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+ 163:sc= 0 (180deg=-0.0624) USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.618) USER MOD Single : A 227 ASN : amide:sc= 0 X(o=0,f=-0.019) 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= -0.828 K(o=-0.83,f=-0.16) USER MOD Single : A 251 LYS NZ :NH3+ 149:sc= -0.235 (180deg=-1.38!) USER MOD Single : A 252 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.247) USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 8.263 -12.399 -8.919 1.00 0.00 C HETATM 2 O ACE A 222 7.984 -13.060 -9.918 1.00 0.00 O HETATM 3 CH3 ACE A 222 7.350 -11.270 -8.450 1.00 0.00 C HETATM 0 H1 ACE A 222 7.000 -11.481 -7.440 1.00 0.00 H new HETATM 0 H2 ACE A 222 7.902 -10.330 -8.453 1.00 0.00 H new HETATM 0 H3 ACE A 222 6.495 -11.191 -9.121 1.00 0.00 H new ATOM 7 N LYS A 223 9.354 -12.609 -8.192 1.00 0.00 N ATOM 8 CA LYS A 223 10.303 -13.661 -8.543 1.00 0.00 C ATOM 9 C LYS A 223 10.562 -13.668 -10.047 1.00 0.00 C ATOM 10 O LYS A 223 10.585 -14.726 -10.677 1.00 0.00 O ATOM 11 CB LYS A 223 9.757 -15.022 -8.109 1.00 0.00 C ATOM 12 CG LYS A 223 10.921 -15.981 -7.850 1.00 0.00 C ATOM 13 CD LYS A 223 10.379 -17.392 -7.620 1.00 0.00 C ATOM 14 CE LYS A 223 10.536 -18.215 -8.901 1.00 0.00 C ATOM 15 NZ LYS A 223 11.960 -18.625 -9.056 1.00 0.00 N1+ ATOM 0 H LYS A 223 9.603 -12.070 -7.362 1.00 0.00 H new ATOM 0 HA LYS A 223 11.242 -13.466 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 223 9.154 -14.913 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 223 9.104 -15.427 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 223 11.605 -15.977 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 223 11.490 -15.652 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 223 10.915 -17.870 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 223 9.329 -17.347 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 223 9.895 -19.096 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 223 10.219 -17.629 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 12.024 -19.404 -9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 12.519 -17.817 -9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 12.332 -18.941 -8.138 1.00 0.00 H new ATOM 29 N LYS A 224 10.754 -12.483 -10.615 1.00 0.00 N ATOM 30 CA LYS A 224 11.010 -12.366 -12.046 1.00 0.00 C ATOM 31 C LYS A 224 12.507 -12.253 -12.314 1.00 0.00 C ATOM 32 O LYS A 224 13.056 -12.984 -13.140 1.00 0.00 O ATOM 33 CB LYS A 224 10.295 -11.135 -12.606 1.00 0.00 C ATOM 34 CG LYS A 224 10.213 -11.239 -14.129 1.00 0.00 C ATOM 35 CD LYS A 224 8.865 -11.842 -14.528 1.00 0.00 C ATOM 36 CE LYS A 224 8.821 -12.033 -16.045 1.00 0.00 C ATOM 37 NZ LYS A 224 9.510 -13.305 -16.406 1.00 0.00 N1+ ATOM 0 H LYS A 224 10.738 -11.596 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 224 10.630 -13.261 -12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 224 9.294 -11.059 -12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 224 10.831 -10.230 -12.321 1.00 0.00 H new ATOM 0 HG2 LYS A 224 10.329 -10.253 -14.578 1.00 0.00 H new ATOM 0 HG3 LYS A 224 11.026 -11.859 -14.506 1.00 0.00 H new ATOM 0 HD2 LYS A 224 8.719 -12.798 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 224 8.053 -11.188 -14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 224 7.787 -12.057 -16.389 1.00 0.00 H new ATOM 0 HE3 LYS A 224 9.304 -11.192 -16.