USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 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+ 163:sc= -0.0452 (180deg=-0.508) USER MOD Single : A 224 LYS NZ :NH3+ 140:sc= -0.495 (180deg=-1.43) USER MOD Single : A 225 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 227 ASN : amide:sc= -2.99 K(o=-3,f=-0.46) USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 SER OG : rot -99:sc= 0.923 USER MOD Single : A 250 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.25) 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+ 167:sc= 0 (180deg=-0.231) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 11.593 5.465 -1.773 1.00 0.00 C HETATM 2 O ACE A 222 11.588 4.353 -2.297 1.00 0.00 O HETATM 3 CH3 ACE A 222 10.780 6.612 -2.364 1.00 0.00 C HETATM 0 H1 ACE A 222 10.056 6.962 -1.628 1.00 0.00 H new HETATM 0 H2 ACE A 222 11.448 7.430 -2.634 1.00 0.00 H new HETATM 0 H3 ACE A 222 10.254 6.265 -3.253 1.00 0.00 H new ATOM 7 N LYS A 223 12.292 5.747 -0.677 1.00 0.00 N ATOM 8 CA LYS A 223 13.107 4.729 -0.022 1.00 0.00 C ATOM 9 C LYS A 223 12.360 4.124 1.162 1.00 0.00 C ATOM 10 O LYS A 223 12.907 4.003 2.258 1.00 0.00 O ATOM 11 CB LYS A 223 14.421 5.344 0.462 1.00 0.00 C ATOM 12 CG LYS A 223 15.126 6.031 -0.710 1.00 0.00 C ATOM 13 CD LYS A 223 16.440 6.647 -0.225 1.00 0.00 C ATOM 14 CE LYS A 223 17.221 7.191 -1.424 1.00 0.00 C ATOM 15 NZ LYS A 223 16.385 8.189 -2.149 1.00 0.00 N1+ ATOM 0 H LYS A 223 12.311 6.662 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 223 13.319 3.941 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 223 14.227 6.065 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 223 15.063 4.571 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 223 15.321 5.310 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 223 14.484 6.804 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 223 16.238 7.449 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 223 17.033 5.898 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 223 18.149 7.654 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 223 17.495 6.376 -2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 16.990 8.762 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 15.671 7.694 -2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 15.910 8.808 -1.462 1.00 0.00 H new ATOM 29 N LYS A 224 11.106 3.743 0.933 1.00 0.00 N ATOM 30 CA LYS A 224 10.293 3.151 1.989 1.00 0.00 C ATOM 31 C LYS A 224 10.251 1.633 1.845 1.00 0.00 C ATOM 32 O LYS A 224 11.160 1.030 1.275 1.00 0.00 O ATOM 33 CB LYS A 224 8.871 3.712 1.930 1.00 0.00 C ATOM 34 CG LYS A 224 8.917 5.177 1.491 1.00 0.00 C ATOM 35 CD LYS A 224 7.640 5.887 1.948 1.00 0.00 C ATOM 36 CE LYS A 224 7.687 7.353 1.516 1.00 0.00 C ATOM 37 NZ LYS A 224 7.983 7.432 0.057 1.00 0.00 N1+ ATOM 0 H LYS A 224 10.635 3.833 0.033 1.00 0.00 H new ATOM 0 HA LYS A 224 10.741 3.401 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 224 8.268 3.131 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 224 8.395 3.629 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 224 9.792 5.668 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 224 9.013 5.240 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 224 6.766 5.398 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 224 7.542 5.819 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 224 6.735 7.837 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 224 8.451 7.886 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 7.407 8.183 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 8.991 7.647 -0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 7.758 6.522 -0.393 1.00 0.00 H new ATOM 51 N LYS A 225 9.190 1.024 2.362 1.00 0.00 N ATOM 52 CA LYS A 225 9.040 -0.424 2.285 1.00 0.00 C ATOM 53 C LYS A 225 9.084 -0.891 0.833 1.00 0.00 C ATOM 54 O LYS A 225 10.137 -1.277 0.327 1.00 0.00 O ATOM 55 CB LYS A 225 7.714 -0.846 2.918 1.00 0.00 C