USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 LYS NZ :NH3+ -172:sc= -1.11 (180deg=-1.32) USER MOD Single : A 227 ASN : amide:sc= -12.6! C(o=-13!,f=-5.1!) USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 SER OG : rot -39:sc= 0.144 USER MOD Single : A 250 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-0.035) USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 2.175 -3.954 9.031 1.00 0.00 C HETATM 2 O ACE A 222 1.106 -4.499 9.302 1.00 0.00 O HETATM 3 CH3 ACE A 222 3.414 -4.782 8.702 1.00 0.00 C HETATM 0 H1 ACE A 222 3.757 -4.539 7.696 1.00 0.00 H new HETATM 0 H2 ACE A 222 4.203 -4.557 9.419 1.00 0.00 H new HETATM 0 H3 ACE A 222 3.168 -5.842 8.755 1.00 0.00 H new ATOM 7 N LYS A 223 2.328 -2.634 9.003 1.00 0.00 N ATOM 8 CA LYS A 223 1.215 -1.739 9.300 1.00 0.00 C ATOM 9 C LYS A 223 0.597 -1.207 8.011 1.00 0.00 C ATOM 10 O LYS A 223 0.517 0.004 7.802 1.00 0.00 O ATOM 11 CB LYS A 223 1.699 -0.569 10.157 1.00 0.00 C ATOM 12 CG LYS A 223 3.040 -0.063 9.621 1.00 0.00 C ATOM 13 CD LYS A 223 3.393 1.264 10.296 1.00 0.00 C ATOM 14 CE LYS A 223 2.875 2.424 9.441 1.00 0.00 C ATOM 15 NZ LYS A 223 2.915 3.683 10.238 1.00 0.00 N1+ ATOM 0 H LYS A 223 3.205 -2.163 8.780 1.00 0.00 H new ATOM 0 HA LYS A 223 0.458 -2.301 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 223 0.963 0.235 10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 223 1.806 -0.885 11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 223 3.821 -0.799 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 223 2.985 0.070 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 223 2.952 1.307 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 223 4.473 1.345 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 223 3.485 2.529 8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 223 1.856 2.221 9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 2.563 4.472 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 2.316 3.579 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 3.894 3.878 10.531 1.00 0.00 H new ATOM 29 N LYS A 224 0.161 -2.120 7.148 1.00 0.00 N ATOM 30 CA LYS A 224 -0.448 -1.732 5.881 1.00 0.00 C ATOM 31 C LYS A 224 -1.399 -2.817 5.389 1.00 0.00 C ATOM 32 O LYS A 224 -2.089 -2.641 4.385 1.00 0.00 O ATOM 33 CB LYS A 224 0.639 -1.487 4.833 1.00 0.00 C ATOM 34 CG LYS A 224 0.115 -0.522 3.768 1.00 0.00 C ATOM 35 CD LYS A 224 0.894 -0.724 2.467 1.00 0.00 C ATOM 36 CE LYS A 224 0.838 0.559 1.635 1.00 0.00 C ATOM 37 NZ LYS A 224 1.993 1.431 1.991 1.00 0.00 N1+ ATOM 0 H LYS A 224 0.218 -3.127 7.302 1.00 0.00 H new ATOM 0 HA LYS A 224 -1.014 -0.814 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 224 1.529 -1.073 5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 224 0.933 -2.430 4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -0.948 -0.694 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.221 0.507 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 224 1.930 -0.983 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.471 -1.555 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 224 0.864 0.318 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -0.099 1.085 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.956 2.304 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 1.948 1.671 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 2.882 0.928 1.794 1.00 0.00 H new ATOM 51 N LYS A 225 -1.429 -3.938 6.102 1.00 0.00 N ATOM 52 CA LYS A 225 -2.300 -5.047 5.726 1.00 0.00 C ATOM 53 C LYS A 225 -1.937 -5.569 4.341 1.00 0.00 C ATOM 54 O LYS A 225 -2.785 -6.103 3.627 1.00 0.00 O ATOM 55 CB LYS A 225 -3.761 -4.590 5.736 1.00 0.00 C ATOM 56 CG LYS A 225 -4.655 -5.745 6.196 1.00 0.00 C ATOM 57 CD LYS A 225 -4.657 -5.816 7.725 1.00 0.00 C ATOM 58 CE LYS A 225 -5.876 -5.069 8.270 1.00 0.00 C ATOM 59 NZ LYS A 225 -5.855 -3.661 7.785 1.00 0.00 N1+ ATOM 0 H LYS A 225 -0.866 -4.103 6.936 1.00 0.00 H new ATOM 0 HA LYS A 225 -2.166 -5.851 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 225 -3.881 -3.736 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 225 -4.057 -4.262 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 225 -5.671 -5.601 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 225 -4.295 -6.685 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 225 -4.679 -6.856 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 225 -3.741 -5.377 8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 225 -6.792 -5.562 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 225 -5.871 -5.089 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 -6.604 -3.119 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 -4.930 -3.235 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 -6.016 -3.645 6.758 1.00 0.00 H new ATOM 73 N ASP A 226 -0.672 -5.408 3.967 1.00 0.00 N ATOM 74 CA ASP A 226 -0.209 -5.867 2.662 1.00 0.00 C ATOM 75 C ASP A 226 0.385 -7.268 2.768 1.00 0.00 C ATOM 76 O ASP A 226 1.533 -7.495 2.384 1.00 0.00 O ATOM 77 CB ASP A 226 0.847 -4.904 2.114 1.00 0.00 C ATOM 78 CG ASP A 226 1.131 -5.221 0.650 1.00 0.00 C ATOM 79 OD1 ASP A 226 0.324 -5.906 0.045 1.00 0.00 O1- ATOM 80 OD2 ASP A 226 2.153 -4.772 0.155 1.00 0.00 O ATOM 0 H ASP A 226 0.045 -4.967 4.543 1.00 0.00 H new ATOM 0 HA ASP A 226 -1.062 -5.895 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 226 0.499 -3.876 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 226 1.764 -4.987 2.697 1.00 0.00 H new ATOM 85 N ASN A 227 -0.407 -8.201 3.291 1.00 0.00 N ATOM 86 CA ASN A 227 0.041 -9.582 3.448 1.00 0.00 C ATOM 87 C ASN A 227 1.472 -9.633 3.977 1.00 0.00 C ATOM 88 O ASN A 227 2.028 -8.615 4.390 1.00 0.00 O ATOM 89 CB ASN A 227 -0.038 -10.316 2.107 1.00 0.00 C ATOM 90 CG ASN A 227 0.928 -9.688 1.108 1.00 0.00 C ATOM 91 OD1 ASN A 227 0.512 -9.231 0.043 1.00 0.00 O ATOM 92 ND2 ASN A 227 2.200 -9.635 1.391 1.00 0.00 N ATOM 0 H ASN A 227 -1.359 -8.027 3.612 1.00 0.00 H new ATOM 0 HA ASN A 227 -0.614 -10.072 4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 227 0.204 -11.370 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 227 -1.055 -10.271 1.718 1.00 0.00 H new ATOM 0 HD21 ASN A 227 2.853 -9.214 0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 227 2.542 -10.014 2.274 1.00 0.00 H new ATOM 99 N LEU A 228 2.059 -10.826 3.968 1.00 0.00 N ATOM 100 CA LEU A 228 3.425 -11.002 4.451 1.00 0.00 C ATOM 101 C LEU A 228 4.140 -12.081 3.645 1.00 0.00 C ATOM 102 O LEU A 228 4.668 -13.041 4.209 1.00 0.00 O ATOM 103 CB LEU A 228 3.415 -11.405 5.933 1.00 0.00 C ATOM 104 CG LEU A 228 3.057 -10.200 6.814 1.00 0.00 C ATOM 105 CD1 LEU A 228 2.908 -10.662 8.265 1.00 0.00 C ATOM 106 CD2 LEU A 228 4.160 -9.135 6.736 1.00 0.00 C ATOM 0 H LEU A 228 1.614 -11.681 3.634 1.00 0.00 H new ATOM 0 HA LEU A 228 3.953 -10.055 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 228 2.695 -12.207 6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 228 4.393 -11.793 6.217 1.00 0.00 H new ATOM 0 HG LEU A 228 2.121 -9.769 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 228 2.654 -9.809 8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 228 2.117 -11.409 8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 228 3.847 -11.097 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 228 3.892 -8.287 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 228 5.102 -9.561 7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 228 4.270 -8.800 5.705 1.00 0.00 H new ATOM 118 N LEU A 229 4.160 -11.920 2.325 1.00 0.00 N ATOM 119 CA LEU A 229 4.820 -12.895 1.463 1.00 0.00 C ATOM 120 C LEU A 229 6.312 -12.942 1.764 1.00 0.00 C ATOM 121 O LEU A 229 6.939 -13.998 1.694 1.00 0.00 O ATOM 122 CB LEU A 229 4.605 -12.530 -0.010 1.00 0.00 C ATOM 123 CG LEU A 229 5.194 -11.146 -0.292 1.00 0.00 C ATOM 124 CD1 LEU A 229 