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+ -154:sc= -0.897 (180deg=-1.57) USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 LYS NZ :NH3+ 146:sc= -0.168 (180deg=-1.17) USER MOD Single : A 227 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.0044) 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= -0.409 X(o=-0.41,f=-0.014) USER MOD Single : A 251 LYS NZ :NH3+ 147:sc= -0.182 (180deg=-1.34!) USER MOD Single : A 252 LYS NZ :NH3+ 150:sc= -0.0565 (180deg=-0.578) USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 17.647 6.603 6.980 1.00 0.00 C HETATM 2 O ACE A 222 16.640 6.726 7.677 1.00 0.00 O HETATM 3 CH3 ACE A 222 18.826 5.758 7.451 1.00 0.00 C HETATM 0 H1 ACE A 222 19.002 4.951 6.740 1.00 0.00 H new HETATM 0 H2 ACE A 222 19.717 6.382 7.520 1.00 0.00 H new HETATM 0 H3 ACE A 222 18.603 5.336 8.431 1.00 0.00 H new ATOM 7 N LYS A 223 17.779 7.181 5.791 1.00 0.00 N ATOM 8 CA LYS A 223 16.717 8.013 5.235 1.00 0.00 C ATOM 9 C LYS A 223 16.539 7.731 3.746 1.00 0.00 C ATOM 10 O LYS A 223 17.465 7.274 3.076 1.00 0.00 O ATOM 11 CB LYS A 223 17.051 9.493 5.439 1.00 0.00 C ATOM 12 CG LYS A 223 17.611 9.700 6.848 1.00 0.00 C ATOM 13 CD LYS A 223 17.514 11.181 7.222 1.00 0.00 C ATOM 14 CE LYS A 223 18.238 12.022 6.169 1.00 0.00 C ATOM 15 NZ LYS A 223 19.536 11.379 5.826 1.00 0.00 N1+ ATOM 0 H LYS A 223 18.604 7.090 5.197 1.00 0.00 H new ATOM 0 HA LYS A 223 15.787 7.776 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 223 17.779 9.818 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 223 16.158 10.101 5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 223 17.055 9.096 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 223 18.649 9.370 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 223 16.469 11.483 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 223 17.957 11.349 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 223 17.620 12.117 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 223 18.408 13.030 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 20.202 12.102 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 19.928 10.916 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 19.386 10.669 5.081 1.00 0.00 H new ATOM 29 N LYS A 224 15.343 8.006 3.237 1.00 0.00 N ATOM 30 CA LYS A 224 15.054 7.776 1.825 1.00 0.00 C ATOM 31 C LYS A 224 15.434 6.355 1.425 1.00 0.00 C ATOM 32 O LYS A 224 16.455 6.135 0.774 1.00 0.00 O ATOM 33 CB LYS A 224 15.831 8.775 0.965 1.00 0.00 C ATOM 34 CG LYS A 224 15.390 10.200 1.312 1.00 0.00 C ATOM 35 CD LYS A 224 16.109 11.194 0.399 1.00 0.00 C ATOM 36 CE LYS A 224 15.275 11.426 -0.862 1.00 0.00 C ATOM 37 NZ LYS A 224 15.996 12.364 -1.769 1.00 0.00 N1+ ATOM 0 H LYS A 224 14.564 8.385 3.775 1.00 0.00 H new ATOM 0 HA LYS A 224 13.984 7.912 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 224 16.902 8.663 1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 224 15.654 8.576 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 224 14.311 10.297 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 224 15.617 10.418 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 224 16.266 12.137 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 224 17.094 10.811 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 224 15.094 10.479 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 224 14.301 11.837 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 15.429 12.522 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 16.147 13.270 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 16.915 11.955 -2.032 1.00 0.00 H new ATOM 51 N LYS A 225 14.604 5.394 1.817 1.00 0.00 N ATOM 52 CA LYS A 225 14.863 3.995 1.493 1.00 0.00 C ATOM 53 C LYS A 225 13.553 3.245 1.280 1.00 0.00 C ATOM 54 O LYS A 225 13.122 2.474 2.138 1.00 0.00 O ATOM 55 CB LYS A 225 15.655 3.335 2.623 1.00 0.00 C ATOM 56 CG LYS A 225 16.900 4.171 2.932 1.00 0.00 C ATOM 