ATOM 56 CG LYS A 225 7.847 -0.831 4.442 1.00 0.00 C ATOM 57 CD LYS A 225 8.152 -2.245 4.943 1.00 0.00 C ATOM 58 CE LYS A 225 8.439 -2.204 6.445 1.00 0.00 C ATOM 59 NZ LYS A 225 8.503 -3.596 6.976 1.00 0.00 N1+ ATOM 0 H LYS A 225 8.426 1.506 2.836 1.00 0.00 H new ATOM 0 HA LYS A 225 9.865 -0.885 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 225 6.918 -0.170 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 225 7.437 -1.843 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 225 8.642 -0.148 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 225 6.925 -0.465 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 225 7.307 -2.904 4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 225 9.010 -2.654 4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 225 9.381 -1.688 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 225 7.660 -1.642 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 8.698 -3.569 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 7.594 -4.073 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 9.262 -4.118 6.492 1.00 0.00 H new ATOM 73 N ASP A 226 7.935 -0.850 0.168 1.00 0.00 N ATOM 74 CA ASP A 226 7.854 -1.271 -1.225 1.00 0.00 C ATOM 75 C ASP A 226 8.296 -2.724 -1.373 1.00 0.00 C ATOM 76 O ASP A 226 9.461 -3.001 -1.658 1.00 0.00 O ATOM 77 CB ASP A 226 8.738 -0.374 -2.093 1.00 0.00 C ATOM 78 CG ASP A 226 8.524 1.089 -1.719 1.00 0.00 C ATOM 79 OD1 ASP A 226 7.548 1.660 -2.178 1.00 0.00 O1- ATOM 80 OD2 ASP A 226 9.339 1.616 -0.982 1.00 0.00 O ATOM 0 H ASP A 226 7.052 -0.532 0.568 1.00 0.00 H new ATOM 0 HA ASP A 226 6.818 -1.185 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 226 9.786 -0.643 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 226 8.502 -0.527 -3.146 1.00 0.00 H new ATOM 85 N ASN A 227 7.360 -3.645 -1.178 1.00 0.00 N ATOM 86 CA ASN A 227 7.664 -5.067 -1.292 1.00 0.00 C ATOM 87 C ASN A 227 8.420 -5.555 -0.060 1.00 0.00 C ATOM 88 O ASN A 227 8.280 -4.993 1.027 1.00 0.00 O ATOM 89 CB ASN A 227 8.506 -5.323 -2.545 1.00 0.00 C ATOM 90 CG ASN A 227 8.114 -6.656 -3.172 1.00 0.00 C ATOM 91 OD1 ASN A 227 8.220 -6.828 -4.386 1.00 0.00 O ATOM 92 ND2 ASN A 227 7.663 -7.617 -2.412 1.00 0.00 N ATOM 0 H ASN A 227 6.390 -3.435 -0.942 1.00 0.00 H new ATOM 0 HA ASN A 227 6.725 -5.615 -1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 227 8.359 -4.516 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 227 9.565 -5.330 -2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 227 7.398 -8.512 -2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 227 7.576 -7.473 -1.406 1.00 0.00 H new ATOM 99 N LEU A 228 9.220 -6.601 -0.237 1.00 0.00 N ATOM 100 CA LEU A 228 9.994 -7.159 0.865 1.00 0.00 C ATOM 101 C LEU A 228 11.425 -7.444 0.421 1.00 0.00 C ATOM 102 O LEU A 228 11.903 -8.574 0.519 1.00 0.00 O ATOM 103 CB LEU A 228 9.345 -8.456 1.356 1.00 0.00 C ATOM 104 CG LEU A 228 7.972 -8.154 1.971 1.00 0.00 C ATOM 105 CD1 LEU A 228 7.271 -9.468 2.315 1.00 0.00 C ATOM 106 CD2 LEU A 228 8.135 -7.316 3.246 1.00 0.00 C ATOM 0 H LEU A 228 9.349 -7.078 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 228 10.013 -6.432 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 228 9.236 -9.155 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 228 9.986 -8.936 2.095 1.00 0.00 H new ATOM 0 HG LEU A 228 7.376 -7.593 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 228 6.295 -9.256 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 228 7.142 -10.060 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 228 7.875 -10.026 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 228 7.154 -7.108 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 228 8.736 -7.867 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 228 8.631 -6.376 3.003 1.00 0.00 H new ATOM 118 N LEU A 229 12.105 -6.411 -0.067 1.00 0.00 N ATOM 119 CA LEU A 229 13.482 -6.565 -0.521 1.00 0.00 C ATOM 120 C LEU A 229 14.387 -6.941 0.645 1.00 0.00 C ATOM 121 O LEU A 229 15.415 -7.592 0.463 1.00 0.00 O ATOM 122 CB LEU A 229 13.982 -5.261 -1.156 1.00 0.00 C ATOM 123 CG LEU A 229 13.384 -4.057 -0.423 1.00 0.00 C ATOM 124 CD1 LEU A 229 14.415 -2.929 -0.372 1.00 0.00 C ATOM 125 CD2 LEU A 229 12.139 -3.569 -1.166 1.00 0.00 C ATOM 0 H LEU A 229 11.729 -5.467 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 229 13.509 -7.361 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 229 15.070 -5.220 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 229 13.704 -5.230 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 229 13.111 -4.351 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 229 13.990 -2.071 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 229 15.304 -3.272 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 229 14.687 -2.638 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 229 11.715 -2.712 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 229 12.412 -3.276 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 229 11.402 -4.371 -1.206 1.00 0.00 H new ATOM 137 N PHE A 230 13.993 -6.529 1.845 1.00 0.00 N ATOM 138 CA PHE A 230 14.773 -6.828 3.040 1.00 0.00 C ATOM 139 C PHE A 230 14.350 -8.169 3.632 1.00 0.00 C ATOM 140 O PHE A 230 15.082 -8.769 4.421 1.00 0.00 O ATOM 141 CB PHE A 230 14.578 -5.723 4.081 1.00 0.00 C ATOM 142 CG PHE A 230 15.851 -4.921 4.212 1.00 0.00 C ATOM 143 CD1 PHE A 230 16.444 -4.362 3.071 1.00 0.00 C ATOM 144 CD2 PHE A 230 16.439 -4.735 5.468 1.00 0.00 C ATOM 145 CE1 PHE A 230 17.624 -3.619 3.190 1.00 0.00 C ATOM 146 CE2 PHE A 230 17.619 -3.991 5.586 1.00 0.00 C ATOM 147 CZ PHE A 230 18.211 -3.432 4.447 1.00 0.00 C ATOM 0 H PHE A 230 13.144 -5.990 2.016 1.00 0.00 H new ATOM 0 HA PHE A 230 15.825 -6.882 2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 230 13.755 -5.072 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 230 14.310 -6.159 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 230 15.991 -4.505 2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 230 15.982 -5.166 6.347 1.00 0.00 H new ATOM 0 HE1 PHE A 230 18.082 -3.190 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 230 18.073 -3.848 6.556 1.00 0.00 H new ATOM 0 HZ PHE A 230 19.120 -2.857 4.538 1.00 0.00 H new ATOM 157 N GLY A 231 13.166 -8.634 3.250 1.00 0.00 N ATOM 158 CA GLY A 231 12.656 -9.904 3.751 1.00 0.00 C ATOM 159 C GLY A 231 13.696 -11.009 3.590 1.00 0.00 C ATOM 160 O GLY A 231 13.746 -11.948 4.384 1.00 0.00 O ATOM 0 H GLY A 231 12.545 -8.154 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 231 12.386 -9.803 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 231 11.747 -10.173 3.213 1.00 0.00 H new ATOM 164 N SER A 232 14.525 -10.889 2.558 1.00 0.00 N ATOM 165 CA SER A 232 15.560 -11.884 2.307 1.00 0.00 C ATOM 166 C SER A 232 16.596 -11.866 3.422 1.00 0.00 C ATOM 167 O SER A 232 17.286 -12.857 3.663 1.00 0.00 O ATOM 168 CB SER A 232 16.244 -11.601 0.968 1.00 0.00 C ATOM 169 OG SER A 232 16.592 -12.832 0.350 1.00 0.00 O ATOM 0 H SER A 232 14.501 -10.120 1.888 1.00 0.00 H new ATOM 0 HA SER A 232 15.093 -12.868 2.274 1.00 0.00 H new ATOM 0 HB2 SER A 232 15.579 -11.031 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 232 17.136 -10.994 1.123 1.00 0.00 H new ATOM 0 HG SER A 232 17.029 -12.655 -0.509 1.00 0.00 H new ATOM 175 N ILE A 233 16.698 -10.731 4.103 1.00 0.00 N ATOM 176 CA ILE A 233 17.651 -10.585 5.195 1.00 0.00 C ATOM 177 C ILE A 233 16.997 -10.943 6.527 1.00 0.00 C ATOM 178 O ILE A 233 17.545 -11.718 7.311 1.00 0.00 O ATOM 179 CB ILE A 233 18.165 -9.146 5.250 1.00 0.00 C ATOM 180 CG1 ILE A 233 18.494 -8.665 3.832 1.00 0.00 C ATOM 181 CG2 ILE A 233 19.424 -9.084 6.116 1.00 0.00 C ATOM 182 CD1 ILE A 233 19.370 -9.702 3.124 1.00 0.00 C ATOM 0 H ILE A 233 16.134 -9.901 3.919 1.00 0.00 H new ATOM 0 HA ILE A 233 18.486 -11.263 5.017 1.00 0.00 H new ATOM 0 HB ILE A 233 17.397 -8.504 