6.534 -11.295 -1.019 1.00 0.00 C ATOM 125 CD2 LEU A 229 4.229 -10.351 -1.178 1.00 0.00 C ATOM 0 H LEU A 229 3.733 -11.135 1.834 1.00 0.00 H new ATOM 0 HA LEU A 229 4.386 -13.876 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 229 5.078 -13.274 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 229 3.541 -12.537 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 229 5.346 -10.622 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 229 6.951 -10.308 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 229 7.225 -11.862 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 229 6.380 -11.821 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 229 4.648 -9.365 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 229 4.079 -10.880 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.272 -10.241 -0.667 1.00 0.00 H new ATOM 137 N PHE A 230 6.871 -11.788 2.101 1.00 0.00 N ATOM 138 CA PHE A 230 8.288 -11.695 2.416 1.00 0.00 C ATOM 139 C PHE A 230 8.647 -12.644 3.554 1.00 0.00 C ATOM 140 O PHE A 230 9.822 -12.913 3.804 1.00 0.00 O ATOM 141 CB PHE A 230 8.626 -10.261 2.817 1.00 0.00 C ATOM 142 CG PHE A 230 7.566 -9.330 2.284 1.00 0.00 C ATOM 143 CD1 PHE A 230 6.399 -9.104 3.022 1.00 0.00 C ATOM 144 CD2 PHE A 230 7.747 -8.697 1.048 1.00 0.00 C ATOM 145 CE1 PHE A 230 5.412 -8.244 2.526 1.00 0.00 C ATOM 146 CE2 PHE A 230 6.762 -7.836 0.552 1.00 0.00 C ATOM 147 CZ PHE A 230 5.592 -7.610 1.291 1.00 0.00 C ATOM 0 H PHE A 230 6.365 -10.905 2.163 1.00 0.00 H new ATOM 0 HA PHE A 230 8.864 -11.976 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 230 8.685 -10.179 3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 230 9.603 -9.982 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 230 6.260 -9.593 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 230 8.647 -8.873 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 230 4.512 -8.070 3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 230 6.903 -7.346 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 230 4.830 -6.947 0.908 1.00 0.00 H new ATOM 157 N GLY A 231 7.626 -13.144 4.241 1.00 0.00 N ATOM 158 CA GLY A 231 7.840 -14.062 5.355 1.00 0.00 C ATOM 159 C GLY A 231 8.951 -15.056 5.039 1.00 0.00 C ATOM 160 O GLY A 231 9.880 -15.233 5.828 1.00 0.00 O ATOM 0 H GLY A 231 6.647 -12.931 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 231 8.096 -13.498 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 231 6.917 -14.600 5.570 1.00 0.00 H new ATOM 164 N SER A 232 8.852 -15.703 3.883 1.00 0.00 N ATOM 165 CA SER A 232 9.859 -16.677 3.478 1.00 0.00 C ATOM 166 C SER A 232 11.256 -16.123 3.723 1.00 0.00 C ATOM 167 O SER A 232 12.178 -16.861 4.074 1.00 0.00 O ATOM 168 CB SER A 232 9.693 -17.019 1.998 1.00 0.00 C ATOM 169 OG SER A 232 9.747 -18.429 1.833 1.00 0.00 O ATOM 0 H SER A 232 8.092 -15.573 3.215 1.00 0.00 H new ATOM 0 HA SER A 232 9.727 -17.582 4.071 1.00 0.00 H new ATOM 0 HB2 SER A 232 8.742 -16.634 1.628 1.00 0.00 H new ATOM 0 HB3 SER A 232 10.479 -16.542 1.412 1.00 0.00 H new ATOM 0 HG SER A 232 9.639 -18.652 0.885 1.00 0.00 H new ATOM 175 N ILE A 233 11.399 -14.819 3.536 1.00 0.00 N ATOM 176 CA ILE A 233 12.684 -14.161 3.739 1.00 0.00 C ATOM 177 C ILE A 233 12.786 -13.612 5.158 1.00 0.00 C ATOM 178 O ILE A 233 13.762 -13.863 5.864 1.00 0.00 O ATOM 179 CB ILE A 233 12.845 -13.019 2.735 1.00 0.00 C ATOM 180 CG1 ILE A 233 13.007 -13.599 1.327 1.00 0.00 C ATOM 181 CG2 ILE A 233 14.080 -12.192 3.094 1.00 0.00 C ATOM 182 CD1 ILE A 233 12.135 -12.812 0.347 1.00 0.00 C ATOM 0 H ILE A 233 10.645 -14.197 3.245 1.00 0.00 H new ATOM 0 HA ILE A 233 13.477 -14.894 3.588 1.00 0.00 H new ATOM 0 HB ILE A 233 11.962 -12.380 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 233 14.052 -13.550 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 233 12.721 -14.651 1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 233 14.194 -11.378 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 233 13.963 -11.780 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 233 14.965 -12.828 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 233 12.250 -13.225 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 233 11.091 -12.883 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 233 12.442 -11.766 0.346 1.00 0.00 H new ATOM 194 N ILE A 234 11.770 -12.858 5.568 1.00 0.00 N ATOM 195 CA ILE A 234 11.750 -12.272 6.902 1.00 0.00 C ATOM 196 C ILE A 234 11.462 -13.338 7.956 1.00 0.00 C ATOM 197 O ILE A 234 12.299 -13.617 8.814 1.00 0.00 O ATOM 198 CB ILE A 234 10.683 -11.174 6.969 1.00 0.00 C ATOM 199 CG1 ILE A 234 11.269 -9.868 6.427 1.00 0.00 C ATOM 200 CG2 ILE A 234 10.239 -10.968 8.419 1.00 0.00 C ATOM 201 CD1 ILE A 234 10.146 -8.853 6.205 1.00 0.00 C ATOM 0 H ILE A 234 10.953 -12.640 4.997 1.00 0.00 H new ATOM 0 HA ILE A 234 12.730 -11.840 7.106 1.00 0.00 H new ATOM 0 HB ILE A 234 9.822 -11.470 6.369 1.00 0.00 H new ATOM 0 HG12 ILE A 234 12.001 -9.468 7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 234 11.794 -10.055 5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 234 9.481 -10.186 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 234 9.823 -11.898 8.808 1.00 0.00 H new ATOM 0 HG23 ILE A 234 11.097 -10.673 9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 234 10.566 -7.924 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 234 9.430 -9.253 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 234 9.640 -8.657 7.151 1.00 0.00 H new ATOM 213 N SER A 235 10.274 -13.930 7.886 1.00 0.00 N ATOM 214 CA SER A 235 9.890 -14.964 8.843 1.00 0.00 C ATOM 215 C SER A 235 10.948 -16.061 8.903 1.00 0.00 C ATOM 216 O SER A 235 10.889 -16.945 9.757 1.00 0.00 O ATOM 217 CB SER A 235 8.544 -15.570 8.444 1.00 0.00 C ATOM 218 OG SER A 235 8.012 -16.296 9.546 1.00 0.00 O ATOM 0 H SER A 235 9.566 -13.715 7.184 1.00 0.00 H new ATOM 0 HA SER A 235 9.804 -14.506 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 235 7.852 -14.783 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 235 8.669 -16.229 7.585 1.00 0.00 H new ATOM 0 HG SER A 235 8.737 -16.765 10.009 1.00 0.00 H new ATOM 224 N ALA A 236 11.914 -15.998 7.992 1.00 0.00 N ATOM 225 CA ALA A 236 12.979 -16.992 7.952 1.00 0.00 C ATOM 226 C ALA A 236 14.112 -16.602 8.895 1.00 0.00 C ATOM 227 O ALA A 236 14.816 -17.461 9.426 1.00 0.00 O ATOM 228 CB ALA A 236 13.519 -17.122 6.527 1.00 0.00 C ATOM 0 H ALA A 236 11.981 -15.274 7.276 1.00 0.00 H new ATOM 0 HA ALA A 236 12.569 -17.950 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 236 14.315 -17.867 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 236 12.714 -17.431 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 236 13.913 -16.161 6.198 1.00 0.00 H new ATOM 234 N VAL A 237 14.283 -15.300 9.098 1.00 0.00 N ATOM 235 CA VAL A 237 15.335 -14.805 9.980 1.00 0.00 C ATOM 236 C VAL A 237 15.248 -15.472 11.348 1.00 0.00 C ATOM 237 O VAL A 237 14.232 -15.366 12.037 1.00 0.00 O ATOM 238 CB VAL A 237 15.210 -13.290 10.142 1.00 0.00 C ATOM 239 CG1 VAL A 237 16.225 -12.802 11.177 1.00 0.00 C ATOM 240 CG2 VAL A 237 15.488 -12.611 8.798 1.00 0.00 C ATOM 0 H VAL A 237 13.712 -14.573 8.668 1.00 0.00 H new ATOM 0 HA VAL A 237 16.299 -15.045 9.532 1.00 0.00 H new ATOM 0 HB VAL A 237 14.203 -13.042 10.476 1.00 0.00 H new ATOM 0 HG11 VAL A 237 16.136 -11.722 11.293 1.00 0.00 H new ATOM 0 HG12 VAL A 237 16.031 -13.287 12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 237 17.233 -13.049 10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 237 15.399 -11.531 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 237 16.496 -12.860 8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 237 14.767 -12.959 8.059 1.00 0.00 H new ATOM 250 N ASP A 238 16.321 -16.155 11.735 1.00 0.00 N ATOM 251 CA ASP A 238 16.365 -16.836 