57 CD LYS A 225 17.812 3.396 3.885 1.00 0.00 C ATOM 58 CE LYS A 225 18.954 2.759 3.092 1.00 0.00 C ATOM 59 NZ LYS A 225 19.773 3.828 2.456 1.00 0.00 N1+ ATOM 0 H LYS A 225 13.753 5.556 2.355 1.00 0.00 H new ATOM 0 HA LYS A 225 15.445 3.955 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 225 15.033 3.247 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 225 15.945 2.324 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 225 17.433 4.403 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 225 16.611 5.121 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 225 18.213 4.065 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 225 17.242 2.626 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 225 19.576 2.154 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 225 18.553 2.091 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 20.769 3.532 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 19.434 3.995 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 19.688 4.705 3.008 1.00 0.00 H new ATOM 73 N ASP A 226 12.925 3.473 0.132 1.00 0.00 N ATOM 74 CA ASP A 226 11.664 2.811 -0.183 1.00 0.00 C ATOM 75 C ASP A 226 11.886 1.320 -0.416 1.00 0.00 C ATOM 76 O ASP A 226 10.932 0.549 -0.518 1.00 0.00 O ATOM 77 CB ASP A 226 11.043 3.438 -1.433 1.00 0.00 C ATOM 78 CG ASP A 226 9.616 2.932 -1.615 1.00 0.00 C ATOM 79 OD1 ASP A 226 8.990 2.615 -0.616 1.00 0.00 O1- ATOM 80 OD2 ASP A 226 9.170 2.869 -2.748 1.00 0.00 O ATOM 0 H ASP A 226 13.265 4.106 -0.592 1.00 0.00 H new ATOM 0 HA ASP A 226 10.987 2.939 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 226 11.044 4.524 -1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 226 11.641 3.189 -2.310 1.00 0.00 H new ATOM 85 N ASN A 227 13.150 0.920 -0.497 1.00 0.00 N ATOM 86 CA ASN A 227 13.486 -0.482 -0.717 1.00 0.00 C ATOM 87 C ASN A 227 13.904 -1.146 0.591 1.00 0.00 C ATOM 88 O ASN A 227 14.480 -0.501 1.468 1.00 0.00 O ATOM 89 CB ASN A 227 14.624 -0.593 -1.734 1.00 0.00 C ATOM 90 CG ASN A 227 14.193 0.011 -3.066 1.00 0.00 C ATOM 91 OD1 ASN A 227 13.863 -0.717 -4.002 1.00 0.00 O ATOM 92 ND2 ASN A 227 14.177 1.309 -3.209 1.00 0.00 N ATOM 0 H ASN A 227 13.954 1.542 -0.414 1.00 0.00 H new ATOM 0 HA ASN A 227 12.603 -0.991 -1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 227 15.508 -0.077 -1.360 1.00 0.00 H new ATOM 0 HB3 ASN A 227 14.899 -1.639 -1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 227 13.891 1.721 -4.097 1.00 0.00 H new ATOM 0 HD22 ASN A 227 14.451 1.911 -2.432 1.00 0.00 H new ATOM 99 N LEU A 228 13.610 -2.436 0.715 1.00 0.00 N ATOM 100 CA LEU A 228 13.959 -3.179 1.920 1.00 0.00 C ATOM 101 C LEU A 228 14.551 -4.537 1.558 1.00 0.00 C ATOM 102 O LEU A 228 14.136 -5.568 2.088 1.00 0.00 O ATOM 103 CB LEU A 228 12.716 -3.377 2.790 1.00 0.00 C ATOM 104 CG LEU A 228 12.384 -2.072 3.513 1.00 0.00 C ATOM 105 CD1 LEU A 228 10.873 -1.974 3.724 1.00 0.00 C ATOM 106 CD2 LEU A 228 13.091 -2.049 4.871 1.00 0.00 C ATOM 0 H LEU A 228 13.134 -2.986 0.000 1.00 0.00 H new ATOM 0 HA LEU A 228 14.703 -2.607 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 228 11.873 -3.687 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 228 12.890 -4.172 3.515 1.00 0.00 H new ATOM 0 HG LEU A 228 12.721 -1.228 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 228 10.637 -1.043 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 228 10.369 -1.991 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 228 10.534 -2.818 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 228 12.855 -1.119 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 228 12.753 -2.894 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 228 14.168 -2.118 4.721 1.00 0.00 H new ATOM 118 N LEU A 229 15.523 -4.531 0.651 1.00 0.00 N ATOM 119 CA LEU A 229 16.164 -5.769 0.225 1.00 0.00 C ATOM 120 C LEU A 229 16.692 -6.541 1.430 1.00 0.00 C ATOM 121 O LEU A 229 16.710 -7.772 1.431 