB LYS A 223 6.406 -11.147 -13.232 1.00 0.00 C ATOM 12 CG LYS A 223 5.992 -10.470 -14.540 1.00 0.00 C ATOM 13 CD LYS A 223 4.529 -10.796 -14.843 1.00 0.00 C ATOM 14 CE LYS A 223 4.102 -10.083 -16.128 1.00 0.00 C ATOM 15 NZ LYS A 223 2.947 -10.802 -16.735 1.00 0.00 N1+ ATOM 0 H LYS A 223 5.036 -9.076 -12.883 1.00 0.00 H new ATOM 0 HA LYS A 223 6.906 -10.558 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 223 7.269 -11.791 -13.401 1.00 0.00 H new ATOM 0 HB3 LYS A 223 5.599 -11.784 -12.869 1.00 0.00 H new ATOM 0 HG2 LYS A 223 6.126 -9.391 -14.462 1.00 0.00 H new ATOM 0 HG3 LYS A 223 6.628 -10.812 -15.356 1.00 0.00 H new ATOM 0 HD2 LYS A 223 4.401 -11.873 -14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 223 3.896 -10.482 -14.013 1.00 0.00 H new ATOM 0 HE2 LYS A 223 3.828 -9.051 -15.910 1.00 0.00 H new ATOM 0 HE3 LYS A 223 4.934 -10.050 -16.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 2.657 -10.318 -17.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 3.224 -11.779 -16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 2.153 -10.812 -16.064 1.00 0.00 H new ATOM 29 N LYS A 224 8.579 -8.582 -11.669 1.00 0.00 N ATOM 30 CA LYS A 224 9.802 -7.837 -11.945 1.00 0.00 C ATOM 31 C LYS A 224 10.745 -7.894 -10.748 1.00 0.00 C ATOM 32 O LYS A 224 10.483 -8.597 -9.772 1.00 0.00 O ATOM 33 CB LYS A 224 9.465 -6.379 -12.262 1.00 0.00 C ATOM 34 CG LYS A 224 8.927 -6.278 -13.691 1.00 0.00 C ATOM 35 CD LYS A 224 8.312 -4.896 -13.909 1.00 0.00 C ATOM 36 CE LYS A 224 8.129 -4.648 -15.408 1.00 0.00 C ATOM 37 NZ LYS A 224 9.463 -4.462 -16.047 1.00 0.00 N1+ ATOM 0 H LYS A 224 8.209 -8.458 -10.727 1.00 0.00 H new ATOM 0 HA LYS A 224 10.296 -8.291 -12.804 1.00 0.00 H new ATOM 0 HB2 LYS A 224 8.724 -6.004 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 224 10.353 -5.757 -12.152 1.00 0.00 H new ATOM 0 HG2 LYS A 224 9.732 -6.446 -14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 224 8.179 -7.052 -13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 224 7.351 -4.830 -13.399 1.00 0.00 H new ATOM 0 HD3 LYS A 224 8.955 -4.128 -13.479 1.00 0.00 H new ATOM 0 HE2 LYS A 224 7.609 -5.489 -15.866 1.00 0.00 H new ATOM 0 HE3 LYS A 224 7.511 -3.765 -15.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 9.359 -3.883 -16.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 10.103 -3.983 -15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 9.859 -5.390 -16.301 1.00 0.00 H new ATOM 51 N LYS A 225 11.843 -7.150 -10.829 1.00 0.00 N ATOM 52 CA LYS A 225 12.819 -7.123 -9.745 1.00 0.00 C ATOM 53 C LYS A 225 13.275 -8.536 -9.401 1.00 0.00 C ATOM 54 O LYS A 225 12.751 -9.160 -8.478 1.00 0.00 O ATOM 55 CB LYS A 225 12.206 -6.466 -8.507 1.00 0.00 C ATOM 56 CG LYS A 225 12.339 -4.946 -8.617 1.00 0.00 C ATOM 57 CD LYS A 225 11.678 -4.467 -9.911 1.00 0.00 C ATOM 58 CE LYS A 225 11.551 -2.943 -9.887 1.00 0.00 C ATOM 59 NZ LYS A 225 10.450 -2.551 -8.961 1.00 0.00 N1+ ATOM 0 H LYS A 225 12.079 -6.561 -11.628 1.00 0.00 H new ATOM 0 HA LYS A 225 13.683 -6.544 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 225 11.156 -6.744 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 225 12.708 -6.821 -7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 225 11.870 -4.466 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 225 13.391 -4.661 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 225 12.270 -4.779 -10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 225 10.694 -4.923 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 225 12.490 -2.494 -9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 225 11.348 -2.568 -10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 10.157 -1.574 -9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 9.640 -3.190 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 10.784 -2.615 -7.978 1.00 0.00 H new ATOM 73 N ASP A 226 14.254 -9.037 -10.147 1.00 0.00 N ATOM 74 CA ASP A 226 14.773 -10.378 -9.910 1.00 0.00 C ATOM 75 C ASP A 226 15.864 -10.351 -8.845 1.00 0.00 C ATOM 76 O ASP A 226 16.393 -11.392 -8.456 1.00 0.00 O ATOM 77 CB ASP A 226 15.340 -10.956 -11.208 1.00 0.00 C ATOM 78 CG ASP A 226 14.847 -12.387 -11.401 1.00 0.00 C ATOM 79 OD1 ASP A 226 13.793 -12.555 -11.994 1.00 0.00 O1- ATOM 80 OD2 ASP A 226 15.529 -13.293 -10.953 1.00 0.00 O ATOM 0 H ASP A 226 14.701 -8.538 -10.916 1.00 0.00 H new ATOM 0 HA ASP A 226 13.954 -11.006 -9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 226 15.035 -10.340 -12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 226 16.429 -10.939 -11.178 1.00 0.00 H new ATOM 85 N ASN A 227 16.197 -9.152 -8.377 1.00 0.00 N ATOM 86 CA ASN A 227 17.227 -9.001 -7.356 1.00 0.00 C ATOM 87 C ASN A 227 16.661 -9.308 -5.974 1.00 0.00 C ATOM 88 O ASN A 227 15.653 -8.731 -5.563 1.00 0.00 O ATOM 89 CB ASN A 227 17.778 -7.574 -7.379 1.00 0.00 C ATOM 90 CG ASN A 227 18.904 -7.433 -6.358 1.00 0.00 C ATOM 91 OD1 ASN A 227 18.818 -7.983 -5.261 1.00 0.00 O ATOM 92 ND2 ASN A 227 19.959 -6.727 -6.658 1.00 0.00 N ATOM 0 H ASN A 227 15.772 -8.278 -8.686 1.00 0.00 H new ATOM 0 HA ASN A 227 18.031 -9.705 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 227 18.148 -7.334 -8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 227 16.982 -6.864 -7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 227 20.717 -6.629 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 227 20.026 -6.273 -7.569 1.00 0.00 H new ATOM 99 N LEU A 228 17.314 -10.219 -5.262 1.00 0.00 N ATOM 100 CA LEU A 228 16.866 -10.595 -3.926 1.00 0.00 C ATOM 101 C LEU A 228 17.958 -11.366 -3.191 1.00 0.00 C ATOM 102 O LEU A 228 17.716 -11.945 -2.132 1.00 0.00 O ATOM 103 CB LEU A 228 15.603 -11.456 -4.015 1.00 0.00 C ATOM 104 CG LEU A 228 15.663 -12.341 -5.264 1.00 0.00 C ATOM 105 CD1 LEU A 228 16.938 -13.187 -5.234 1.00 0.00 C ATOM 106 CD2 LEU A 228 14.443 -13.264 -5.290 1.00 0.00 C ATOM 0 H LEU A 228 18.149 -10.708 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 228 16.643 -9.683 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 228 15.511 -12.076 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 228 14.720 -10.819 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 228 15.667 -11.712 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 228 16.978 -13.816 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 228 17.809 -12.532 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 228 16.936 -13.817 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 228 14.483 -13.895 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 228 14.442 -13.891 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 228 13.533 -12.664 -5.312 1.00 0.00 H new ATOM 118 N LEU A 229 19.159 -11.367 -3.759 1.00 0.00 N ATOM 119 CA LEU A 229 20.282 -12.071 -3.149 1.00 0.00 C ATOM 120 C LEU A 229 20.307 -11.834 -1.642 1.00 0.00 C ATOM 121 O LEU A 229 20.707 -12.708 -0.874 1.00 0.00 O ATOM 122 CB LEU A 229 21.599 -11.592 -3.766 1.00 0.00 C ATOM 123 CG LEU A 229 21.587 -10.066 -3.884 1.00 0.00 C ATOM 124 CD1 LEU A 229 22.929 -9.507 -3.407 1.00 0.00 C ATOM 125 CD2 LEU A 229 21.361 -9.670 -5.344 1.00 0.00 C ATOM 0 H LEU A 229 19.380 -10.892 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 229 20.162 -13.138 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 229 22.439 -11.912 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 229 21.736 -12.042 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 229 20.784 -9.660 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 229 22.921 -8.420 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 229 23.092 -9.789 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 229 