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 233 17.574 -8.507 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 233 19.011 -7.706 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 233 19.789 -8.058 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 233 19.189 -9.423 7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 233 20.193 -9.727 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 233 19.601 -9.356 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 233 20.296 -9.838 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 233 18.837 -10.651 3.068 1.00 0.00 H new ATOM 194 N ILE A 234 15.824 -10.371 6.774 1.00 0.00 N ATOM 195 CA ILE A 234 15.102 -10.633 8.015 1.00 0.00 C ATOM 196 C ILE A 234 14.423 -11.999 7.964 1.00 0.00 C ATOM 197 O ILE A 234 14.777 -12.909 8.713 1.00 0.00 O ATOM 198 CB ILE A 234 14.051 -9.548 8.248 1.00 0.00 C ATOM 199 CG1 ILE A 234 14.591 -8.203 7.755 1.00 0.00 C ATOM 200 CG2 ILE A 234 13.736 -9.452 9.743 1.00 0.00 C ATOM 201 CD1 ILE A 234 13.839 -7.066 8.447 1.00 0.00 C ATOM 0 H ILE A 234 15.355 -9.727 6.137 1.00 0.00 H new ATOM 0 HA ILE A 234 15.818 -10.627 8.836 1.00 0.00 H new ATOM 0 HB ILE A 234 13.142 -9.800 7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 234 15.658 -8.128 7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 234 14.473 -8.126 6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 234 12.986 -8.678 9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 234 13.353 -10.409 10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 234 14.644 -9.200 10.291 1.00 0.00 H new ATOM 0 HD11 ILE A 234 14.224 -6.109 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 234 12.777 -7.138 8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 234 13.980 -7.140 9.525 1.00 0.00 H new ATOM 213 N SER A 235 13.444 -12.134 7.073 1.00 0.00 N ATOM 214 CA SER A 235 12.721 -13.393 6.934 1.00 0.00 C ATOM 215 C SER A 235 13.695 -14.565 6.878 1.00 0.00 C ATOM 216 O SER A 235 13.303 -15.720 7.049 1.00 0.00 O ATOM 217 CB SER A 235 11.874 -13.370 5.662 1.00 0.00 C ATOM 218 OG SER A 235 12.589 -14.004 4.609 1.00 0.00 O ATOM 0 H SER A 235 13.136 -11.394 6.442 1.00 0.00 H new ATOM 0 HA SER A 235 12.071 -13.516 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 235 10.927 -13.881 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 235 11.636 -12.342 5.388 1.00 0.00 H new ATOM 0 HG SER A 235 13.018 -13.324 4.049 1.00 0.00 H new ATOM 224 N ALA A 236 14.967 -14.262 6.640 1.00 0.00 N ATOM 225 CA ALA A 236 15.990 -15.300 6.566 1.00 0.00 C ATOM 226 C ALA A 236 16.586 -15.561 7.944 1.00 0.00 C ATOM 227 O ALA A 236 16.918 -16.698 8.281 1.00 0.00 O ATOM 228 CB ALA A 236 17.096 -14.873 5.600 1.00 0.00 C ATOM 0 H ALA A 236 15.313 -13.313 6.496 1.00 0.00 H new ATOM 0 HA ALA A 236 15.527 -16.218 6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 236 17.856 -15.653 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 236 16.672 -14.715 4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 236 17.549 -13.946 5.952 1.00 0.00 H new ATOM 234 N VAL A 237 16.725 -14.502 8.734 1.00 0.00 N ATOM 235 CA VAL A 237 17.285 -14.629 10.073 1.00 0.00 C ATOM 236 C VAL A 237 16.428 -15.565 10.923 1.00 0.00 C ATOM 237 O VAL A 237 15.309 -15.906 10.543 1.00 0.00 O ATOM 238 CB VAL A 237 17.382 -13.245 10.726 1.00 0.00 C ATOM 239 CG1 VAL A 237 16.127 -12.957 11.553 1.00 0.00 C ATOM 240 CG2 VAL A 237 18.615 -13.196 11.631 1.00 0.00 C ATOM 0 H VAL A 237 16.459 -13.553 8.472 1.00 0.00 H new ATOM 0 HA VAL A 237 18.285 -15.056 10.001 1.00 0.00 H new ATOM 0 HB VAL A 237 17.468 -12.490 9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 237 16.211 -11.971 12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 237 15.251 -12.983 10.905 1.00 0.00 H new ATOM 0 HG13 VAL A 237 16.024 -13.711 12.333 1.00 0.00 H new ATOM 0 HG21 VAL A 237 18.686 -12.213 12.096 1.00 0.00 H new ATOM 0 HG22 VAL A 237 18.529 -13.958 12.405 1.00 0.00 H new ATOM 0 