1.00 0.00 O ATOM 122 CB LEU A 229 17.318 -5.459 -0.733 1.00 0.00 C ATOM 123 CG LEU A 229 18.133 -4.283 -0.195 1.00 0.00 C ATOM 124 CD1 LEU A 229 19.626 -4.593 -0.324 1.00 0.00 C ATOM 125 CD2 LEU A 229 17.806 -3.024 -1.001 1.00 0.00 C ATOM 0 H LEU A 229 15.881 -3.689 0.200 1.00 0.00 H new ATOM 0 HA LEU A 229 15.423 -6.382 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 229 17.956 -6.336 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 229 16.928 -5.221 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 229 17.884 -4.121 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 229 20.206 -3.754 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 229 19.862 -5.490 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 229 19.874 -4.756 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 229 18.387 -2.185 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 229 18.055 -3.188 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 229 16.743 -2.800 -0.911 1.00 0.00 H new ATOM 137 N PHE A 230 17.119 -5.810 2.453 1.00 0.00 N ATOM 138 CA PHE A 230 17.645 -6.437 3.660 1.00 0.00 C ATOM 139 C PHE A 230 16.646 -7.445 4.218 1.00 0.00 C ATOM 140 O PHE A 230 17.031 -8.488 4.746 1.00 0.00 O ATOM 141 CB PHE A 230 17.941 -5.371 4.716 1.00 0.00 C ATOM 142 CG PHE A 230 19.389 -4.957 4.623 1.00 0.00 C ATOM 143 CD1 PHE A 230 19.979 -4.754 3.370 1.00 0.00 C ATOM 144 CD2 PHE A 230 20.144 -4.778 5.789 1.00 0.00 C ATOM 145 CE1 PHE A 230 21.321 -4.370 3.282 1.00 0.00 C ATOM 146 CE2 PHE A 230 21.487 -4.393 5.700 1.00 0.00 C ATOM 147 CZ PHE A 230 22.076 -4.190 4.447 1.00 0.00 C ATOM 0 H PHE A 230 17.112 -4.790 2.472 1.00 0.00 H new ATOM 0 HA PHE A 230 18.567 -6.959 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 230 17.294 -4.506 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 230 17.727 -5.761 5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 230 19.398 -4.894 2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 230 19.690 -4.937 6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 230 21.775 -4.212 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 230 22.069 -4.253 6.599 1.00 0.00 H new ATOM 0 HZ PHE A 230 23.113 -3.895 4.379 1.00 0.00 H new ATOM 157 N GLY A 231 15.363 -7.124 4.098 1.00 0.00 N ATOM 158 CA GLY A 231 14.314 -8.009 4.596 1.00 0.00 C ATOM 159 C GLY A 231 14.603 -9.459 4.229 1.00 0.00 C ATOM 160 O GLY A 231 14.392 -10.366 5.033 1.00 0.00 O ATOM 0 H GLY A 231 15.025 -6.265 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 231 14.236 -7.913 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 231 13.352 -7.709 4.179 1.00 0.00 H new ATOM 164 N SER A 232 15.086 -9.674 3.009 1.00 0.00 N ATOM 165 CA SER A 232 15.400 -11.021 2.551 1.00 0.00 C ATOM 166 C SER A 232 16.302 -11.729 3.554 1.00 0.00 C ATOM 167 O SER A 232 16.210 -12.941 3.743 1.00 0.00 O ATOM 168 CB SER A 232 16.094 -10.963 1.189 1.00 0.00 C ATOM 169 OG SER A 232 15.632 -12.037 0.382 1.00 0.00 O ATOM 0 H SER A 232 15.267 -8.939 2.326 1.00 0.00 H new ATOM 0 HA SER A 232 14.468 -11.579 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 232 15.885 -10.011 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 232 17.175 -11.026 1.315 1.00 0.00 H new ATOM 0 HG SER A 232 16.073 -12.002 -0.492 1.00 0.00 H new ATOM 175 N ILE A 233 17.168 -10.957 4.198 1.00 0.00 N ATOM 176 CA ILE A 233 18.085 -11.510 5.185 1.00 0.00 C ATOM 177 C ILE A 233 17.473 -11.439 6.581 1.00 0.00 C ATOM 178 O ILE A 233 17.325 -12.457 7.258 1.00 0.00 O ATOM 179 CB ILE A 233 19.403 -10.735 5.162 1.00 0.00 C ATOM 180 CG1 ILE A 233 20.056 -10.884 3.785 1.00 0.00 C ATOM 181 CG2 ILE A 233 20.343 -11.293 6.233 1.00 0.00 C ATOM 182 CD1 ILE A 233 20.617 -9.533 3.337 1.00 0.00 C ATOM 0 H ILE A 233 17.254 -9.951 4.055 1.00 0.00 H new ATOM 0 HA ILE A 233 18.274 -12.554 4.936 1.00 0.00 H new ATOM 0 HB ILE A 233 19.209 -9.681 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 