23.732 -9.912 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 229 21.352 -8.583 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 229 22.164 -10.076 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 229 20.406 -10.068 -5.685 1.00 0.00 H new ATOM 137 N PHE A 230 19.878 -10.648 -1.228 1.00 0.00 N ATOM 138 CA PHE A 230 19.856 -10.306 0.189 1.00 0.00 C ATOM 139 C PHE A 230 19.102 -11.367 0.986 1.00 0.00 C ATOM 140 O PHE A 230 19.489 -11.710 2.103 1.00 0.00 O ATOM 141 CB PHE A 230 19.186 -8.945 0.388 1.00 0.00 C ATOM 142 CG PHE A 230 20.240 -7.866 0.425 1.00 0.00 C ATOM 143 CD1 PHE A 230 21.302 -7.894 -0.488 1.00 0.00 C ATOM 144 CD2 PHE A 230 20.158 -6.837 1.370 1.00 0.00 C ATOM 145 CE1 PHE A 230 22.281 -6.895 -0.454 1.00 0.00 C ATOM 146 CE2 PHE A 230 21.137 -5.837 1.403 1.00 0.00 C ATOM 147 CZ PHE A 230 22.198 -5.865 0.492 1.00 0.00 C ATOM 0 H PHE A 230 19.543 -9.911 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 230 20.884 -10.261 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 230 18.482 -8.753 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 230 18.614 -8.941 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 230 21.365 -8.687 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 230 19.339 -6.814 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 230 23.101 -6.918 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 230 21.073 -5.043 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 230 22.953 -5.093 0.518 1.00 0.00 H new ATOM 157 N GLY A 231 18.026 -11.880 0.403 1.00 0.00 N ATOM 158 CA GLY A 231 17.223 -12.902 1.067 1.00 0.00 C ATOM 159 C GLY A 231 18.110 -13.969 1.696 1.00 0.00 C ATOM 160 O GLY A 231 17.843 -14.437 2.804 1.00 0.00 O ATOM 0 H GLY A 231 17.690 -11.609 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 231 16.603 -12.440 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 231 16.547 -13.364 0.347 1.00 0.00 H new ATOM 164 N SER A 232 19.166 -14.352 0.986 1.00 0.00 N ATOM 165 CA SER A 232 20.084 -15.367 1.490 1.00 0.00 C ATOM 166 C SER A 232 20.562 -15.005 2.890 1.00 0.00 C ATOM 167 O SER A 232 20.800 -15.879 3.724 1.00 0.00 O ATOM 168 CB SER A 232 21.285 -15.497 0.554 1.00 0.00 C ATOM 169 OG SER A 232 21.743 -16.844 0.561 1.00 0.00 O ATOM 0 H SER A 232 19.406 -13.979 0.068 1.00 0.00 H new ATOM 0 HA SER A 232 19.556 -16.320 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 232 21.006 -15.201 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 232 22.084 -14.828 0.873 1.00 0.00 H new ATOM 0 HG SER A 232 22.512 -16.931 -0.040 1.00 0.00 H new ATOM 175 N ILE A 233 20.699 -13.709 3.138 1.00 0.00 N ATOM 176 CA ILE A 233 21.149 -13.231 4.439 1.00 0.00 C ATOM 177 C ILE A 233 19.956 -12.955 5.350 1.00 0.00 C ATOM 178 O ILE A 233 19.837 -13.539 6.428 1.00 0.00 O ATOM 179 CB ILE A 233 21.971 -11.954 4.268 1.00 0.00 C ATOM 180 CG1 ILE A 233 23.209 -12.258 3.421 1.00 0.00 C ATOM 181 CG2 ILE A 233 22.407 -11.437 5.641 1.00 0.00 C ATOM 182 CD1 ILE A 233 23.436 -11.122 2.420 1.00 0.00 C ATOM 0 H ILE A 233 20.506 -12.973 2.459 1.00 0.00 H new ATOM 0 HA ILE A 233 21.768 -14.003 4.896 1.00 0.00 H new ATOM 0 HB ILE A 233 21.366 -11.195 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 233 24.083 -12.371 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 233 23.078 -13.202 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 233 22.993 -10.526 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 233 21.526 -11.222 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 233 23.013 -12.194 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 233 24.318 -11.339 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 233 22.566 -11.030 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 233 23.586 -10.187 2.959 1.00 0.00 H new ATOM 194 N ILE A 234 19.075 -12.063 