HG23 VAL A 237 19.510 -13.382 11.037 1.00 0.00 H new ATOM 250 N ASP A 238 16.961 -15.983 12.069 1.00 0.00 N ATOM 251 CA ASP A 238 16.229 -16.888 12.951 1.00 0.00 C ATOM 252 C ASP A 238 15.577 -16.122 14.107 1.00 0.00 C ATOM 253 O ASP A 238 16.075 -15.071 14.514 1.00 0.00 O ATOM 254 CB ASP A 238 17.184 -17.942 13.516 1.00 0.00 C ATOM 255 CG ASP A 238 17.127 -19.207 12.666 1.00 0.00 C ATOM 256 OD1 ASP A 238 16.880 -19.090 11.477 1.00 0.00 O1- ATOM 257 OD2 ASP A 238 17.333 -20.275 13.218 1.00 0.00 O ATOM 0 H ASP A 238 17.885 -15.714 12.405 1.00 0.00 H new ATOM 0 HA ASP A 238 15.445 -17.371 12.368 1.00 0.00 H new ATOM 0 HB2 ASP A 238 18.201 -17.551 13.533 1.00 0.00 H new ATOM 0 HB3 ASP A 238 16.914 -18.174 14.546 1.00 0.00 H new ATOM 262 N PRO A 239 14.487 -16.622 14.652 1.00 0.00 N ATOM 263 CA PRO A 239 13.783 -15.961 15.789 1.00 0.00 C ATOM 264 C PRO A 239 14.748 -15.411 16.837 1.00 0.00 C ATOM 265 O PRO A 239 14.673 -14.242 17.214 1.00 0.00 O ATOM 266 CB PRO A 239 12.936 -17.083 16.383 1.00 0.00 C ATOM 267 CG PRO A 239 12.645 -18.001 15.246 1.00 0.00 C ATOM 268 CD PRO A 239 13.799 -17.864 14.249 1.00 0.00 C ATOM 0 HA PRO A 239 13.204 -15.098 15.459 1.00 0.00 H new ATOM 0 HB2 PRO A 239 13.471 -17.600 17.179 1.00 0.00 H new ATOM 0 HB3 PRO A 239 12.016 -16.693 16.819 1.00 0.00 H new ATOM 0 HG2 PRO A 239 12.557 -19.030 15.595 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.697 -17.742 14.775 1.00 0.00 H new ATOM 0 HD2 PRO A 239 14.469 -18.723 14.296 1.00 0.00 H new ATOM 0 HD3 PRO A 239 13.433 -17.801 13.224 1.00 0.00 H new ATOM 276 N VAL A 240 15.644 -16.269 17.309 1.00 0.00 N ATOM 277 CA VAL A 240 16.616 -15.872 18.321 1.00 0.00 C ATOM 278 C VAL A 240 17.189 -14.496 18.004 1.00 0.00 C ATOM 279 O VAL A 240 17.541 -13.735 18.905 1.00 0.00 O ATOM 280 CB VAL A 240 17.750 -16.895 18.385 1.00 0.00 C ATOM 281 CG1 VAL A 240 18.970 -16.263 19.055 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.295 -18.109 19.197 1.00 0.00 C ATOM 0 H VAL A 240 15.718 -17.241 17.009 1.00 0.00 H new ATOM 0 HA VAL A 240 16.110 -15.829 19.285 1.00 0.00 H new ATOM 0 HB VAL A 240 18.013 -17.210 17.375 1.00 0.00 H new ATOM 0 HG11 VAL A 240 19.779 -16.992 19.101 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.294 -15.397 18.478 1.00 0.00 H new ATOM 0 HG13 VAL A 240 18.708 -15.948 20.065 1.00 0.00 H new ATOM 0 HG21 VAL A 240 18.103 -18.839 19.243 1.00 0.00 H new ATOM 0 HG22 VAL A 240 17.033 -17.794 20.207 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.425 -18.560 18.720 1.00 0.00 H new ATOM 292 N ALA A 241 17.280 -14.186 16.718 1.00 0.00 N ATOM 293 CA ALA A 241 17.811 -12.898 16.289 1.00 0.00 C ATOM 294 C ALA A 241 16.713 -11.841 16.300 1.00 0.00 C ATOM 295 O ALA A 241 16.977 -10.659 16.522 1.00 0.00 O ATOM 296 CB ALA A 241 18.393 -13.019 14.882 1.00 0.00 C ATOM 0 H ALA A 241 16.995 -14.803 15.958 1.00 0.00 H new ATOM 0 HA ALA A 241 18.597 -12.597 16.981 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.788 -12.053 14.567 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.196 -13.757 14.882 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.611 -13.334 14.191 1.00 0.00 H new ATOM 302 N VAL A 242 15.481 -12.276 16.061 1.00 0.00 N ATOM 303 CA VAL A 242 14.346 -11.362 16.048 1.00 0.00 C ATOM 304 C VAL A 242 13.832 -11.132 17.465 1.00 0.00 C ATOM 305 O VAL A 242 13.142 -10.149 17.736 1.00 0.00 O ATOM 306 CB VAL A 242 13.222 -11.937 15.185 1.00 0.00 C ATOM 307 CG1 VAL A 242 12.240 -10.826 14.817 1.00 0.00 C ATOM 308 CG2 VAL A 242 13.819 -12.533 13.907 1.00 0.00 C ATOM 0 H VAL A 242 15.244 -13.250 15.875 1.00 0.00 H new ATOM 0 HA VAL A 242 14.674 -10.410 15.630 1.00 0.00 H new ATOM 0 HB VAL A 242 12.697 -12.714 15.741 1.00 0.00 H new ATOM 0 HG11 VAL A 242 11.439 -11.237 14.202 1.00 0.00 H new ATOM 0 HG12 VAL A 242 11.816 -10.399 15.726 1.00 0.00 H new ATOM 0 HG13 VAL A 242 12.763 -10.048 14.260 1.00 0.00 H new ATOM 0 HG21 VAL A 242 13.020 -12.944 13.290 1.00 0.00 H new ATOM 0 HG22 VAL A 242 14.342 -11.754 13.352 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.520 -13.326 14.168 1.00 0.00 H new ATOM 318 N LEU A 243 14.173 -12.048 18.364 1.00 0.00 N ATOM 319 CA LEU A 243 13.746 -11.943 19.754 1.00 0.00 C ATOM 320 C LEU A 243 14.312 -10.683 20.398 1.00 0.00 C ATOM 321 O LEU A 243 13.566 -9.846 20.907 1.00 0.00 O ATOM 322 CB LEU A 243 14.211 -13.173 20.535 1.00 0.00 C ATOM 323 CG LEU A 243 13.477 -13.237 21.876 1.00 0.00 C ATOM 324 CD1 LEU A 243 12.195 -14.057 21.719 1.00 0.00 C ATOM 325 CD2 LEU A 243 14.380 -13.901 22.918 1.00 0.00 C ATOM 0 H LEU A 243 14.742 -12.869 18.156 1.00 0.00 H new ATOM 0 HA LEU A 243 12.658 -11.887 19.777 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.016 -14.077 19.959 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.287 -13.126 20.700 1.00 0.00 H new ATOM 0 HG LEU A 243 13.225 -12.227 22.200 1.00 0.00 H new ATOM 0 HD11 LEU A 243 11.673 -14.102 22.675 1.00 0.00 H new ATOM 0 HD12 LEU A 243 11.551 -13.587 20.975 1.00 0.00 H new ATOM 0 HD13 LEU A 243 12.446 -15.067 21.395 1.00 0.00 H new ATOM 0 HD21 LEU A 243 13.859 -13.948 23.874 1.00 0.00 H new ATOM 0 HD22 LEU A 243 14.631 -14.910 22.592 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.294 -13.319 23.031 1.00 0.00 H new ATOM 337 N ALA A 244 15.634 -10.557 20.374 1.00 0.00 N ATOM 338 CA ALA A 244 16.293 -9.396 20.961 1.00 0.00 C ATOM 339 C ALA A 244 15.520 -8.122 20.644 1.00 0.00 C ATOM 340 O ALA A 244 15.571 -7.146 21.393 1.00 0.00 O ATOM 341 CB ALA A 244 17.719 -9.278 20.420 1.00 0.00 C ATOM 0 H ALA A 244 16.267 -11.240 19.957 1.00 0.00 H new ATOM 0 HA ALA A 244 16.323 -9.528 22.043 1.00 0.00 H new ATOM 0 HB1 ALA A 244 18.205 -8.409 20.863 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.280 -10.177 20.675 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.689 -9.164 19.336 1.00 0.00 H new ATOM 347 N VAL A 245 14.803 -8.139 19.528 1.00 0.00 N ATOM 348 CA VAL A 245 14.016 -6.983 19.116 1.00 0.00 C ATOM 349 C VAL A 245 12.572 -7.128 19.580 1.00 0.00 C ATOM 350 O VAL A 245 12.093 -6.352 20.404 1.00 0.00 O ATOM 351 CB VAL A 245 14.053 -6.838 17.594 1.00 0.00 C ATOM 352 CG1 VAL A 245 14.202 -5.361 17.225 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.241 -7.623 17.036 1.00 0.00 C ATOM 0 H VAL A 245 14.750 -8.936 18.894 1.00 0.00 H new ATOM 0 HA VAL A 245 14.447 -6.093 19.574 1.00 0.00 H new ATOM 0 HB VAL A 245 13.127 -7.227 17.170 1.00 0.00 H new ATOM 0 HG11 VAL A 245 14.228 -5.258 16.140 1.00 0.00 H new ATOM 0 HG12 VAL A 245 13.356 -4.800 17.622 1.00 0.00 H new ATOM 0 HG13 VAL A 245 15.128 -4.972 17.649 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.268 -7.520 15.951 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.166 -7.233 17.461 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.137 -8.676 17.298 1.00 0.00 H new ATOM 363 N PHE A 246 11.880 -8.125 19.041 1.00 0.00 N ATOM 364 CA PHE A 246 10.489 -8.360 19.403 1.00 0.00 C ATOM 365 C PHE A 246 10.312 -8.344 20.919 1.00 0.00 C ATOM 366 O PHE A 246 9.190 -8.271 21.421 1.00 0.00 O ATOM 367 CB PHE A 246 10.027 -9.711 18.854 1.00 0.00 C ATOM 368 CG PHE A 246 8.905 -10.242 19.713 1.00 0.00 C ATOM 369 CD1 PHE A 246 9.196 -11.001 20.853 1.00 0.00 C ATOM 370 CD2 PHE A 246 7.574 -9.973 19.372 1.00 0.00 C ATOM 371 CE1 PHE A 246 8.155 -11.491 21.652 1.00 0.00 C ATOM 372 CE2 PHE A 246 6.534 -10.463 20.171 1.00 0.00 C ATOM 373 CZ PHE A 246 6.824 -11.222 21.310 1.00 0.00 C ATOM 0 H PHE A 246 12.257 -8.780 18.356 1.00 0.00 H new ATOM 0 HA PHE A 246 9.886 -7.562 18.970 1.00 0.00 H new ATOM 0 HB2 PHE A 246 9.690 -9.602 17.823 1.00 0.00 H new ATOM 0 HB3 PHE A 246 10.858 -10.416 18.845 1.00 0.00 H new ATOM 0 HD1 PHE A 246 10.223 -11.209 21.116 1.00 0.00 H new ATOM 0 HD2 PHE A 246 7.350 -9.388 18.493 1.00 0.00 H new ATOM 0 HE1 PHE A 246 8.379 -12.076 22.532 1.00 0.00 H new ATOM 0 HE2 PHE A 246 5.507 -10.255 19.908 