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 9.480 -13.435 -17.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 10.500 -13.265 -16.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 9.031 -14.103 -15.942 1.00 0.00 H new ATOM 51 N LYS A 225 13.162 -11.332 -11.613 1.00 0.00 N ATOM 52 CA LYS A 225 14.596 -11.132 -11.785 1.00 0.00 C ATOM 53 C LYS A 225 15.245 -10.748 -10.459 1.00 0.00 C ATOM 54 O LYS A 225 15.979 -9.763 -10.380 1.00 0.00 O ATOM 55 CB LYS A 225 14.851 -10.035 -12.819 1.00 0.00 C ATOM 56 CG LYS A 225 13.900 -10.217 -14.003 1.00 0.00 C ATOM 57 CD LYS A 225 14.250 -9.208 -15.099 1.00 0.00 C ATOM 58 CE LYS A 225 13.233 -9.317 -16.237 1.00 0.00 C ATOM 59 NZ LYS A 225 12.009 -8.542 -15.884 1.00 0.00 N1+ ATOM 0 H LYS A 225 12.726 -10.717 -10.926 1.00 0.00 H new ATOM 0 HA LYS A 225 15.035 -12.066 -12.134 1.00 0.00 H new ATOM 0 HB2 LYS A 225 14.703 -9.054 -12.368 1.00 0.00 H new ATOM 0 HB3 LYS A 225 15.885 -10.076 -13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 225 13.976 -11.233 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS A 225 12.869 -10.076 -13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 225 14.248 -8.197 -14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 225 15.255 -9.398 -15.476 1.00 0.00 H new ATOM 0 HE2 LYS A 225 13.664 -8.935 -17.162 1.00 0.00 H new ATOM 0 HE3 LYS A 225 12.977 -10.362 -16.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 11.182 -8.970 -16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 11.875 -8.555 -14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 12.115 -7.559 -16.207 1.00 0.00 H new ATOM 73 N ASP A 226 14.971 -11.532 -9.423 1.00 0.00 N ATOM 74 CA ASP A 226 15.533 -11.263 -8.105 1.00 0.00 C ATOM 75 C ASP A 226 15.327 -9.802 -7.721 1.00 0.00 C ATOM 76 O ASP A 226 16.260 -8.999 -7.768 1.00 0.00 O ATOM 77 CB ASP A 226 17.028 -11.587 -8.100 1.00 0.00 C ATOM 78 CG ASP A 226 17.235 -13.098 -8.128 1.00 0.00 C ATOM 79 OD1 ASP A 226 16.548 -13.784 -7.390 1.00 0.00 O1- ATOM 80 OD2 ASP A 226 18.076 -13.547 -8.890 1.00 0.00 O ATOM 0 H ASP A 226 14.368 -12.353 -9.469 1.00 0.00 H new ATOM 0 HA ASP A 226 15.021 -11.893 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 226 17.510 -11.130 -8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 226 17.497 -11.164 -7.212 1.00 0.00 H new ATOM 85 N ASN A 227 14.101 -9.463 -7.340 1.00 0.00 N ATOM 86 CA ASN A 227 13.782 -8.094 -6.950 1.00 0.00 C ATOM 87 C ASN A 227 13.958 -7.912 -5.445 1.00 0.00 C ATOM 88 O ASN A 227 13.612 -6.867 -4.893 1.00 0.00 O ATOM 89 CB ASN A 227 12.341 -7.761 -7.342 1.00 0.00 C ATOM 90 CG ASN A 227 12.320 -7.037 -8.683 1.00 0.00 C ATOM 91 OD1 ASN A 227 12.747 -5.886 -8.777 1.00 0.00 O ATOM 92 ND2 ASN A 227 11.845 -7.647 -9.735 1.00 0.00 N ATOM 0 H ASN A 227 13.316 -10.112 -7.293 1.00 0.00 H new ATOM 0 HA ASN A 227 14.463 -7.420 -7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 227 11.752 -8.676 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 227 11.882 -7.137 -6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 227 11.827 -7.170 -10.636 1.00 0.00 H new ATOM 0 HD22 ASN A 227 11.492 -8.601 -9.655 1.00 0.00 H new ATOM 99 N LEU A 228 14.498 -8.933 -4.790 1.00 0.00 N ATOM 100 CA LEU A 228 14.717 -8.874 -3.349 1.00 0.00 C ATOM 101 C LEU A 228 15.842 -9.816 -2.938 1.00 0.00 C ATOM 102 O LEU A 228 15.637 -10.741 -2.153 1.00 0.00 O ATOM 103 CB LEU A 228 13.433 -9.257 -2.610 1.00 0.00 C ATOM 104 CG LEU A 228 12.931 -10.607 -3.126 1.00 0.00 C ATOM 105 CD1 LEU A 228 12.629 -11.527 -1.940 1.00 0.00 C ATOM 106 CD2 LEU A 228 11.656 -10.397 -3.945 1.00 0.00 C ATOM 0 H LEU A 228 14.791 -9.806 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 228 14.998 -7.855 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 228 13.621 -9.312 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 228 12.672 -8.492 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 228 13.696 -11.063 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 228 12.271 -12.489 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 228 13.537 -11.677 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 228 11.864 -11.071 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 228 11.298 -11.358 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 228 10.891 -9.941 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 228 11.870 -9.742 -4.790 1.00 0.00 H new ATOM 118 N LEU A 229 17.034 -9.575 -3.476 1.00 0.00 N ATOM 119 CA LEU A 229 18.188 -10.410 -3.158 1.00 0.00 C ATOM 120 C LEU A 229 18.452 -10.409 -1.657 1.00 0.00 C ATOM 121 O LEU A 229 18.908 -11.405 -1.096 1.00 0.00 O ATOM 122 CB LEU A 229 19.426 -9.896 -3.897 1.00 0.00 C ATOM 123 CG LEU A 229 19.494 -8.372 -3.790 1.00 0.00 C ATOM 124 CD1 LEU A 229 20.926 -7.946 -3.460 1.00 0.00 C ATOM 125 CD2 LEU A 229 19.072 -7.747 -5.122 1.00 0.00 C ATOM 0 H LEU A 229 17.226 -8.815 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 229 17.973 -11.430 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 229 20.326 -10.341 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 229 19.387 -10.195 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 229 18.823 -8.034 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 229 20.974 -6.860 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 229 21.228 -8.390 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 229 21.597 -8.284 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 229 19.120 -6.661 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 229 19.743 -8.086 