4.908 1.00 0.00 N ATOM 195 CA ILE A 234 17.893 -11.717 5.692 1.00 0.00 C ATOM 196 C ILE A 234 17.074 -12.965 6.005 1.00 0.00 C ATOM 197 O ILE A 234 16.866 -13.306 7.169 1.00 0.00 O ATOM 198 CB ILE A 234 17.028 -10.719 4.920 1.00 0.00 C ATOM 199 CG1 ILE A 234 17.919 -9.644 4.289 1.00 0.00 C ATOM 200 CG2 ILE A 234 16.034 -10.057 5.878 1.00 0.00 C ATOM 201 CD1 ILE A 234 18.883 -9.092 5.341 1.00 0.00 C ATOM 0 H ILE A 234 19.155 -11.570 4.019 1.00 0.00 H new ATOM 0 HA ILE A 234 18.221 -11.266 6.629 1.00 0.00 H new ATOM 0 HB ILE A 234 16.484 -11.245 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 234 18.479 -10.066 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 234 17.305 -8.839 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 234 15.417 -9.346 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 234 15.397 -10.820 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 234 16.579 -9.533 6.663 1.00 0.00 H new ATOM 0 HD11 ILE A 234 19.515 -8.328 4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 234 18.314 -8.654 6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 234 19.507 -9.900 5.723 1.00 0.00 H new ATOM 213 N SER A 235 16.613 -13.641 4.958 1.00 0.00 N ATOM 214 CA SER A 235 15.817 -14.851 5.133 1.00 0.00 C ATOM 215 C SER A 235 16.510 -15.815 6.090 1.00 0.00 C ATOM 216 O SER A 235 15.904 -16.779 6.561 1.00 0.00 O ATOM 217 CB SER A 235 15.603 -15.534 3.782 1.00 0.00 C ATOM 218 OG SER A 235 14.405 -16.298 3.827 1.00 0.00 O ATOM 0 H SER A 235 16.775 -13.375 3.987 1.00 0.00 H new ATOM 0 HA SER A 235 14.852 -14.571 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 235 15.543 -14.788 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 235 16.451 -16.179 3.549 1.00 0.00 H new ATOM 0 HG SER A 235 14.264 -16.736 2.962 1.00 0.00 H new ATOM 224 N ALA A 236 17.780 -15.551 6.372 1.00 0.00 N ATOM 225 CA ALA A 236 18.546 -16.403 7.276 1.00 0.00 C ATOM 226 C ALA A 236 18.179 -16.110 8.726 1.00 0.00 C ATOM 227 O ALA A 236 18.237 -16.993 9.583 1.00 0.00 O ATOM 228 CB ALA A 236 20.043 -16.170 7.069 1.00 0.00 C ATOM 0 H ALA A 236 18.299 -14.760 5.991 1.00 0.00 H new ATOM 0 HA ALA A 236 18.307 -17.443 7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 236 20.608 -16.809 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 236 20.309 -16.408 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 236 20.280 -15.126 7.273 1.00 0.00 H new ATOM 234 N VAL A 237 17.799 -14.865 8.995 1.00 0.00 N ATOM 235 CA VAL A 237 17.424 -14.466 10.347 1.00 0.00 C ATOM 236 C VAL A 237 16.470 -15.485 10.962 1.00 0.00 C ATOM 237 O VAL A 237 15.706 -16.141 10.253 1.00 0.00 O ATOM 238 CB VAL A 237 16.755 -13.090 10.317 1.00 0.00 C ATOM 239 CG1 VAL A 237 16.009 -12.853 11.633 1.00 0.00 C ATOM 240 CG2 VAL A 237 17.822 -12.009 10.136 1.00 0.00 C ATOM 0 H VAL A 237 17.743 -14.120 8.301 1.00 0.00 H new ATOM 0 HA VAL A 237 18.327 -14.418 10.956 1.00 0.00 H new ATOM 0 HB VAL A 237 16.049 -13.049 9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 237 15.533 -11.873 11.610 1.00 0.00 H new ATOM 0 HG12 VAL A 237 15.248 -13.623 11.764 1.00 0.00 H new ATOM 0 HG13 VAL A 237 16.714 -12.895 12.463 1.00 0.00 H new ATOM 0 HG21 VAL A 237 17.347 -11.028 10.114 1.00 0.00 H new ATOM 0 HG22 VAL A 237 18.528 -12.052 10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 237 18.353 -12.175 9.199 1.00 0.00 H new ATOM 250 N ASP A 238 16.518 -15.608 12.284 1.00 0.00 N ATOM 251 CA ASP A 238 15.653 -16.547 12.988 1.00 0.00 C ATOM 252 C ASP A 238 15.073 -15.895 14.244 1.00 0.00 C ATOM 253 O ASP A 238 15.630 -14.925 14.755 1.00 0.00 O ATOM 254 CB ASP A 238 16.450 -17.791 13.382 1.00 0.00 C ATOM 255 CG ASP A 238 16.006 -18.985 12.543 1.00 0.00 C ATOM 256 OD1 ASP A 238 16.008 -18.864 11.329 1.00 0.00 O ATOM 257 OD2 ASP A 238 15.674 -20.003 13.127 1.00 0.00 