13.026 1.00 0.00 C ATOM 252 C ASP A 238 15.700 -15.975 14.110 1.00 0.00 C ATOM 253 O ASP A 238 16.295 -15.000 14.567 1.00 0.00 O ATOM 254 CB ASP A 238 17.820 -17.098 13.417 1.00 0.00 C ATOM 255 CG ASP A 238 18.548 -17.803 12.278 1.00 0.00 C ATOM 256 OD1 ASP A 238 18.268 -18.971 12.057 1.00 0.00 O ATOM 257 OD2 ASP A 238 19.372 -17.167 11.643 1.00 0.00 O1- ATOM 0 H ASP A 238 17.169 -16.252 11.176 1.00 0.00 H new ATOM 0 HA ASP A 238 15.826 -17.780 12.941 1.00 0.00 H new ATOM 0 HB2 ASP A 238 18.318 -16.157 13.650 1.00 0.00 H new ATOM 0 HB3 ASP A 238 17.858 -17.710 14.318 1.00 0.00 H new ATOM 262 N PRO A 239 14.493 -16.294 14.534 1.00 0.00 N ATOM 263 CA PRO A 239 13.790 -15.498 15.581 1.00 0.00 C ATOM 264 C PRO A 239 14.700 -15.165 16.760 1.00 0.00 C ATOM 265 O PRO A 239 14.449 -14.213 17.500 1.00 0.00 O ATOM 266 CB PRO A 239 12.639 -16.407 16.011 1.00 0.00 C ATOM 267 CG PRO A 239 12.339 -17.236 14.811 1.00 0.00 C ATOM 268 CD PRO A 239 13.667 -17.430 14.078 1.00 0.00 C ATOM 0 HA PRO A 239 13.456 -14.530 15.207 1.00 0.00 H new ATOM 0 HB2 PRO A 239 12.922 -17.029 16.860 1.00 0.00 H new ATOM 0 HB3 PRO A 239 11.769 -15.826 16.317 1.00 0.00 H new ATOM 0 HG2 PRO A 239 11.911 -18.196 15.099 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.610 -16.741 14.169 1.00 0.00 H new ATOM 0 HD2 PRO A 239 14.127 -18.385 14.331 1.00 0.00 H new ATOM 0 HD3 PRO A 239 13.532 -17.417 12.996 1.00 0.00 H new ATOM 276 N VAL A 240 15.758 -15.952 16.925 1.00 0.00 N ATOM 277 CA VAL A 240 16.699 -15.725 18.015 1.00 0.00 C ATOM 278 C VAL A 240 17.358 -14.358 17.864 1.00 0.00 C ATOM 279 O VAL A 240 17.701 -13.709 18.853 1.00 0.00 O ATOM 280 CB VAL A 240 17.773 -16.815 18.016 1.00 0.00 C ATOM 281 CG1 VAL A 240 19.011 -16.312 18.761 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.229 -18.062 18.715 1.00 0.00 C ATOM 0 H VAL A 240 15.984 -16.745 16.324 1.00 0.00 H new ATOM 0 HA VAL A 240 16.154 -15.757 18.959 1.00 0.00 H new ATOM 0 HB VAL A 240 18.043 -17.061 16.989 1.00 0.00 H new ATOM 0 HG11 VAL A 240 19.776 -17.089 18.762 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.398 -15.422 18.265 1.00 0.00 H new ATOM 0 HG13 VAL A 240 18.743 -16.066 19.788 1.00 0.00 H new ATOM 0 HG21 VAL A 240 17.992 -18.840 18.717 1.00 0.00 H new ATOM 0 HG22 VAL A 240 16.960 -17.815 19.742 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.347 -18.421 18.185 1.00 0.00 H new ATOM 292 N ALA A 241 17.525 -13.927 16.619 1.00 0.00 N ATOM 293 CA ALA A 241 18.138 -12.634 16.342 1.00 0.00 C ATOM 294 C ALA A 241 17.095 -11.525 16.425 1.00 0.00 C ATOM 295 O ALA A 241 17.418 -10.373 16.716 1.00 0.00 O ATOM 296 CB ALA A 241 18.765 -12.643 14.945 1.00 0.00 C ATOM 0 H ALA A 241 17.246 -14.451 15.789 1.00 0.00 H new ATOM 0 HA ALA A 241 18.913 -12.449 17.086 1.00 0.00 H new ATOM 0 HB1 ALA A 241 19.221 -11.674 14.745 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.527 -13.420 14.893 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.993 -12.841 14.201 1.00 0.00 H new ATOM 302 N VAL A 242 15.842 -11.883 16.169 1.00 0.00 N ATOM 303 CA VAL A 242 14.753 -10.915 16.218 1.00 0.00 C ATOM 304 C VAL A 242 14.189 -10.814 17.632 1.00 0.00 C ATOM 305 O VAL A 242 13.526 -9.837 17.979 1.00 0.00 O ATOM 306 CB VAL A 242 13.643 -11.329 15.253 1.00 0.00 C ATOM 307 CG1 VAL A 242 12.804 -10.105 14.881 1.00 0.00 C ATOM 308 CG2 VAL A 242 14.265 -11.923 13.986 1.00 0.00 C ATOM 0 H VAL A 242 15.556 -12.832 15.927 1.00 0.00 H new ATOM 0 HA VAL A 242 15.144 -9.941 15.925 1.00 0.00 H new ATOM 0 HB VAL A 242 13.006 -12.073 15.731 1.00 0.00 H new ATOM 0 HG11 VAL A 242 12.013 -10.402 14.193 1.00 0.00 H new ATOM 0 HG12 VAL A 242 12.361 -9.680 15.782 1.00 0.00 H new ATOM 0 HG13 VAL A 242 13.440 -9.360 14.403 1.00 0.00 H new ATOM 0 HG21 VAL A 242 13.474 -12.219 13.297 1.00 0.00 H new ATOM 0 HG22 VAL A 242 14.902 -11.178 13.509 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.862 -12.796 14.249 1.00 0.00 H new ATOM 318 N LEU A 243 14.456 -11.833 18.443 1.00 0.00 N ATOM 319 CA LEU A 243 13.969 -11.852 19.818 1.00 0.00 C ATOM 320 C LEU A 243 14.499 -10.650 20.592 1.00 0.00 C ATOM 321 O LEU A 243 13.724 -9.850 21.120 1.00 0.00 O ATOM 322 CB LEU A 243 14.413 -13.142 20.509 1.00 0.00 C ATOM 323 CG LEU A 243 13.614 -13.334 21.798 1.00 0.00 C ATOM 324 CD1 LEU A 243 12.359 -14.156 21.505 1.00 0.00 C ATOM 325 CD2 LEU A 243 14.477 -14.069 22.826 1.00 0.00 C ATOM 0 H LEU A 243 15.003 -12.651 18.175 1.00 0.00 H new ATOM 0 HA LEU A 243 12.880 -11.805 19.799 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.261 -13.993 19.845 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.479 -13.098 20.733 1.00 0.00 H new ATOM 0 HG LEU A 243 13.324 -12.361 22.194 1.00 0.00 H new ATOM 0 HD11 LEU A 243 11.790 -14.292 22.425 1.00 0.00 H new ATOM 0 HD12 LEU A 243 11.744 -13.633 20.772 1.00 0.00 H new ATOM 0 HD13 LEU A 243 12.646 -15.130 21.109 1.00 0.00 H new ATOM 0 HD21 LEU A 243 13.909 -14.207 23.746 1.00 0.00 H new ATOM 0 HD22 LEU A 243 14.766 -15.042 22.429 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.371 -13.482 23.036 1.00 0.00 H new ATOM 337 N ALA A 244 15.820 -10.530 20.659 1.00 0.00 N ATOM 338 CA ALA A 244 16.443 -9.423 21.376 1.00 0.00 C ATOM 339 C ALA A 244 15.697 -8.121 21.107 1.00 0.00 C ATOM 340 O ALA A 244 15.691 -7.214 21.939 1.00 0.00 O ATOM 341 CB ALA A 244 17.902 -9.277 20.943 1.00 0.00 C ATOM 0 H ALA A 244 16.477 -11.181 20.229 1.00 0.00 H new ATOM 0 HA ALA A 244 16.401 -9.637 22.444 1.00 0.00 H new ATOM 0 HB1 ALA A 244 18.361 -8.448 21.483 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.441 -10.198 21.165 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.946 -9.081 19.872 1.00 0.00 H new ATOM 347 N VAL A 245 15.068 -8.040 19.942 1.00 0.00 N ATOM 348 CA VAL A 245 14.315 -6.847 19.571 1.00 0.00 C ATOM 349 C VAL A 245 12.840 -7.020 19.915 1.00 0.00 C ATOM 350 O VAL A 245 12.292 -6.288 20.737 1.00 0.00 O ATOM 351 CB VAL A 245 14.462 -6.577 18.074 1.00 0.00 C ATOM 352 CG1 VAL A 245 14.595 -5.073 17.836 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.714 -7.288 17.549 1.00 0.00 C ATOM 0 H VAL A 245 15.063 -8.781 19.241 1.00 0.00 H new ATOM 0 HA VAL A 245 14.713 -6.001 20.131 1.00 0.00 H new ATOM 0 HB VAL A 245 13.582 -6.951 17.550 1.00 0.00 H new ATOM 0 HG11 VAL A 245 14.700 -4.881 16.768 1.00 0.00 H new ATOM 0 HG12 VAL A 245 13.706 -4.565 18.210 1.00 0.00 H new ATOM 0 HG13 VAL A 245 15.474 -4.698 18.360 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.820 -7.096 16.481 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.592 -6.913 18.074 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.621 -8.361 17.718 1.00 0.00 H new ATOM 363 N PHE A 246 12.203 -7.994 19.275 1.00 0.00 N ATOM 364 CA PHE A 246 10.790 -8.255 19.515 1.00 0.00 C ATOM 365 C PHE A 246 10.499 -8.331 21.012 1.00 0.00 C ATOM 366 O PHE A 246 9.344 -8.271 21.432 1.00 0.00 O ATOM 367 CB PHE A 246 10.381 -9.571 18.851 1.00 0.00 C ATOM 368 CG PHE A 246 9.183 -10.138 19.572 1.00 0.00 C ATOM 369 CD1 PHE A 246 9.362 -10.962 20.688 1.00 0.00 C ATOM 370 CD2 PHE A 246 7.890 -9.835 19.124 1.00 0.00 C ATOM 371 CE1 PHE A 246 8.249 -11.485 21.360 1.00 0.00 C ATOM 372 CE2 PHE A 246 6.778 -10.358 19.795 1.00 0.00 C ATOM 373 CZ PHE A 246 6.957 -11.183 20.912 1.00 0.00 C ATOM 0 H PHE A 246 12.639 -8.612 18.591 1.00 0.00 H new ATOM 0 HA PHE A 246 10.215 -7.434 19.086 1.00 0.00 H new ATOM 0 HB2 PHE A 246 10.143 -9.404 17.801 1.00 0.00 H new ATOM 0 HB3 PHE A 246 11.208 -10.280 18.881 1.00 0.00 H new ATOM 0 HD1 PHE A 246 10.359 -11.195 21.032 1.00 0.00 H new ATOM 0 HD2 PHE A 246 7.752 -9.199 18.262 1.00 0.00 H new ATOM 0 HE1 PHE A 246 8.387 -12.120 22.222 1.00 0.00 H new ATOM 0 HE2 PHE A 246 5.781 -10.125 19.451 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.098 -11.587 21.428 1.00 