233 20.854 -11.625 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 233 19.325 -11.244 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 233 21.282 -10.740 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 233 19.879 -11.190 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 233 20.538 -12.346 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 233 21.082 -9.639 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 233 19.808 -8.805 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 233 21.361 -9.191 4.056 1.00 0.00 H new ATOM 194 N ILE A 234 17.119 -10.230 7.005 1.00 0.00 N ATOM 195 CA ILE A 234 16.522 -10.036 8.322 1.00 0.00 C ATOM 196 C ILE A 234 15.257 -10.875 8.464 1.00 0.00 C ATOM 197 O ILE A 234 15.124 -11.660 9.404 1.00 0.00 O ATOM 198 CB ILE A 234 16.180 -8.558 8.529 1.00 0.00 C ATOM 199 CG1 ILE A 234 17.337 -7.688 8.030 1.00 0.00 C ATOM 200 CG2 ILE A 234 15.948 -8.291 10.017 1.00 0.00 C ATOM 201 CD1 ILE A 234 18.658 -8.204 8.609 1.00 0.00 C ATOM 0 H ILE A 234 17.234 -9.375 6.460 1.00 0.00 H new ATOM 0 HA ILE A 234 17.243 -10.352 9.077 1.00 0.00 H new ATOM 0 HB ILE A 234 15.276 -8.315 7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 234 17.375 -7.706 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 234 17.179 -6.651 8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 234 15.705 -7.239 10.164 1.00 0.00 H new ATOM 0 HG22 ILE A 234 15.123 -8.908 10.373 1.00 0.00 H new ATOM 0 HG23 ILE A 234 16.851 -8.536 10.576 1.00 0.00 H new ATOM 0 HD11 ILE A 234 19.479 -7.583 8.252 1.00 0.00 H new ATOM 0 HD12 ILE A 234 18.619 -8.163 9.698 1.00 0.00 H new ATOM 0 HD13 ILE A 234 18.817 -9.234 8.290 1.00 0.00 H new ATOM 213 N SER A 235 14.332 -10.707 7.526 1.00 0.00 N ATOM 214 CA SER A 235 13.081 -11.454 7.558 1.00 0.00 C ATOM 215 C SER A 235 13.351 -12.954 7.498 1.00 0.00 C ATOM 216 O SER A 235 12.500 -13.765 7.863 1.00 0.00 O ATOM 217 CB SER A 235 12.198 -11.045 6.379 1.00 0.00 C ATOM 218 OG SER A 235 10.832 -11.259 6.718 1.00 0.00 O ATOM 0 H SER A 235 14.424 -10.065 6.739 1.00 0.00 H new ATOM 0 HA SER A 235 12.567 -11.226 8.492 1.00 0.00 H new ATOM 0 HB2 SER A 235 12.363 -9.996 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 235 12.460 -11.626 5.495 1.00 0.00 H new ATOM 0 HG SER A 235 10.263 -10.996 5.965 1.00 0.00 H new ATOM 224 N ALA A 236 14.544 -13.316 7.036 1.00 0.00 N ATOM 225 CA ALA A 236 14.920 -14.720 6.933 1.00 0.00 C ATOM 226 C ALA A 236 15.595 -15.188 8.217 1.00 0.00 C ATOM 227 O ALA A 236 15.471 -16.349 8.609 1.00 0.00 O ATOM 228 CB ALA A 236 15.870 -14.922 5.751 1.00 0.00 C ATOM 0 H ALA A 236 15.262 -12.660 6.729 1.00 0.00 H new ATOM 0 HA ALA A 236 14.016 -15.308 6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 236 16.146 -15.974 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 236 15.375 -14.615 4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 236 16.767 -14.321 5.898 1.00 0.00 H new ATOM 234 N VAL A 237 16.309 -14.277 8.869 1.00 0.00 N ATOM 235 CA VAL A 237 17.001 -14.605 10.110 1.00 0.00 C ATOM 236 C VAL A 237 16.110 -15.463 11.006 1.00 0.00 C ATOM 237 O VAL A 237 14.906 -15.568 10.776 1.00 0.00 O ATOM 238 CB VAL A 237 17.403 -13.314 10.834 1.00 0.00 C ATOM 239 CG1 VAL A 237 16.309 -12.898 11.821 1.00 0.00 C ATOM 240 CG2 VAL A 237 18.714 -13.543 11.590 1.00 0.00 C ATOM 0 H VAL A 237 16.424 -13.311 8.561 1.00 0.00 H new ATOM 0 HA VAL A 237 17.900 -15.175 9.875 1.00 0.00 H new ATOM 0 HB VAL A 237 17.535 -12.520 10.099 1.00 0.00 H new ATOM 0 HG11 VAL A 237 16.607 -11.980 12.328 1.00 0.00 H new ATOM 0 HG12 VAL A 237 15.377 -12.729 11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 237 16.163 -13.689 12.557 1.00 0.00 H new ATOM 0 HG21 VAL A 237 19.002 -12.627 12.105 1.00 0.00 H new ATOM 0 HG22 VAL A 237 18.579 -14.342 12.319 1.00 0.00 H new ATOM 0 HG23 VAL A 237 19.496 -13.824 10.885 1.00 0.00 H new ATOM 250 N ASP A 238 16.706 -16.081 12.022 