O1- ATOM 0 H ASP A 238 17.143 -15.073 12.887 1.00 0.00 H new ATOM 0 HA ASP A 238 14.836 -16.832 12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 238 17.515 -17.611 13.237 1.00 0.00 H new ATOM 0 HB3 ASP A 238 16.304 -18.006 14.441 1.00 0.00 H new ATOM 262 N PRO A 239 13.978 -16.406 14.752 1.00 0.00 N ATOM 263 CA PRO A 239 13.333 -15.856 15.975 1.00 0.00 C ATOM 264 C PRO A 239 14.356 -15.435 17.025 1.00 0.00 C ATOM 265 O PRO A 239 14.193 -14.411 17.689 1.00 0.00 O ATOM 266 CB PRO A 239 12.484 -17.021 16.476 1.00 0.00 C ATOM 267 CG PRO A 239 12.120 -17.794 15.253 1.00 0.00 C ATOM 268 CD PRO A 239 13.231 -17.562 14.223 1.00 0.00 C ATOM 0 HA PRO A 239 12.756 -14.954 15.770 1.00 0.00 H new ATOM 0 HB2 PRO A 239 13.040 -17.639 17.181 1.00 0.00 H new ATOM 0 HB3 PRO A 239 11.595 -16.665 16.996 1.00 0.00 H new ATOM 0 HG2 PRO A 239 12.024 -18.855 15.483 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.158 -17.464 14.862 1.00 0.00 H new ATOM 0 HD2 PRO A 239 13.871 -18.438 14.124 1.00 0.00 H new ATOM 0 HD3 PRO A 239 12.821 -17.353 13.235 1.00 0.00 H new ATOM 276 N VAL A 240 15.409 -16.231 17.166 1.00 0.00 N ATOM 277 CA VAL A 240 16.455 -15.933 18.137 1.00 0.00 C ATOM 278 C VAL A 240 17.075 -14.573 17.844 1.00 0.00 C ATOM 279 O VAL A 240 17.431 -13.829 18.756 1.00 0.00 O ATOM 280 CB VAL A 240 17.537 -17.014 18.091 1.00 0.00 C ATOM 281 CG1 VAL A 240 18.843 -16.457 18.660 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.090 -18.215 18.926 1.00 0.00 C ATOM 0 H VAL A 240 15.561 -17.082 16.625 1.00 0.00 H new ATOM 0 HA VAL A 240 16.011 -15.913 19.132 1.00 0.00 H new ATOM 0 HB VAL A 240 17.696 -17.325 17.058 1.00 0.00 H new ATOM 0 HG11 VAL A 240 19.613 -17.228 18.627 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.162 -15.600 18.067 1.00 0.00 H new ATOM 0 HG13 VAL A 240 18.686 -16.145 19.693 1.00 0.00 H new ATOM 0 HG21 VAL A 240 17.859 -18.986 18.895 1.00 0.00 H new ATOM 0 HG22 VAL A 240 16.932 -17.902 19.958 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.160 -18.614 18.521 1.00 0.00 H new ATOM 292 N ALA A 241 17.190 -14.254 16.560 1.00 0.00 N ATOM 293 CA ALA A 241 17.757 -12.980 16.146 1.00 0.00 C ATOM 294 C ALA A 241 16.702 -11.886 16.241 1.00 0.00 C ATOM 295 O ALA A 241 17.014 -10.724 16.500 1.00 0.00 O ATOM 296 CB ALA A 241 18.263 -13.080 14.708 1.00 0.00 C ATOM 0 H ALA A 241 16.899 -14.859 15.792 1.00 0.00 H new ATOM 0 HA ALA A 241 18.590 -12.733 16.805 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.686 -12.123 14.404 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.030 -13.852 14.645 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.434 -13.336 14.048 1.00 0.00 H new ATOM 302 N VAL A 242 15.450 -12.273 16.028 1.00 0.00 N ATOM 303 CA VAL A 242 14.344 -11.327 16.090 1.00 0.00 C ATOM 304 C VAL A 242 13.912 -11.099 17.534 1.00 0.00 C ATOM 305 O VAL A 242 13.309 -10.079 17.859 1.00 0.00 O ATOM 306 CB VAL A 242 13.161 -11.856 15.277 1.00 0.00 C ATOM 307 CG1 VAL A 242 12.249 -10.692 14.887 1.00 0.00 C ATOM 308 CG2 VAL A 242 13.680 -12.543 14.012 1.00 0.00 C ATOM 0 H VAL A 242 15.176 -13.232 15.812 1.00 0.00 H new ATOM 0 HA VAL A 242 14.678 -10.378 15.671 1.00 0.00 H new ATOM 0 HB VAL A 242 12.599 -12.572 15.876 1.00 0.00 H new ATOM 0 HG11 VAL A 242 11.406 -11.069 14.308 1.00 0.00 H new ATOM 0 HG12 VAL A 242 11.880 -10.201 15.788 1.00 0.00 H new ATOM 0 HG13 VAL A 242 12.810 -9.975 14.287 1.00 0.00 H new ATOM 0 HG21 VAL A 242 12.838 -12.921 13.432 1.00 0.00 H new ATOM 0 HG22 VAL A 242 14.241 -11.826 13.413 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.331 -13.372 14.289 1.00 0.00 H new ATOM 318 N LEU A 243 14.227 -12.060 18.397 1.00 0.00 N ATOM 319 CA LEU A 243 13.867 -11.958 19.807 1.00 0.00 C ATOM 320 C LEU A 243 14.434 -10.679 20.416 1.00 0.00 C ATOM 321 O LEU A 243 13.691 -9.840 