0.00 H new ATOM 383 N GLU A 247 11.552 -8.468 21.810 1.00 0.00 N ATOM 384 CA GLU A 247 11.395 -8.556 23.258 1.00 0.00 C ATOM 385 C GLU A 247 11.075 -7.187 23.853 1.00 0.00 C ATOM 386 O GLU A 247 10.398 -7.088 24.876 1.00 0.00 O ATOM 387 CB GLU A 247 12.673 -9.106 23.892 1.00 0.00 C ATOM 388 CG GLU A 247 13.775 -8.048 23.819 1.00 0.00 C ATOM 389 CD GLU A 247 13.788 -7.215 25.096 1.00 0.00 C ATOM 390 OE1 GLU A 247 14.438 -7.628 26.043 1.00 0.00 O ATOM 391 OE2 GLU A 247 13.154 -6.173 25.106 1.00 0.00 O1- ATOM 0 H GLU A 247 12.517 -8.520 21.483 1.00 0.00 H new ATOM 0 HA GLU A 247 10.566 -9.231 23.470 1.00 0.00 H new ATOM 0 HB2 GLU A 247 12.487 -9.382 24.930 1.00 0.00 H new ATOM 0 HB3 GLU A 247 12.988 -10.011 23.373 1.00 0.00 H new ATOM 0 HG2 GLU A 247 14.743 -8.529 23.680 1.00 0.00 H new ATOM 0 HG3 GLU A 247 13.613 -7.402 22.956 1.00 0.00 H new ATOM 398 N GLU A 248 11.569 -6.133 23.210 1.00 0.00 N ATOM 399 CA GLU A 248 11.330 -4.778 23.690 1.00 0.00 C ATOM 400 C GLU A 248 10.100 -4.175 23.020 1.00 0.00 C ATOM 401 O GLU A 248 9.597 -3.137 23.448 1.00 0.00 O ATOM 402 CB GLU A 248 12.554 -3.900 23.413 1.00 0.00 C ATOM 403 CG GLU A 248 12.451 -3.286 22.013 1.00 0.00 C ATOM 404 CD GLU A 248 13.825 -2.822 21.547 1.00 0.00 C ATOM 405 OE1 GLU A 248 14.470 -2.101 22.289 1.00 0.00 O ATOM 406 OE2 GLU A 248 14.214 -3.195 20.453 1.00 0.00 O1- ATOM 0 H GLU A 248 12.133 -6.191 22.362 1.00 0.00 H new ATOM 0 HA GLU A 248 11.153 -4.822 24.765 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.623 -3.111 24.161 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.464 -4.495 23.493 1.00 0.00 H new ATOM 0 HG2 GLU A 248 12.049 -4.019 21.314 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.758 -2.444 22.026 1.00 0.00 H new ATOM 413 N ILE A 249 9.622 -4.827 21.966 1.00 0.00 N ATOM 414 CA ILE A 249 8.451 -4.338 21.244 1.00 0.00 C ATOM 415 C ILE A 249 7.166 -4.758 21.951 1.00 0.00 C ATOM 416 O ILE A 249 6.443 -3.921 22.489 1.00 0.00 O ATOM 417 CB ILE A 249 8.449 -4.889 19.819 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.588 -4.248 19.022 1.00 0.00 C ATOM 419 CG2 ILE A 249 7.114 -4.566 19.146 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.785 -5.008 17.709 1.00 0.00 C ATOM 0 H ILE A 249 10.022 -5.688 21.594 1.00 0.00 H new ATOM 0 HA ILE A 249 8.498 -3.249 21.216 1.00 0.00 H new ATOM 0 HB ILE A 249 8.588 -5.970 19.849 1.00 0.00 H new ATOM 0 HG12 ILE A 249 9.359 -3.202 18.818 1.00 0.00 H new ATOM 0 HG13 ILE A 249 10.508 -4.265 19.606 1.00 0.00 H new ATOM 0 HG21 ILE A 249 7.114 -4.960 18.130 1.00 0.00 H new ATOM 0 HG22 ILE A 249 6.302 -5.022 19.712 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.973 -3.486 19.116 1.00 0.00 H new ATOM 0 HD11 ILE A 249 10.596 -4.551 17.142 1.00 0.00 H new ATOM 0 HD12 ILE A 249 10.033 -6.047 17.924 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.866 -4.968 17.124 1.00 0.00 H new ATOM 432 N HIS A 250 6.886 -6.056 21.945 1.00 0.00 N ATOM 433 CA HIS A 250 5.681 -6.568 22.590 1.00 0.00 C ATOM 434 C HIS A 250 5.581 -6.049 24.021 1.00 0.00 C ATOM 435 O HIS A 250 4.520 -6.107 24.641 1.00 0.00 O ATOM 436 CB HIS A 250 5.700 -8.096 22.596 1.00 0.00 C ATOM 437 CG HIS A 250 6.434 -8.585 23.814 1.00 0.00 C ATOM 438 ND1 HIS A 250 5.832 -9.391 24.767 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.722 -8.390 24.247 1.00 0.00 C ATOM 440 CE1 HIS A 250 6.748 -9.648 25.719 1.00 0.00 C ATOM 441 NE2 HIS A 250 7.918 -9.062 25.451 1.00 0.00 N ATOM 0 H HIS A 250 7.470 -6.768 21.506 1.00 0.00 H new ATOM 0 HA HIS A 250 4.814 -6.221 22.028 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.681 -8.483 22.593 1.00 0.00 H new ATOM 0 HB3 HIS A 250 6.184 -8.468 21.693 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.470 -7.805 23.732 1.00 0.00 H new ATOM 0 HE1 HIS A 250 6.560 -10.254 26.593 1.00 0.00 H new ATOM 0 HE2 HIS A 250 8.771 -9.099 26.008 1.00 0.00 H new ATOM 449 N