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 229 18.052 -8.049 -5.359 1.00 0.00 H new ATOM 137 N PHE A 230 18.166 -9.284 -1.012 1.00 0.00 N ATOM 138 CA PHE A 230 18.375 -9.164 0.427 1.00 0.00 C ATOM 139 C PHE A 230 17.678 -10.299 1.169 1.00 0.00 C ATOM 140 O PHE A 230 18.181 -10.793 2.178 1.00 0.00 O ATOM 141 CB PHE A 230 17.835 -7.820 0.922 1.00 0.00 C ATOM 142 CG PHE A 230 18.956 -6.809 0.952 1.00 0.00 C ATOM 143 CD1 PHE A 230 19.867 -6.742 -0.107 1.00 0.00 C ATOM 144 CD2 PHE A 230 19.083 -5.938 2.041 1.00 0.00 C ATOM 145 CE1 PHE A 230 20.906 -5.804 -0.079 1.00 0.00 C ATOM 146 CE2 PHE A 230 20.121 -5.000 2.070 1.00 0.00 C ATOM 147 CZ PHE A 230 21.033 -4.934 1.009 1.00 0.00 C ATOM 0 H PHE A 230 17.791 -8.447 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 230 19.445 -9.222 0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 230 17.036 -7.473 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 230 17.405 -7.933 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 230 19.769 -7.414 -0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 230 18.380 -5.990 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 230 21.609 -5.752 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 230 20.219 -4.328 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 230 21.835 -4.211 1.031 1.00 0.00 H new ATOM 157 N GLY A 231 16.520 -10.706 0.661 1.00 0.00 N ATOM 158 CA GLY A 231 15.762 -11.784 1.285 1.00 0.00 C ATOM 159 C GLY A 231 16.675 -12.943 1.669 1.00 0.00 C ATOM 160 O GLY A 231 16.519 -13.540 2.735 1.00 0.00 O ATOM 0 H GLY A 231 16.089 -10.310 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 231 15.252 -11.409 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 231 14.991 -12.135 0.599 1.00 0.00 H new ATOM 164 N SER A 232 17.626 -13.257 0.797 1.00 0.00 N ATOM 165 CA SER A 232 18.557 -14.349 1.059 1.00 0.00 C ATOM 166 C SER A 232 19.204 -14.178 2.427 1.00 0.00 C ATOM 167 O SER A 232 19.498 -15.157 3.115 1.00 0.00 O ATOM 168 CB SER A 232 19.638 -14.386 -0.021 1.00 0.00 C ATOM 169 OG SER A 232 20.227 -15.679 -0.051 1.00 0.00 O ATOM 0 H SER A 232 17.773 -12.776 -0.090 1.00 0.00 H new ATOM 0 HA SER A 232 18.003 -15.288 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 232 19.206 -14.148 -0.993 1.00 0.00 H new ATOM 0 HB3 SER A 232 20.398 -13.632 0.183 1.00 0.00 H new ATOM 0 HG SER A 232 20.920 -15.707 -0.744 1.00 0.00 H new ATOM 175 N ILE A 233 19.420 -12.929 2.813 1.00 0.00 N ATOM 176 CA ILE A 233 20.031 -12.629 4.102 1.00 0.00 C ATOM 177 C ILE A 233 18.959 -12.443 5.171 1.00 0.00 C ATOM 178 O ILE A 233 18.943 -13.152 6.179 1.00 0.00 O ATOM 179 CB ILE A 233 20.878 -11.361 3.995 1.00 0.00 C ATOM 180 CG1 ILE A 233 22.003 -11.587 2.983 1.00 0.00 C ATOM 181 CG2 ILE A 233 21.480 -11.030 5.361 1.00 0.00 C ATOM 182 CD1 ILE A 233 22.160 -10.342 2.106 1.00 0.00 C ATOM 0 H ILE A 233 19.183 -12.109 2.255 1.00 0.00 H new ATOM 0 HA ILE A 233 20.669 -13.466 4.387 1.00 0.00 H new ATOM 0 HB ILE A 233 20.251 -10.532 