20.924 1.00 0.00 O ATOM 322 CB LEU A 243 14.404 -13.170 20.571 1.00 0.00 C ATOM 323 CG LEU A 243 13.748 -13.242 21.950 1.00 0.00 C ATOM 324 CD1 LEU A 243 12.474 -14.085 21.867 1.00 0.00 C ATOM 325 CD2 LEU A 243 14.719 -13.884 22.942 1.00 0.00 C ATOM 0 H LEU A 243 14.727 -12.913 18.147 1.00 0.00 H new ATOM 0 HA LEU A 243 12.780 -11.931 19.883 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.200 -14.084 20.013 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.486 -13.095 20.676 1.00 0.00 H new ATOM 0 HG LEU A 243 13.496 -12.236 22.285 1.00 0.00 H new ATOM 0 HD11 LEU A 243 12.007 -14.136 22.850 1.00 0.00 H new ATOM 0 HD12 LEU A 243 11.781 -13.629 21.159 1.00 0.00 H new ATOM 0 HD13 LEU A 243 12.725 -15.091 21.532 1.00 0.00 H new ATOM 0 HD21 LEU A 243 14.253 -13.936 23.926 1.00 0.00 H new ATOM 0 HD22 LEU A 243 14.970 -14.890 22.606 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.627 -13.284 23.002 1.00 0.00 H new ATOM 337 N ALA A 244 15.755 -10.539 20.362 1.00 0.00 N ATOM 338 CA ALA A 244 16.412 -9.361 20.914 1.00 0.00 C ATOM 339 C ALA A 244 15.623 -8.099 20.584 1.00 0.00 C ATOM 340 O ALA A 244 15.678 -7.110 21.314 1.00 0.00 O ATOM 341 CB ALA A 244 17.828 -9.243 20.349 1.00 0.00 C ATOM 0 H ALA A 244 16.387 -11.222 19.944 1.00 0.00 H new ATOM 0 HA ALA A 244 16.460 -9.470 21.998 1.00 0.00 H new ATOM 0 HB1 ALA A 244 18.314 -8.360 20.766 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.401 -10.132 20.614 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.780 -9.153 19.264 1.00 0.00 H new ATOM 347 N VAL A 245 14.890 -8.142 19.480 1.00 0.00 N ATOM 348 CA VAL A 245 14.088 -6.998 19.059 1.00 0.00 C ATOM 349 C VAL A 245 12.651 -7.146 19.546 1.00 0.00 C ATOM 350 O VAL A 245 12.170 -6.345 20.346 1.00 0.00 O ATOM 351 CB VAL A 245 14.101 -6.881 17.535 1.00 0.00 C ATOM 352 CG1 VAL A 245 14.151 -5.404 17.136 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.333 -7.599 16.979 1.00 0.00 C ATOM 0 H VAL A 245 14.833 -8.951 18.862 1.00 0.00 H new ATOM 0 HA VAL A 245 14.519 -6.097 19.495 1.00 0.00 H new ATOM 0 HB VAL A 245 13.198 -7.337 17.129 1.00 0.00 H new ATOM 0 HG11 VAL A 245 14.160 -5.321 16.049 1.00 0.00 H new ATOM 0 HG12 VAL A 245 13.275 -4.890 17.532 1.00 0.00 H new ATOM 0 HG13 VAL A 245 15.054 -4.948 17.543 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.343 -7.516 15.892 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.235 -7.142 17.386 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.300 -8.651 17.262 1.00 0.00 H new ATOM 363 N PHE A 246 11.971 -8.175 19.055 1.00 0.00 N ATOM 364 CA PHE A 246 10.588 -8.422 19.443 1.00 0.00 C ATOM 365 C PHE A 246 10.430 -8.363 20.960 1.00 0.00 C ATOM 366 O PHE A 246 9.314 -8.315 21.476 1.00 0.00 O ATOM 367 CB PHE A 246 10.145 -9.796 18.936 1.00 0.00 C ATOM 368 CG PHE A 246 9.023 -10.314 19.802 1.00 0.00 C ATOM 369 CD1 PHE A 246 9.313 -11.051 20.957 1.00 0.00 C ATOM 370 CD2 PHE A 246 7.691 -10.058 19.451 1.00 0.00 C ATOM 371 CE1 PHE A 246 8.272 -11.531 21.760 1.00 0.00 C ATOM 372 CE2 PHE A 246 6.650 -10.538 20.254 1.00 0.00 C ATOM 373 CZ PHE A 246 6.940 -11.275 21.409 1.00 0.00 C ATOM 0 H PHE A 246 12.352 -8.849 18.391 1.00 0.00 H new ATOM 0 HA PHE A 246 9.964 -7.647 18.998 1.00 0.00 H new ATOM 0 HB2 PHE A 246 9.815 -9.724 17.900 1.00 0.00 H new ATOM 0 HB3 PHE A 246 10.985 -10.491 18.956 1.00 0.00 H new ATOM 0 HD1 PHE A 246 10.340 -11.249 21.228 1.00 0.00 H new ATOM 0 HD2 PHE A 246 7.467 -9.490 18.560 1.00 0.00 H new ATOM 0 HE1 PHE A 246 8.496 -12.099 22.651 1.00 0.00 H new ATOM 0 HE2 PHE A 246 5.623 -10.340 19.983 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.137 -11.646 22.029 1.00 0.00 H new ATOM 383 N GLU A 247 11.554 -8.370 21.669 1.00 0.00 N ATOM 384 CA GLU A 247 11.524 -8.320 23.127 1.00 0.00 C ATOM 385 C GLU A 247 11.243 -6.902 23.616 1.00 