LYS A 251 6.695 -5.541 24.538 1.00 0.00 N ATOM 450 CA LYS A 251 6.724 -5.012 25.897 1.00 0.00 C ATOM 451 C LYS A 251 6.379 -3.527 25.894 1.00 0.00 C ATOM 452 O LYS A 251 5.930 -2.979 26.902 1.00 0.00 O ATOM 453 CB LYS A 251 8.111 -5.224 26.507 1.00 0.00 C ATOM 454 CG LYS A 251 8.162 -4.609 27.907 1.00 0.00 C ATOM 455 CD LYS A 251 8.916 -3.275 27.858 1.00 0.00 C ATOM 456 CE LYS A 251 10.421 -3.542 27.788 1.00 0.00 C ATOM 457 NZ LYS A 251 11.019 -3.370 29.142 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.584 -5.484 24.041 1.00 0.00 H new ATOM 0 HA LYS A 251 5.984 -5.542 26.497 1.00 0.00 H new ATOM 0 HB2 LYS A 251 8.336 -6.289 26.560 1.00 0.00 H new ATOM 0 HB3 LYS A 251 8.871 -4.769 25.872 1.00 0.00 H new ATOM 0 HG2 LYS A 251 7.151 -4.453 28.283 1.00 0.00 H new ATOM 0 HG3 LYS A 251 8.657 -5.292 28.597 1.00 0.00 H new ATOM 0 HD2 LYS A 251 8.598 -2.697 26.991 1.00 0.00 H new ATOM 0 HD3 LYS A 251 8.682 -2.680 28.741 1.00 0.00 H new ATOM 0 HE2 LYS A 251 10.605 -4.552 27.423 1.00 0.00 H new ATOM 0 HE3 LYS A 251 10.890 -2.857 27.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 12.042 -3.551 29.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 10.854 -2.398 29.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 10.578 -4.041 29.804 1.00 0.00 H new ATOM 471 N LYS A 252 6.587 -2.886 24.752 1.00 0.00 N ATOM 472 CA LYS A 252 6.292 -1.465 24.617 1.00 0.00 C ATOM 473 C LYS A 252 4.957 -1.269 23.906 1.00 0.00 C ATOM 474 O LYS A 252 4.097 -0.520 24.368 1.00 0.00 O ATOM 475 CB LYS A 252 7.412 -0.778 23.826 1.00 0.00 C ATOM 476 CG LYS A 252 7.487 0.712 24.189 1.00 0.00 C ATOM 477 CD LYS A 252 6.204 1.426 23.754 1.00 0.00 C ATOM 478 CE LYS A 252 6.512 2.896 23.467 1.00 0.00 C ATOM 479 NZ LYS A 252 5.294 3.717 23.718 1.00 0.00 N1+ ATOM 0 H LYS A 252 6.957 -3.324 23.909 1.00 0.00 H new ATOM 0 HA LYS A 252 6.228 -1.020 25.610 1.00 0.00 H new ATOM 0 HB2 LYS A 252 8.366 -1.260 24.041 1.00 0.00 H new ATOM 0 HB3 LYS A 252 7.232 -0.890 22.757 1.00 0.00 H new ATOM 0 HG2 LYS A 252 7.629 0.826 25.264 1.00 0.00 H new ATOM 0 HG3 LYS A 252 8.349 1.169 23.704 1.00 0.00 H new ATOM 0 HD2 LYS A 252 5.793 0.949 22.864 1.00 0.00 H new ATOM 0 HD3 LYS A 252 5.448 1.347 24.536 1.00 0.00 H new ATOM 0 HE2 LYS A 252 7.331 3.237 24.101 1.00 0.00 H new ATOM 0 HE3 LYS A 252 6.837 3.015 22.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 5.503 4.717 23.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 4.525 3.396 23.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 5.003 3.612 24.711 1.00 0.00 H new ATOM 493 N LYS A 253 4.792 -1.953 22.781 1.00 0.00 N ATOM 494 CA LYS A 253 3.558 -1.853 22.011 1.00 0.00 C ATOM 495 C LYS A 253 2.346 -2.109 22.901 1.00 0.00 C ATOM 496 O LYS A 253 1.485 -1.242 23.049 1.00 0.00 O ATOM 497 CB LYS A 253 3.576 -2.868 20.864 1.00 0.00 C ATOM 498 CG LYS A 253 3.818 -2.141 19.539 1.00 0.00 C ATOM 499 CD LYS A 253 2.566 -1.351 19.145 1.00 0.00 C ATOM 500 CE LYS A 253 1.912 -2.007 17.927 1.00 0.00 C ATOM 501 NZ LYS A 253 0.697 -1.236 17.541 1.00 0.00 N1+ ATOM 0 H LYS A 253 5.492 -2.579 22.383 1.00 0.00 H new ATOM 0 HA LYS A 253 3.487 -0.844 21.604 1.00 0.00 H new ATOM 0 HB2 LYS A 253 4.358 -3.608 21.032 1.00 0.00 H new ATOM 0 HB3 LYS A 253 2.629 -3.407 20.827 1.00 0.00 H new ATOM 0 HG2 LYS A 253 4.670 -1.467 19.633 1.00 0.00 H new ATOM 0 HG3 LYS A 253 4.066 -2.861 18.759 1.00 0.00 H new ATOM 0 HD2 LYS A 253 1.863 -1.323 19.978 1.00 0.00 H new ATOM 0 HD3 LYS A 253 2.831 -0.319 18.917 1.00 0.00 H new ATOM 0 HE2 LYS A 253 2.616 -2.038 17.095 1.00 0.00 H new ATOM 0 HE3 LYS A 253 1.644 -3.038 18.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 0.252 -1.681 16.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 0.024 -1.229 18.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 0.966 -0.259 17.306 1.00 0.00 H new HETATM 515 N NH2 A 254 2.227 -3.258 23.507 1.00 0.00 N TER 518 NH2 A 254