1.00 0.00 N ATOM 251 CA ASP A 238 15.948 -16.933 12.933 1.00 0.00 C ATOM 252 C ASP A 238 15.372 -16.111 14.095 1.00 0.00 C ATOM 253 O ASP A 238 15.961 -15.106 14.495 1.00 0.00 O ATOM 254 CB ASP A 238 16.856 -18.030 13.490 1.00 0.00 C ATOM 255 CG ASP A 238 16.882 -19.221 12.540 1.00 0.00 C ATOM 256 OD1 ASP A 238 16.538 -19.039 11.384 1.00 0.00 O1- ATOM 257 OD2 ASP A 238 17.243 -20.299 12.982 1.00 0.00 O ATOM 0 H ASP A 238 17.701 -16.009 12.234 1.00 0.00 H new ATOM 0 HA ASP A 238 15.124 -17.381 12.378 1.00 0.00 H new ATOM 0 HB2 ASP A 238 17.865 -17.642 13.627 1.00 0.00 H new ATOM 0 HB3 ASP A 238 16.499 -18.345 14.471 1.00 0.00 H new ATOM 262 N PRO A 239 14.248 -16.515 14.651 1.00 0.00 N ATOM 263 CA PRO A 239 13.616 -15.793 15.793 1.00 0.00 C ATOM 264 C PRO A 239 14.635 -15.326 16.829 1.00 0.00 C ATOM 265 O PRO A 239 14.644 -14.163 17.230 1.00 0.00 O ATOM 266 CB PRO A 239 12.681 -16.835 16.399 1.00 0.00 C ATOM 267 CG PRO A 239 12.299 -17.729 15.269 1.00 0.00 C ATOM 268 CD PRO A 239 13.450 -17.696 14.260 1.00 0.00 C ATOM 0 HA PRO A 239 13.111 -14.884 15.465 1.00 0.00 H new ATOM 0 HB2 PRO A 239 13.177 -17.394 17.192 1.00 0.00 H new ATOM 0 HB3 PRO A 239 11.803 -16.365 16.842 1.00 0.00 H new ATOM 0 HG2 PRO A 239 12.126 -18.745 15.623 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.372 -17.391 14.807 1.00 0.00 H new ATOM 0 HD2 PRO A 239 14.044 -18.609 14.304 1.00 0.00 H new ATOM 0 HD3 PRO A 239 13.081 -17.605 13.239 1.00 0.00 H new ATOM 276 N VAL A 240 15.486 -16.249 17.263 1.00 0.00 N ATOM 277 CA VAL A 240 16.503 -15.936 18.261 1.00 0.00 C ATOM 278 C VAL A 240 17.140 -14.583 17.973 1.00 0.00 C ATOM 279 O VAL A 240 17.547 -13.867 18.888 1.00 0.00 O ATOM 280 CB VAL A 240 17.581 -17.018 18.260 1.00 0.00 C ATOM 281 CG1 VAL A 240 18.866 -16.463 18.879 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.100 -18.217 19.077 1.00 0.00 C ATOM 0 H VAL A 240 15.492 -17.217 16.941 1.00 0.00 H new ATOM 0 HA VAL A 240 16.025 -15.897 19.240 1.00 0.00 H new ATOM 0 HB VAL A 240 17.778 -17.331 17.235 1.00 0.00 H new ATOM 0 HG11 VAL A 240 19.634 -17.236 18.878 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.211 -15.608 18.297 1.00 0.00 H new ATOM 0 HG13 VAL A 240 18.670 -16.149 19.904 1.00 0.00 H new ATOM 0 HG21 VAL A 240 17.869 -18.990 19.077 1.00 0.00 H new ATOM 0 HG22 VAL A 240 16.902 -17.903 20.102 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.186 -18.615 18.636 1.00 0.00 H new ATOM 292 N ALA A 241 17.224 -14.241 16.694 1.00 0.00 N ATOM 293 CA ALA A 241 17.816 -12.971 16.293 1.00 0.00 C ATOM 294 C ALA A 241 16.776 -11.858 16.351 1.00 0.00 C ATOM 295 O ALA A 241 17.100 -10.703 16.625 1.00 0.00 O ATOM 296 CB ALA A 241 18.368 -13.083 14.873 1.00 0.00 C ATOM 0 H ALA A 241 16.893 -14.820 15.922 1.00 0.00 H new ATOM 0 HA ALA A 241 18.627 -12.732 16.981 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.809 -12.131 14.578 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.130 -13.862 14.839 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.559 -13.336 14.187 1.00 0.00 H new ATOM 302 N VAL A 242 15.524 -12.218 16.092 1.00 0.00 N ATOM 303 CA VAL A 242 14.439 -11.245 16.119 1.00 0.00 C ATOM 304 C VAL A 242 13.929 -11.056 17.543 1.00 0.00 C ATOM 305 O VAL A 242 13.240 -10.081 17.843 1.00 0.00 O ATOM 306 CB VAL A 242 13.293 -11.718 15.224 1.00 0.00 C ATOM 307 CG1 VAL A 242 12.460 -10.515 14.782 1.00 0.00 C ATOM 308 CG2 VAL A 242 13.870 -12.420 13.993 1.00 0.00 C ATOM 0 H VAL A 242 15.237 -13.169 15.863 1.00 0.00 H new ATOM 0 HA VAL A 242 14.818 -10.292 15.750 1.00 0.00 H new ATOM 0 HB VAL A 242 12.660 -12.412 15.777 1.00 0.00 H new ATOM 0 HG11 VAL A 242 11.643 -10.853 14.144 1.00 0.00 H new ATOM 0 HG12 VAL A 242 12.052 -10.013 15.659 1.00 0.00 H new ATOM 0 HG13 VAL A 242 13.090 -9.820 14.227 1.00 0.00 H new ATOM 0 HG21 VAL A 242 13.056 -12.759 13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 242 14.501 -11.725 