0.00 C ATOM 386 O GLU A 247 10.650 -6.708 24.677 1.00 0.00 O ATOM 387 CB GLU A 247 12.861 -8.804 23.695 1.00 0.00 C ATOM 388 CG GLU A 247 13.939 -7.753 23.433 1.00 0.00 C ATOM 389 CD GLU A 247 14.041 -6.802 24.620 1.00 0.00 C ATOM 390 OE1 GLU A 247 14.758 -7.124 25.553 1.00 0.00 O ATOM 391 OE2 GLU A 247 13.403 -5.763 24.578 1.00 0.00 O1- ATOM 0 H GLU A 247 12.489 -8.409 21.263 1.00 0.00 H new ATOM 0 HA GLU A 247 10.723 -8.973 23.474 1.00 0.00 H new ATOM 0 HB2 GLU A 247 12.768 -8.986 24.766 1.00 0.00 H new ATOM 0 HB3 GLU A 247 13.142 -9.751 23.234 1.00 0.00 H new ATOM 0 HG2 GLU A 247 14.899 -8.240 23.263 1.00 0.00 H new ATOM 0 HG3 GLU A 247 13.701 -7.194 22.528 1.00 0.00 H new ATOM 398 N GLU A 248 11.675 -5.913 22.840 1.00 0.00 N ATOM 399 CA GLU A 248 11.466 -4.518 23.209 1.00 0.00 C ATOM 400 C GLU A 248 10.167 -3.989 22.608 1.00 0.00 C ATOM 401 O GLU A 248 9.681 -2.926 22.995 1.00 0.00 O ATOM 402 CB GLU A 248 12.643 -3.666 22.727 1.00 0.00 C ATOM 403 CG GLU A 248 12.404 -3.222 21.282 1.00 0.00 C ATOM 404 CD GLU A 248 13.724 -2.813 20.638 1.00 0.00 C ATOM 405 OE1 GLU A 248 14.602 -2.370 21.361 1.00 0.00 O1- ATOM 406 OE2 GLU A 248 13.839 -2.950 19.431 1.00 0.00 O ATOM 0 H GLU A 248 12.168 -6.050 21.958 1.00 0.00 H new ATOM 0 HA GLU A 248 11.397 -4.458 24.295 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.760 -2.794 23.370 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.569 -4.238 22.793 1.00 0.00 H new ATOM 0 HG2 GLU A 248 11.949 -4.033 20.714 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.705 -2.386 21.260 1.00 0.00 H new ATOM 413 N ILE A 249 9.611 -4.736 21.660 1.00 0.00 N ATOM 414 CA ILE A 249 8.369 -4.329 21.013 1.00 0.00 C ATOM 415 C ILE A 249 7.169 -4.673 21.889 1.00 0.00 C ATOM 416 O ILE A 249 6.501 -3.785 22.419 1.00 0.00 O ATOM 417 CB ILE A 249 8.232 -5.031 19.661 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.238 -4.435 18.674 1.00 0.00 C ATOM 419 CG2 ILE A 249 6.813 -4.832 19.124 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.353 -5.345 17.449 1.00 0.00 C ATOM 0 H ILE A 249 9.997 -5.619 21.325 1.00 0.00 H new ATOM 0 HA ILE A 249 8.397 -3.250 20.863 1.00 0.00 H new ATOM 0 HB ILE A 249 8.428 -6.096 19.783 1.00 0.00 H new ATOM 0 HG12 ILE A 249 8.919 -3.438 18.371 1.00 0.00 H new ATOM 0 HG13 ILE A 249 10.212 -4.326 19.152 1.00 0.00 H new ATOM 0 HG21 ILE A 249 6.715 -5.332 18.160 1.00 0.00 H new ATOM 0 HG22 ILE A 249 6.095 -5.255 19.827 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.616 -3.767 19.001 1.00 0.00 H new ATOM 0 HD11 ILE A 249 10.070 -4.920 16.746 1.00 0.00 H new ATOM 0 HD12 ILE A 249 9.692 -6.333 17.760 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.379 -5.431 16.967 1.00 0.00 H new ATOM 432 N HIS A 250 6.901 -5.967 22.037 1.00 0.00 N ATOM 433 CA HIS A 250 5.777 -6.415 22.851 1.00 0.00 C ATOM 434 C HIS A 250 5.859 -5.817 24.252 1.00 0.00 C ATOM 435 O HIS A 250 4.885 -5.839 25.005 1.00 0.00 O ATOM 436 CB HIS A 250 5.777 -7.942 22.945 1.00 0.00 C ATOM 437 CG HIS A 250 6.620 -8.375 24.113 1.00 0.00 C ATOM 438 ND1 HIS A 250 6.093 -9.082 25.182 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.953 -8.206 24.395 1.00 0.00 C ATOM 440 CE1 HIS A 250 7.096 -9.313 26.050 1.00 0.00 C ATOM 441 NE2 HIS A 250 8.251 -8.800 25.618 1.00 0.00 N ATOM 0 H HIS A 250 7.442 -6.718 21.608 1.00 0.00 H new ATOM 0 HA HIS A 250 4.853 -6.080 22.379 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.758 -8.309 23.063 1.00 0.00 H new ATOM 0 HB3 HIS A 250 6.166 -8.373 22.023 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.662 -7.691 23.764 1.00 0.00 H new ATOM 0 HE1 HIS A 250 6.981 -9.848 26.981 1.00 0.00 H new ATOM 0 HE2 HIS A 250 9.157 -8.836 26.084 1.00 0.00 H new ATOM 449 N LYS A 251 7.027 -5.284 24.595 1.00 0.00 N ATOM 450 CA LYS A 251 7.226 -4.682 25.907 1.00 0.00 