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 233 22.937 -11.798 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 233 21.780 -12.455 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 233 22.084 -10.126 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 233 20.679 -10.870 6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 233 22.107 -11.858 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 233 22.962 -10.503 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 233 21.227 -10.151 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 233 22.403 -9.484 2.733 1.00 0.00 H new ATOM 194 N ILE A 234 18.065 -11.485 4.945 1.00 0.00 N ATOM 195 CA ILE A 234 16.993 -11.215 5.896 1.00 0.00 C ATOM 196 C ILE A 234 16.171 -12.475 6.148 1.00 0.00 C ATOM 197 O ILE A 234 16.100 -12.967 7.274 1.00 0.00 O ATOM 198 CB ILE A 234 16.081 -10.110 5.359 1.00 0.00 C ATOM 199 CG1 ILE A 234 16.932 -8.985 4.763 1.00 0.00 C ATOM 200 CG2 ILE A 234 15.226 -9.552 6.499 1.00 0.00 C ATOM 201 CD1 ILE A 234 18.029 -8.588 5.754 1.00 0.00 C ATOM 0 H ILE A 234 18.061 -10.887 4.118 1.00 0.00 H new ATOM 0 HA ILE A 234 17.441 -10.891 6.835 1.00 0.00 H new ATOM 0 HB ILE A 234 15.432 -10.522 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 234 17.378 -9.312 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 234 16.305 -8.123 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 234 14.577 -8.765 6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 234 14.617 -10.351 6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 234 15.875 -9.142 7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 234 18.633 -7.787 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 234 17.573 -8.243 6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 234 18.663 -9.450 5.960 1.00 0.00 H new ATOM 213 N SER A 235 15.553 -12.991 5.091 1.00 0.00 N ATOM 214 CA SER A 235 14.737 -14.195 5.209 1.00 0.00 C ATOM 215 C SER A 235 15.490 -15.280 5.974 1.00 0.00 C ATOM 216 O SER A 235 14.899 -16.269 6.409 1.00 0.00 O ATOM 217 CB SER A 235 14.366 -14.712 3.818 1.00 0.00 C ATOM 218 OG SER A 235 13.161 -15.460 3.901 1.00 0.00 O ATOM 0 H SER A 235 15.600 -12.599 4.151 1.00 0.00 H new ATOM 0 HA SER A 235 13.829 -13.944 5.757 1.00 0.00 H new ATOM 0 HB2 SER A 235 14.242 -13.877 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 235 15.168 -15.336 3.423 1.00 0.00 H new ATOM 0 HG SER A 235 12.920 -15.791 3.011 1.00 0.00 H new ATOM 224 N ALA A 236 16.795 -15.086 6.133 1.00 0.00 N ATOM 225 CA ALA A 236 17.619 -16.055 6.848 1.00 0.00 C ATOM 226 C ALA A 236 17.500 -15.850 8.355 1.00 0.00 C ATOM 227 O ALA A 236 17.580 -16.803 9.130 1.00 0.00 O ATOM 228 CB ALA A 236 19.081 -15.910 6.424 1.00 0.00 C ATOM 0 H ALA A 236 17.302 -14.274 5.780 1.00 0.00 H new ATOM 0 HA ALA A 236 17.268 -17.057 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 236 19.690 -16.637 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 236 19.168 -16.087 