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.021 -11.600 21.925 1.00 0.00 H new ATOM 383 N GLU A 247 11.425 -8.419 21.645 1.00 0.00 N ATOM 384 CA GLU A 247 11.371 -8.416 23.103 1.00 0.00 C ATOM 385 C GLU A 247 11.056 -7.021 23.633 1.00 0.00 C ATOM 386 O GLU A 247 10.449 -6.876 24.692 1.00 0.00 O ATOM 387 CB GLU A 247 12.706 -8.897 23.678 1.00 0.00 C ATOM 388 CG GLU A 247 13.783 -7.837 23.434 1.00 0.00 C ATOM 389 CD GLU A 247 13.918 -6.931 24.654 1.00 0.00 C ATOM 390 OE1 GLU A 247 12.968 -6.843 25.413 1.00 0.00 O1- ATOM 391 OE2 GLU A 247 14.974 -6.337 24.809 1.00 0.00 O ATOM 0 H GLU A 247 12.364 -8.482 21.253 1.00 0.00 H new ATOM 0 HA GLU A 247 10.576 -9.093 23.416 1.00 0.00 H new ATOM 0 HB2 GLU A 247 12.605 -9.088 24.746 1.00 0.00 H new ATOM 0 HB3 GLU A 247 12.996 -9.839 23.212 1.00 0.00 H new ATOM 0 HG2 GLU A 247 14.737 -8.320 23.223 1.00 0.00 H new ATOM 0 HG3 GLU A 247 13.526 -7.242 22.557 1.00 0.00 H new ATOM 398 N GLU A 248 11.474 -5.997 22.894 1.00 0.00 N ATOM 399 CA GLU A 248 11.229 -4.621 23.312 1.00 0.00 C ATOM 400 C GLU A 248 9.905 -4.109 22.744 1.00 0.00 C ATOM 401 O GLU A 248 9.314 -3.170 23.276 1.00 0.00 O ATOM 402 CB GLU A 248 12.378 -3.717 22.852 1.00 0.00 C ATOM 403 CG GLU A 248 12.166 -3.294 21.395 1.00 0.00 C ATOM 404 CD GLU A 248 11.304 -2.036 21.337 1.00 0.00 C ATOM 405 OE1 GLU A 248 11.698 -1.043 21.925 1.00 0.00 O1- ATOM 406 OE2 GLU A 248 10.263 -2.085 20.702 1.00 0.00 O ATOM 0 H GLU A 248 11.978 -6.092 22.013 1.00 0.00 H new ATOM 0 HA GLU A 248 11.170 -4.600 24.400 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.435 -2.835 23.490 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.327 -4.244 22.951 1.00 0.00 H new ATOM 0 HG2 GLU A 248 13.128 -3.108 20.918 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.686 -4.100 20.840 1.00 0.00 H new ATOM 413 N ILE A 249 9.451 -4.731 21.662 1.00 0.00 N ATOM 414 CA ILE A 249 8.201 -4.326 21.028 1.00 0.00 C ATOM 415 C ILE A 249 7.009 -4.659 21.920 1.00 0.00 C ATOM 416 O ILE A 249 6.401 -3.768 22.513 1.00 0.00 O ATOM 417 CB ILE A 249 8.046 -5.038 19.683 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.006 -4.415 18.667 1.00 0.00 C ATOM 419 CG2 ILE A 249 6.609 -4.885 19.185 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.092 -5.310 17.430 1.00 0.00 C ATOM 0 H ILE A 249 9.925 -5.512 21.208 1.00 0.00 H new ATOM 0 HA ILE A 249 8.230 -3.248 20.871 1.00 0.00 H new ATOM 0 HB ILE A 249 8.276 -6.097 19.803 1.00 0.00 H new ATOM 0 HG12 ILE A 249 8.659 -3.421 18.386 1.00 0.00 H new ATOM 0 HG13 ILE A 249 9.994 -4.295 19.111 1.00 0.00 H new ATOM 0 HG21 ILE A 249 6.500 -5.393 18.227 1.00 0.00 H new ATOM 0 HG22 ILE A 249 5.924 -5.326 19.909 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.377 -3.827 19.063 1.00 0.00 H new ATOM 0 HD11 ILE A 249 9.776 -4.866 16.707 1.00 0.00 H new ATOM 0 HD12 ILE A 249 9.458 -6.295 17.718 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.103 -5.408 16.982 1.00 0.00 H new ATOM 432 N HIS A 250 6.677 -5.942 22.008 1.00 0.00 N ATOM 433 CA HIS A 250 5.553 -6.374 22.832 1.00 0.00 C ATOM 434 C HIS A 250 5.655 -5.778 24.231 1.00 0.00 C ATOM 435 O HIS A 250 4.668 -5.722 24.966 1.00 0.00 O ATOM 436 CB HIS A 250 5.532 -7.901 22.923 1.00 0.00 C ATOM 437 CG HIS A 250 6.409 -8.347 24.061 1.00 0.00 C ATOM 438 ND1 HIS A 250 5.928 -9.125 25.104 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.738 -8.139 24.331 1.00 0.00 C ATOM 440 CE1 HIS A 250 6.954 -9.354 25.944 1.00 0.00 C ATOM 441 NE2 HIS A 250 8.080 -8.774 25.521 1.00 0.00 N ATOM 0 H HIS A 250 7.165 -6.696 21.524 1.00 0.00 H new ATOM 0 HA HIS A 250 4.630 -6.025 22.369 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.512 -8.253 23.076 1.00 0.00 H new ATOM 0 HB3 HIS A 250 5.882 -8.337 21.987 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.416 -7.569 23.713 1.00 0.00 H new ATOM 0 HE1 HIS A 250 6.876 -9.936 26.850 1.00 0.00 H new ATOM 0 HE2 HIS A 250 8.994 -8.792 