C ATOM 451 C LYS A 251 6.757 -3.230 25.905 1.00 0.00 C ATOM 452 O LYS A 251 6.460 -2.660 26.954 1.00 0.00 O ATOM 453 CB LYS A 251 8.706 -4.743 26.289 1.00 0.00 C ATOM 454 CG LYS A 251 8.876 -4.347 27.759 1.00 0.00 C ATOM 455 CD LYS A 251 10.357 -4.401 28.136 1.00 0.00 C ATOM 456 CE LYS A 251 11.007 -3.046 27.849 1.00 0.00 C ATOM 457 NZ LYS A 251 10.348 -1.995 28.676 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.845 -5.257 23.986 1.00 0.00 H new ATOM 0 HA LYS A 251 6.640 -5.240 26.637 1.00 0.00 H new ATOM 0 HB2 LYS A 251 9.092 -5.749 26.126 1.00 0.00 H new ATOM 0 HB3 LYS A 251 9.284 -4.073 25.653 1.00 0.00 H new ATOM 0 HG2 LYS A 251 8.485 -3.343 27.923 1.00 0.00 H new ATOM 0 HG3 LYS A 251 8.303 -5.021 28.396 1.00 0.00 H new ATOM 0 HD2 LYS A 251 10.466 -4.652 29.191 1.00 0.00 H new ATOM 0 HD3 LYS A 251 10.859 -5.185 27.569 1.00 0.00 H new ATOM 0 HE2 LYS A 251 12.073 -3.087 28.074 1.00 0.00 H new ATOM 0 HE3 LYS A 251 10.914 -2.803 26.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 11.050 -1.278 28.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 9.589 -1.545 28.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 9.944 -2.428 29.531 1.00 0.00 H new ATOM 471 N LYS A 252 6.691 -2.641 24.716 1.00 0.00 N ATOM 472 CA LYS A 252 6.256 -1.256 24.584 1.00 0.00 C ATOM 473 C LYS A 252 4.759 -1.190 24.296 1.00 0.00 C ATOM 474 O LYS A 252 4.082 -0.243 24.698 1.00 0.00 O ATOM 475 CB LYS A 252 7.025 -0.573 23.451 1.00 0.00 C ATOM 476 CG LYS A 252 7.999 0.449 24.040 1.00 0.00 C ATOM 477 CD LYS A 252 8.975 -0.257 24.981 1.00 0.00 C ATOM 478 CE LYS A 252 10.392 0.262 24.731 1.00 0.00 C ATOM 479 NZ LYS A 252 10.867 -0.210 23.401 1.00 0.00 N1+ ATOM 0 H LYS A 252 6.931 -3.097 23.836 1.00 0.00 H new ATOM 0 HA LYS A 252 6.458 -0.740 25.523 1.00 0.00 H new ATOM 0 HB2 LYS A 252 7.569 -1.315 22.867 1.00 0.00 H new ATOM 0 HB3 LYS A 252 6.330 -0.080 22.771 1.00 0.00 H new ATOM 0 HG2 LYS A 252 8.546 0.948 23.240 1.00 0.00 H new ATOM 0 HG3 LYS A 252 7.450 1.220 24.581 1.00 0.00 H new ATOM 0 HD2 LYS A 252 8.689 -0.080 26.018 1.00 0.00 H new ATOM 0 HD3 LYS A 252 8.937 -1.334 24.820 1.00 0.00 H new ATOM 0 HE2 LYS A 252 10.403 1.351 24.767 1.00 0.00 H new ATOM 0 HE3 LYS A 252 11.063 -0.090 25.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 11.904 -0.290 23.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 10.450 -1.140 23.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 10.579 0.470 22.668 1.00 0.00 H new ATOM 493 N LYS A 253 4.249 -2.201 23.601 1.00 0.00 N ATOM 494 CA LYS A 253 2.831 -2.248 23.265 1.00 0.00 C ATOM 495 C LYS A 253 1.982 -1.893 24.481 1.00 0.00 C ATOM 496 O LYS A 253 2.448 -1.981 25.618 1.00 0.00 O ATOM 497 CB LYS A 253 2.457 -3.645 22.768 1.00 0.00 C ATOM 498 CG LYS A 253 2.920 -3.813 21.320 1.00 0.00 C ATOM 499 CD LYS A 253 1.760 -3.505 20.373 1.00 0.00 C ATOM 500 CE LYS A 253 2.286 -3.390 18.940 1.00 0.00 C ATOM 501 NZ LYS A 253 1.425 -4.195 18.029 1.00 0.00 N1+ ATOM 0 H LYS A 253 4.793 -2.994 23.261 1.00 0.00 H new ATOM 0 HA LYS A 253 2.639 -1.520 22.476 1.00 0.00 H new ATOM 0 HB2 LYS A 253 2.920 -4.403 23.399 1.00 0.00 H new ATOM 0 HB3 LYS A 253 1.379 -3.790 22.835 1.00 0.00 H new ATOM 0 HG2 LYS A 253 3.757 -3.146 21.115 1.00 0.00 H new ATOM 0 HG3 LYS A 253 3.276 -4.830 21.157 1.00 0.00 H new ATOM 0 HD2 LYS A 253 1.009 -4.292 20.434 1.00 0.00 H new ATOM 0 HD3 LYS A 253 1.273 -2.576 20.668 1.00 0.00 H new ATOM 0 HE2 LYS A 253 2.291 -2.346 18.626 1.00 0.00 H new ATOM 0 HE3 LYS A 253 3.316 -3.743 18.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 1.782 -4.117 17.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 1.442 -5.192 18.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 0.449 -3.839 18.069 1.00 0.00 H new HETATM 515 N NH2 A 254 0.751 -1.494 24.310 1.00 0.00 N TER 518 NH2 A 254