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 236 19.429 -14.903 6.655 1.00 0.00 H new ATOM 234 N VAL A 237 17.305 -14.600 8.763 1.00 0.00 N ATOM 235 CA VAL A 237 17.174 -14.279 10.179 1.00 0.00 C ATOM 236 C VAL A 237 16.316 -15.323 10.889 1.00 0.00 C ATOM 237 O VAL A 237 15.348 -15.829 10.322 1.00 0.00 O ATOM 238 CB VAL A 237 16.540 -12.896 10.343 1.00 0.00 C ATOM 239 CG1 VAL A 237 15.928 -12.773 11.740 1.00 0.00 C ATOM 240 CG2 VAL A 237 17.614 -11.821 10.162 1.00 0.00 C ATOM 0 H VAL A 237 17.235 -13.798 8.137 1.00 0.00 H new ATOM 0 HA VAL A 237 18.168 -14.279 10.626 1.00 0.00 H new ATOM 0 HB VAL A 237 15.759 -12.764 9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 237 15.477 -11.787 11.854 1.00 0.00 H new ATOM 0 HG12 VAL A 237 15.164 -13.539 11.871 1.00 0.00 H new ATOM 0 HG13 VAL A 237 16.707 -12.905 12.491 1.00 0.00 H new ATOM 0 HG21 VAL A 237 17.165 -10.835 10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 237 18.393 -11.956 10.912 1.00 0.00 H new ATOM 0 HG23 VAL A 237 18.050 -11.906 9.167 1.00 0.00 H new ATOM 250 N ASP A 238 16.681 -15.636 12.130 1.00 0.00 N ATOM 251 CA ASP A 238 15.942 -16.620 12.915 1.00 0.00 C ATOM 252 C ASP A 238 15.336 -15.967 14.159 1.00 0.00 C ATOM 253 O ASP A 238 15.827 -14.938 14.623 1.00 0.00 O ATOM 254 CB ASP A 238 16.882 -17.747 13.345 1.00 0.00 C ATOM 255 CG ASP A 238 16.745 -18.934 12.397 1.00 0.00 C ATOM 256 OD1 ASP A 238 15.731 -19.611 12.470 1.00 0.00 O1- ATOM 257 OD2 ASP A 238 17.654 -19.151 11.614 1.00 0.00 O ATOM 0 H ASP A 238 17.480 -15.224 12.611 1.00 0.00 H new ATOM 0 HA ASP A 238 15.139 -17.023 12.298 1.00 0.00 H new ATOM 0 HB2 ASP A 238 17.912 -17.391 13.348 1.00 0.00 H new ATOM 0 HB3 ASP A 238 16.649 -18.057 14.364 1.00 0.00 H new ATOM 262 N PRO A 239 14.290 -16.538 14.711 1.00 0.00 N ATOM 263 CA PRO A 239 13.629 -15.989 15.927 1.00 0.00 C ATOM 264 C PRO A 239 14.636 -15.474 16.950 1.00 0.00 C ATOM 265 O PRO A 239 14.437 -14.423 17.558 1.00 0.00 O ATOM 266 CB PRO A 239 12.862 -17.186 16.482 1.00 0.00 C ATOM 267 CG PRO A 239 12.534 -18.027 15.294 1.00 0.00 C ATOM 268 CD PRO A 239 13.618 -17.764 14.242 1.00 0.00 C ATOM 0 HA PRO A 239 12.996 -15.132 15.698 1.00 0.00 H new ATOM 0 HB2 PRO A 239 13.464 -17.740 17.202 1.00 0.00 H new ATOM 0 HB3 PRO A 239 11.958 -16.868 17.001 1.00 0.00 H new ATOM 0 HG2 PRO A 239 12.508 -19.083 15.565 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.548 -17.774 14.903 1.00 0.00 H new ATOM 0 HD2 PRO A 239 14.316 -18.598 14.172 1.00 0.00 H new ATOM 0 HD3 PRO A 239 13.186 -17.627 13.251 1.00 0.00 H new ATOM 276 N VAL A 240 15.715 -16.227 17.135 1.00 0.00 N ATOM 277 CA VAL A 240 16.749 -15.842 18.090 1.00 0.00 C ATOM 278 C VAL A 240 17.249 -14.434 17.796 1.00 0.00 C ATOM 279 O VAL A 240 17.570 -13.674 18.710 1.00 0.00 O ATOM 280 CB VAL A 240 17.917 -16.828 18.020 1.00 0.00 C ATOM 281 CG1 VAL A 240 19.179 -16.169 18.579 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.582 -18.071 18.848 1.00 0.00 C ATOM 0 H VAL A 240 15.896 -17.101 16.641 1.00 0.00 H new ATOM 0 HA VAL A 240 16.319 -15.860 19.092 1.00 0.00 H new ATOM 0 HB VAL A 240 18.088 -17.115 16.982 1.00 0.00 H new ATOM 0 HG11 VAL A 240 20.010 -16.873 18.528 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.418 -15.283 17.991 1.00 0.00 H new ATOM 0 HG13 VAL A 240 19.010 -15.881 19.617 1.00 0.00 H new ATOM 0 HG21 VAL A 240 18.413 -18.775 18.800 1.00 0.00 H new ATOM 0 HG22 VAL A 240 17.411 -17.782 19.885 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.683 -18.542 18.450 1.00 0.00 H new ATOM 292 N ALA A 241 17.309 -14.092 16.516 1.00 0.00 N ATOM 293 CA ALA A 241 17.765 -12.771 16.108 1.00 0.00 C ATOM 294 C ALA A 241 16.633 -11.763 16.243 1.00 0.00 C ATOM 295 O ALA A 241 16.862 -10.582 16.505 1.00 0.00 O ATOM 296 CB ALA A 241 18.237 -12.813 14.656 1.00 0.00 C ATOM 0 H ALA A 241 17.049 -14.708 15.746 1.00 0.00 H new ATOM 0 HA ALA A 241 18.592 -12.470 16.751 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.577 -11.822 14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.058 -13.523 14.561 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.413 -13.124 14.014 1.00 0.00 H new ATOM 302 N VAL A 242 15.410 -12.244 16.058 1.00 0.00 N ATOM 303 CA VAL A 242 14.236 -11.390 16.155 1.00 0.00 C ATOM 304 C VAL A 242 13.807 -11.229 17.610 1.00 0.00 C ATOM 305 O VAL A 242 13.097 -10.287 17.957 1.00 0.00 O ATOM 306 CB VAL A 242 13.090 -11.993 15.347 1.00 0.00 C ATOM 307 CG1 VAL A 242 11.979 -10.954 15.183 1.00 0.00 C ATOM 308 CG2 VAL A 242 13.607 -12.409 13.968 1.00 0.00 C ATOM 0 H VAL A 242 15.207 -13.220 15.840 1.00 0.00 H new ATOM 0 HA VAL A 242 14.488 -10.408 15.754 1.00 0.00 H new ATOM 0 HB VAL A 242 12.696 -12.866 15.868 1.00 0.00 H new ATOM 0 HG11 VAL A 242 11.161 -11.384 14.606 1.00 0.00 H new ATOM 0 HG12 VAL A 242 11.613 -10.655 16.165 1.00 0.00 H new ATOM 0 HG13 VAL A 242 12.371 -10.081 14.661 1.00 0.00 H new ATOM 0 HG21 VAL A 242 12.791 -12.840 13.388 1.00 0.00 H new ATOM 0 HG22 VAL A 242 14.000 -11.535 13.448 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.399 -13.148 14.084 1.00 0.00 H new ATOM 318 N LEU A 243 14.243 -12.156 18.454 1.00 0.00 N ATOM 319 CA LEU A 243 13.899 -12.111 19.870 1.00 0.00 C ATOM 320 C LEU A 243 14.386 -10.811 20.500 1.00 0.00 C ATOM 321 O LEU A 243 13.592 -10.026 21.020 1.00 0.00 O ATOM 322 CB LEU A 243 14.533 -13.301 20.596 1.00 0.00 C ATOM 323 CG LEU A 243 13.842 -13.502 21.947 1.00 0.00 C ATOM 324 CD1 LEU A 243 12.639 -14.429 21.774 1.00 0.00 C ATOM 325 CD2 LEU A 243 14.831 -14.130 22.932 1.00 0.00 C ATOM 0 H LEU A 243 14.832 -12.944 18.185 1.00 0.00 H new ATOM 0 HA LEU A 243 12.814 -12.161 19.964 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.439 -14.202 19.990 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.599 -13.125 20.743 1.00 0.00 H new ATOM 0 HG LEU A 243 13.504 -12.539 22.330 1.00 0.00 H new ATOM 0 HD11 LEU A 243 12.148 -14.571 22.737 1.00 0.00 H new ATOM 0 HD12 LEU A 243 11.936 -13.985 21.070 1.00 