25.973 1.00 0.00 H new ATOM 449 N LYS A 251 6.853 -5.334 24.591 1.00 0.00 N ATOM 450 CA LYS A 251 7.074 -4.741 25.904 1.00 0.00 C ATOM 451 C LYS A 251 6.766 -3.248 25.863 1.00 0.00 C ATOM 452 O LYS A 251 6.431 -2.642 26.882 1.00 0.00 O ATOM 453 CB LYS A 251 8.528 -4.981 26.334 1.00 0.00 C ATOM 454 CG LYS A 251 9.037 -3.817 27.195 1.00 0.00 C ATOM 455 CD LYS A 251 10.346 -4.217 27.879 1.00 0.00 C ATOM 456 CE LYS A 251 11.395 -3.131 27.638 1.00 0.00 C ATOM 457 NZ LYS A 251 12.633 -3.455 28.402 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.681 -5.373 23.997 1.00 0.00 H new ATOM 0 HA LYS A 251 6.408 -5.207 26.630 1.00 0.00 H new ATOM 0 HB2 LYS A 251 8.598 -5.913 26.895 1.00 0.00 H new ATOM 0 HB3 LYS A 251 9.160 -5.092 25.453 1.00 0.00 H new ATOM 0 HG2 LYS A 251 9.194 -2.935 26.575 1.00 0.00 H new ATOM 0 HG3 LYS A 251 8.290 -3.552 27.943 1.00 0.00 H new ATOM 0 HD2 LYS A 251 10.184 -4.352 28.949 1.00 0.00 H new ATOM 0 HD3 LYS A 251 10.697 -5.171 27.487 1.00 0.00 H new ATOM 0 HE2 LYS A 251 11.620 -3.058 26.574 1.00 0.00 H new ATOM 0 HE3 LYS A 251 11.007 -2.161 27.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 13.346 -2.716 28.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 12.412 -3.503 29.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 13.006 -4.373 28.085 1.00 0.00 H new ATOM 471 N LYS A 252 6.880 -2.665 24.676 1.00 0.00 N ATOM 472 CA LYS A 252 6.609 -1.242 24.505 1.00 0.00 C ATOM 473 C LYS A 252 5.117 -1.001 24.307 1.00 0.00 C ATOM 474 O LYS A 252 4.591 0.043 24.694 1.00 0.00 O ATOM 475 CB LYS A 252 7.379 -0.709 23.294 1.00 0.00 C ATOM 476 CG LYS A 252 8.857 -0.551 23.658 1.00 0.00 C ATOM 477 CD LYS A 252 9.151 0.916 23.983 1.00 0.00 C ATOM 478 CE LYS A 252 10.464 1.013 24.759 1.00 0.00 C ATOM 479 NZ LYS A 252 10.731 2.439 25.106 1.00 0.00 N1+ ATOM 0 H LYS A 252 7.156 -3.151 23.823 1.00 0.00 H new ATOM 0 HA LYS A 252 6.933 -0.717 25.404 1.00 0.00 H new ATOM 0 HB2 LYS A 252 7.272 -1.393 22.452 1.00 0.00 H new ATOM 0 HB3 LYS A 252 6.966 0.250 22.980 1.00 0.00 H new ATOM 0 HG2 LYS A 252 9.100 -1.180 24.514 1.00 0.00 H new ATOM 0 HG3 LYS A 252 9.484 -0.883 22.830 1.00 0.00 H new ATOM 0 HD2 LYS A 252 9.216 1.497 23.063 1.00 0.00 H new ATOM 0 HD3 LYS A 252 8.337 1.340 24.571 1.00 0.00 H new ATOM 0 HE2 LYS A 252 10.408 0.411 25.666 1.00 0.00 H new ATOM 0 HE3 LYS A 252 11.283 0.613 24.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 11.624 2.506 25.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 10.801 3.001 24.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 9.954 2.805 25.692 1.00 0.00 H new ATOM 493 N LYS A 253 4.440 -1.973 23.703 1.00 0.00 N ATOM 494 CA LYS A 253 3.007 -1.854 23.461 1.00 0.00 C ATOM 495 C LYS A 253 2.292 -1.341 24.708 1.00 0.00 C ATOM 496 O LYS A 253 1.777 -0.223 24.717 1.00 0.00 O ATOM 497 CB LYS A 253 2.431 -3.214 23.063 1.00 0.00 C ATOM 498 CG LYS A 253 2.859 -3.553 21.634 1.00 0.00 C ATOM 499 CD LYS A 253 1.801 -3.049 20.650 1.00 0.00 C ATOM 500 CE LYS A 253 2.382 -3.036 19.236 1.00 0.00 C ATOM 501 NZ LYS A 253 2.820 -4.411 18.866 1.00 0.00 N1+ ATOM 0 H LYS A 253 4.856 -2.844 23.375 1.00 0.00 H new ATOM 0 HA LYS A 253 2.853 -1.142 22.650 1.00 0.00 H new ATOM 0 HB2 LYS A 253 2.781 -3.984 23.751 1.00 0.00 H new ATOM 0 HB3 LYS A 253 1.343 -3.194 23.133 1.00 0.00 H new ATOM 0 HG2 LYS A 253 3.823 -3.095 21.414 1.00 0.00 H new ATOM 0 HG3 LYS A 253 2.986 -4.630 21.527 1.00 0.00 H new ATOM 0 HD2 LYS A 253 0.921 -3.691 20.687 1.00 0.00 H new ATOM 0 HD3 LYS A 253 1.477 -2.047 20.930 1.00 0.00 H new ATOM 0 HE2 LYS A 253 1.635 -2.678 18.528 1.00 0.00 H new ATOM 0 HE3 LYS A 253 3.226 -2.348 19.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 3.008 -4.452 17.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 3.687 -4.651 19.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 2.071 -5.091 19.108 1.00 0.00 H new HETATM 515 N NH2 A 254 2.232 -2.098 25.769 1.00 0.00 N TER 518 NH2 A 254