13.440 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.464 -13.278 14.308 1.00 0.00 H new ATOM 318 N LEU A 243 14.275 -11.995 18.417 1.00 0.00 N ATOM 319 CA LEU A 243 13.849 -11.926 19.809 1.00 0.00 C ATOM 320 C LEU A 243 14.420 -10.685 20.484 1.00 0.00 C ATOM 321 O LEU A 243 13.677 -9.852 21.005 1.00 0.00 O ATOM 322 CB LEU A 243 14.316 -13.177 20.558 1.00 0.00 C ATOM 323 CG LEU A 243 13.575 -13.281 21.891 1.00 0.00 C ATOM 324 CD1 LEU A 243 12.294 -14.096 21.702 1.00 0.00 C ATOM 325 CD2 LEU A 243 14.473 -13.975 22.918 1.00 0.00 C ATOM 0 H LEU A 243 14.846 -12.808 18.188 1.00 0.00 H new ATOM 0 HA LEU A 243 12.761 -11.870 19.835 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.128 -14.066 19.955 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.391 -13.130 20.730 1.00 0.00 H new ATOM 0 HG LEU A 243 13.320 -12.282 22.244 1.00 0.00 H new ATOM 0 HD11 LEU A 243 11.766 -14.170 22.653 1.00 0.00 H new ATOM 0 HD12 LEU A 243 11.655 -13.604 20.969 1.00 0.00 H new ATOM 0 HD13 LEU A 243 12.548 -15.096 21.349 1.00 0.00 H new ATOM 0 HD21 LEU A 243 13.947 -14.050 23.870 1.00 0.00 H new ATOM 0 HD22 LEU A 243 14.727 -14.974 22.563 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.386 -13.395 23.053 1.00 0.00 H new ATOM 337 N ALA A 244 15.743 -10.567 20.472 1.00 0.00 N ATOM 338 CA ALA A 244 16.403 -9.422 21.087 1.00 0.00 C ATOM 339 C ALA A 244 15.651 -8.133 20.771 1.00 0.00 C ATOM 340 O ALA A 244 15.695 -7.173 21.539 1.00 0.00 O ATOM 341 CB ALA A 244 17.842 -9.315 20.579 1.00 0.00 C ATOM 0 H ALA A 244 16.375 -11.245 20.047 1.00 0.00 H new ATOM 0 HA ALA A 244 16.409 -9.568 22.167 1.00 0.00 H new ATOM 0 HB1 ALA A 244 18.329 -8.457 21.043 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.387 -10.224 20.835 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.837 -9.188 19.496 1.00 0.00 H new ATOM 347 N VAL A 245 14.965 -8.125 19.637 1.00 0.00 N ATOM 348 CA VAL A 245 14.200 -6.953 19.225 1.00 0.00 C ATOM 349 C VAL A 245 12.743 -7.092 19.650 1.00 0.00 C ATOM 350 O VAL A 245 12.240 -6.301 20.449 1.00 0.00 O ATOM 351 CB VAL A 245 14.276 -6.786 17.706 1.00 0.00 C ATOM 352 CG1 VAL A 245 14.408 -5.301 17.363 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.494 -7.543 17.170 1.00 0.00 C ATOM 0 H VAL A 245 14.921 -8.911 18.988 1.00 0.00 H new ATOM 0 HA VAL A 245 14.627 -6.074 19.708 1.00 0.00 H new ATOM 0 HB VAL A 245 13.370 -7.186 17.250 1.00 0.00 H new ATOM 0 HG11 VAL A 245 14.462 -5.181 16.281 1.00 0.00 H new ATOM 0 HG12 VAL A 245 13.542 -4.761 17.745 1.00 0.00 H new ATOM 0 HG13 VAL A 245 15.314 -4.902 17.818 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.549 -7.424 16.088 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.400 -7.143 17.625 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.401 -8.601 17.415 1.00 0.00 H new ATOM 363 N PHE A 246 12.070 -8.102 19.111 1.00 0.00 N ATOM 364 CA PHE A 246 10.669 -8.337 19.438 1.00 0.00 C ATOM 365 C PHE A 246 10.455 -8.318 20.949 1.00 0.00 C ATOM 366 O PHE A 246 9.320 -8.272 21.424 1.00 0.00 O ATOM 367 CB PHE A 246 10.227 -9.689 18.876 1.00 0.00 C ATOM 368 CG PHE A 246 9.061 -10.211 19.679 1.00 0.00 C ATOM 369 CD1 PHE A 246 9.289 -10.997 20.815 1.00 0.00 C ATOM 370 CD2 PHE A 246 7.750 -9.914 19.288 1.00 0.00 C ATOM 371 CE1 PHE A 246 8.209 -11.482 21.560 1.00 0.00 C ATOM 372 CE2 PHE A 246 6.668 -10.399 20.033 1.00 0.00 C ATOM 373 CZ PHE A 246 6.898 -11.184 21.170 1.00 0.00 C ATOM 0 H PHE A 246 12.469 -8.768 18.449 1.00 0.00 H new ATOM 0 HA PHE A 246 10.073 -7.541 18.992 1.00 0.00 H new ATOM 0 HB2 PHE A 246 9.943 -9.584 17.829 1.00 0.00 H new ATOM 0 HB3 PHE A 246 11.054 -10.398 18.913 1.00 0.00 H new ATOM 0 HD1 PHE A 246 10.300 -11.229 21.116 1.00 0.00 H new ATOM 0 HD2 PHE A 246 7.573 -9.310 18.410 1.00 0.00 H new ATOM 0 HE1 PHE A 246 8.387 -12.087 22.437 1.00 0.00 H new ATOM 0 HE2 PHE A 246 5.657 -10.168 19.731 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.065 -11.559 21.745 1.00 0.00 H new ATOM 383 N GLU A 247 11.550 -8.356 21.701 1.00 0.00 N ATOM 384 CA GLU A 247 11.465 -8.345 23.158 1.00 0.00 C ATOM 385 C GLU A 247 11.188 -6.936 23.673 1.00 0.00 C ATOM 386 O GLU A 247 10.565 -6.761 24.720 1.00 0.00 O ATOM 387 CB GLU A 247 12.771 -8.871 23.762 1.00 0.00 C ATOM 388 CG GLU A 247 13.885 -7.842 23.557 1.00 0.00 C ATOM 389 CD GLU A 247 14.008 -6.946 24.786 1.00 0.00 C ATOM 390 OE1 GLU A 247 13.043 -6.845 25.524 1.00 0.00 O ATOM 391 OE2 GLU A 247 15.070 -6.371 24.970 1.00 0.00 O1- ATOM 0 H GLU A 247 12.499 -8.394 21.330 1.00 0.00 H new ATOM 0 HA GLU A 247 10.641 -8.992 23.459 1.00 0.00 H new ATOM 0 HB2 GLU A 247 12.637 -9.069 24.825 1.00 0.00 H new ATOM 0 HB3 GLU A 247 13.045 -9.816 23.293 1.00 0.00 H new ATOM 0 HG2 GLU A 247 14.831 -8.351 23.373 1.00 0.00 H new ATOM 0 HG3 GLU A 247 13.673 -7.236 22.676 1.00 0.00 H new ATOM 398 N GLU A 248 11.659 -5.934 22.937 1.00 0.00 N ATOM 399 CA GLU A 248 11.457 -4.545 23.336 1.00 0.00 C ATOM 400 C GLU A 248 10.191 -3.980 22.699 1.00 0.00 C ATOM 401 O GLU A 248 9.710 -2.915 23.091 1.00 0.00 O ATOM 402 CB GLU A 248 12.665 -3.701 22.925 1.00 0.00 C ATOM 403 CG GLU A 248 12.491 -3.211 21.484 1.00 0.00 C ATOM 404 CD GLU A 248 13.841 -2.808 20.903 1.00 0.00 C ATOM 405 OE1 GLU A 248 14.691 -3.673 20.774 1.00 0.00 O1- ATOM 406 OE2 GLU A 248 14.005 -1.638 20.595 1.00 0.00 O ATOM 0 H GLU A 248 12.179 -6.056 22.068 1.00 0.00 H new ATOM 0 HA GLU A 248 11.346 -4.511 24.420 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.771 -2.850 23.598 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.578 -4.291 23.010 1.00 0.00 H new ATOM 0 HG2 GLU A 248 12.044 -3.997 20.875 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.808 -2.362 21.460 1.00 0.00 H new ATOM 413 N ILE A 249 9.655 -4.696 21.717 1.00 0.00 N ATOM 414 CA ILE A 249 8.446 -4.253 21.034 1.00 0.00 C ATOM 415 C ILE A 249 7.208 -4.603 21.855 1.00 0.00 C ATOM 416 O ILE A 249 6.536 -3.719 22.388 1.00 0.00 O ATOM 417 CB ILE A 249 8.350 -4.916 19.659 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.401 -4.306 18.728 1.00 0.00 C ATOM 419 CG2 ILE A 249 6.956 -4.681 19.075 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.547 -5.182 17.482 1.00 0.00 C ATOM 0 H ILE A 249 10.036 -5.580 21.378 1.00 0.00 H new ATOM 0 HA ILE A 249 8.496 -3.171 20.914 1.00 0.00 H new ATOM 0 HB ILE A 249 8.526 -5.987 19.758 1.00 0.00 H new ATOM 0 HG12 ILE A 249 9.108 -3.296 18.443 1.00 0.00 H new ATOM 0 HG13 ILE A 249 10.358 -4.227 19.244 1.00 0.00 H new ATOM 0 HG21 ILE A 249 6.888 -5.153 18.095 1.00 0.00 H new ATOM 0 HG22 ILE A 249 6.206 -5.112 19.739 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.779 -3.610 18.975 1.00 0.00 H new ATOM 0 HD11 ILE A 249 10.295 -4.749 16.818 1.00 0.00 H new ATOM 0 HD12 ILE A 249 9.860 -6.184 17.776 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.590 -5.238 16.963 1.00 0.00 H new ATOM 432 N HIS A 250 6.912 -5.894 21.950 1.00 0.00 N ATOM 433 CA HIS A 250 5.751 -6.350 22.707 1.00 0.00 C ATOM 434 C HIS A 250 5.788 -5.794 24.128 1.00 0.00 C ATOM 435 O HIS A 250 4.783 -5.814 24.838 1.00 0.00 O ATOM 436 CB HIS A 250 5.723 -7.877 22.754 1.00 0.00 C ATOM 437 CG HIS A 250 6.515 -8.358 23.939 1.00 0.00 C ATOM 438 ND1 HIS A 250 5.938 -9.092 24.964 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.839 -8.221 24.276 1.00 0.00 C ATOM 440 CE1 HIS A 250 6.903 -9.366 25.860 1.00 0.00 C ATOM 441 NE2 HIS A 250 8.081 -8.859 25.489 1.00 0.00 N ATOM 0 H HIS A 250 7.456 -6.640 21.516 1.00 0.00 H new ATOM 0 HA HIS A 250 4.851 -5.988 22.210 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.694 -8.230 22.823 1.00 0.00 H new ATOM 0 HB3 HIS A 250 6.140 -8.287 21.834 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.580 -7.698 23.689 1.00 0.00 H new ATOM 0 HE1 HIS A 250 6.744 -9.928 26.769 1.00 0.00 H new ATOM 0 HE2 HIS A 250 8.968 -8.925 25.988 1.00 0.00 H new ATOM 449 N LYS A 251 6.952 -5.299 24.534 1.00 0.00 N ATOM 450 CA LYS A 251 7.107 -4.740 25.873 1.00 0.00 C ATOM 451 C LYS A 251 6.649 -3.287 25.901 1.00 0.00 C ATOM 452 O LYS A 251 6.315 -2.749 26.957 1.00 0.00 O ATOM 453 CB LYS A 251 8.572 -4.827 26.307 1.00 0.00 C ATOM 454 CG LYS A 251 8.690 -4.471 27.791 1.00 0.00 C ATOM 455 CD LYS A 251 10.156 -4.555 28.223 1.00 0.00 C ATOM 456 CE LYS A 251 10.836 -3.203 27.994 1.00 0.00 C ATOM 457 NZ LYS A 251 10.161 -2.162 28.819 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.796 -5.273 23.961 1.00 0.00 H new ATOM 0 HA LYS A 251 6.490 -5.316 26.563 1.00 0.00 H new ATOM 0 HB2 LYS A 251 8.954 -5.833 26.132 1.00 0.00 H new ATOM 0 HB3 LYS A 251 9.180 -4.147 25.710 1.00 0.00 H new ATOM 0 HG2 LYS A 251 8.306 -3.466 27.966 1.00 0.00 H new ATOM 0 HG3 LYS A 251 8.084 -5.153 28.388 1.00 0.00 H new ATOM 0 HD2 LYS A 251 10.220 -4.832 29.275 1.00 0.00 H new ATOM 0 HD3 LYS A 251 10.669 -5.332 27.656 1.00 0.00 H new ATOM 0 HE2 LYS A 251 11.891 -3.265 28.260 1.00 0.00 H new ATOM 0 HE3 LYS A 251 10.788 -2.934 26.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 10.859 -1.453 29.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 9.420 -1.699 28.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 9.733 -2.606 29.656 1.00 0.00 H new ATOM 471 N LYS A 252 6.636 -2.657 24.732 1.00 0.00 N ATOM 472 CA LYS A 252 6.216 -1.265 24.629 1.00 0.00 C ATOM 473 C LYS A 252 4.744 -1.176 24.239 1.00 0.00 C ATOM 474 O LYS A 252 4.043 -0.244 24.631 1.00 0.00 O ATOM 475 CB LYS A 252 7.066 -0.538 23.585 1.00 0.00 C ATOM 476 CG LYS A 252 7.983 0.468 24.283 1.00 0.00 C ATOM 477 CD LYS A 252 8.901 -0.269 25.261 1.00 0.00 C ATOM 478 CE LYS A 252 10.340 0.212 25.068 1.00 0.00 C ATOM 479 NZ LYS A 252 10.392 1.695 25.204 1.00 0.00 N1+ ATOM 0 H LYS A 252 6.910 -3.085 23.847 1.00 0.00 H new ATOM 0 HA LYS A 252 6.352 -0.792 25.602 1.00 0.00 H new ATOM 0 HB2 LYS A 252 7.660 -1.256 23.020 1.00 0.00 H new ATOM 0 HB3 LYS A 252 6.423 -0.025 22.870 1.00 0.00 H new ATOM 0 HG2 LYS A 252 8.578 1.006 23.545 1.00 0.00 H new ATOM 0 HG3 LYS A 252 7.388 1.210 24.815 1.00 0.00 H new ATOM 0 HD2 LYS A 252 8.579 -0.087 26.286 1.00 0.00 H new ATOM 0 HD3 LYS A 252 8.840 -1.344 25.094 1.00 0.00 H new ATOM 0 HE2 LYS A 252 10.992 -0.254 25.806 1.00 0.00 H new ATOM 0 HE3 LYS A 252 10.706 -0.087 24.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 11.321 1.977 25.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 10.244 2.134 24.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 9.647 2.010 25.858 1.00 0.00 H new ATOM 493 N LYS A 253 4.284 -2.153 23.463 1.00 0.00 N ATOM 494 CA LYS A 253 2.892 -2.175 23.026 1.00 0.00 C ATOM 495 C LYS A 253 1.952 -2.082 24.223 1.00 0.00 C ATOM 496 O LYS A 253 0.924 -1.406 24.161 1.00 0.00 O ATOM 497 CB LYS A 253 2.608 -3.465 22.252 1.00 0.00 C ATOM 498 CG LYS A 253 3.364 -3.439 20.922 1.00 0.00 C ATOM 499 CD LYS A 253 2.372 -3.226 19.776 1.00 0.00 C ATOM 500 CE LYS A 253 3.137 -3.097 18.458 1.00 0.00 C ATOM 501 NZ LYS A 253 2.195 -3.291 17.317 1.00 0.00 N1+ ATOM 0 H LYS A 253 4.849 -2.933 23.126 1.00 0.00 H new ATOM 0 HA LYS A 253 2.722 -1.316 22.377 1.00 0.00 H new ATOM 0 HB2 LYS A 253 2.915 -4.330 22.840 1.00 0.00 H new ATOM 0 HB3 LYS A 253 1.538 -3.566 22.072 1.00 0.00 H new ATOM 0 HG2 LYS A 253 4.106 -2.640 20.928 1.00 0.00 H new ATOM 0 HG3 LYS A 253 3.905 -4.375 20.780 1.00 0.00 H new ATOM 0 HD2 LYS A 253 1.675 -4.062 19.724 1.00 0.00 H new ATOM 0 HD3 LYS A 253 1.780 -2.328 19.955 1.00 0.00 H new ATOM 0 HE2 LYS A 253 3.608 -2.116 18.393 1.00 0.00 H new ATOM 0 HE3 LYS A 253 3.936 -3.837 18.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 2.714 -3.204 16.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 1.766 -4.236 17.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 1.448 -2.568 17.357 1.00 0.00 H new HETATM 515 N NH2 A 254 2.245 -2.725 25.321 1.00 0.00 N TER 518 NH2 A 254