0.00 H new ATOM 0 HD13 LEU A 243 12.975 -15.393 21.392 1.00 0.00 H new ATOM 0 HD21 LEU A 243 14.342 -14.275 23.896 1.00 0.00 H new ATOM 0 HD22 LEU A 243 15.166 -15.093 22.547 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.690 -13.470 23.056 1.00 0.00 H new ATOM 337 N ALA A 244 15.695 -10.590 20.453 1.00 0.00 N ATOM 338 CA ALA A 244 16.280 -9.382 21.023 1.00 0.00 C ATOM 339 C ALA A 244 15.427 -8.161 20.699 1.00 0.00 C ATOM 340 O ALA A 244 15.396 -7.193 21.458 1.00 0.00 O ATOM 341 CB ALA A 244 17.693 -9.180 20.474 1.00 0.00 C ATOM 0 H ALA A 244 16.368 -11.228 20.028 1.00 0.00 H new ATOM 0 HA ALA A 244 16.321 -9.500 22.106 1.00 0.00 H new ATOM 0 HB1 ALA A 244 18.124 -8.276 20.904 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.312 -10.038 20.737 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.651 -9.082 19.389 1.00 0.00 H new ATOM 347 N VAL A 245 14.736 -8.217 19.567 1.00 0.00 N ATOM 348 CA VAL A 245 13.883 -7.110 19.149 1.00 0.00 C ATOM 349 C VAL A 245 12.464 -7.299 19.671 1.00 0.00 C ATOM 350 O VAL A 245 11.959 -6.482 20.438 1.00 0.00 O ATOM 351 CB VAL A 245 13.859 -7.018 17.623 1.00 0.00 C ATOM 352 CG1 VAL A 245 13.771 -5.550 17.201 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.140 -7.634 17.056 1.00 0.00 C ATOM 0 H VAL A 245 14.748 -9.010 18.926 1.00 0.00 H new ATOM 0 HA VAL A 245 14.289 -6.187 19.563 1.00 0.00 H new ATOM 0 HB VAL A 245 12.993 -7.559 17.240 1.00 0.00 H new ATOM 0 HG11 VAL A 245 13.754 -5.485 16.113 1.00 0.00 H new ATOM 0 HG12 VAL A 245 12.860 -5.109 17.605 1.00 0.00 H new ATOM 0 HG13 VAL A 245 14.637 -5.009 17.583 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.124 -7.569 15.968 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.005 -7.092 17.439 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.205 -8.680 17.356 1.00 0.00 H new ATOM 363 N PHE A 246 11.825 -8.383 19.248 1.00 0.00 N ATOM 364 CA PHE A 246 10.461 -8.672 19.677 1.00 0.00 C ATOM 365 C PHE A 246 10.332 -8.532 21.190 1.00 0.00 C ATOM 366 O PHE A 246 9.226 -8.484 21.727 1.00 0.00 O ATOM 367 CB PHE A 246 10.073 -10.089 19.260 1.00 0.00 C ATOM 368 CG PHE A 246 9.048 -10.631 20.226 1.00 0.00 C ATOM 369 CD1 PHE A 246 9.461 -11.330 21.367 1.00 0.00 C ATOM 370 CD2 PHE A 246 7.683 -10.435 19.981 1.00 0.00 C ATOM 371 CE1 PHE A 246 8.509 -11.833 22.263 1.00 0.00 C ATOM 372 CE2 PHE A 246 6.731 -10.937 20.878 1.00 0.00 C ATOM 373 CZ PHE A 246 7.144 -11.637 22.018 1.00 0.00 C ATOM 0 H PHE A 246 12.226 -9.073 18.612 1.00 0.00 H new ATOM 0 HA PHE A 246 9.792 -7.956 19.200 1.00 0.00 H new ATOM 0 HB2 PHE A 246 9.669 -10.085 18.248 1.00 0.00 H new ATOM 0 HB3 PHE A 246 10.954 -10.731 19.249 1.00 0.00 H new ATOM 0 HD1 PHE A 246 10.513 -11.481 21.556 1.00 0.00 H new ATOM 0 HD2 PHE A 246 7.364 -9.897 19.101 1.00 0.00 H new ATOM 0 HE1 PHE A 246 8.828 -12.372 23.143 1.00 0.00 H new ATOM 0 HE2 PHE A 246 5.679 -10.784 20.690 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.410 -12.026 22.708 1.00 0.00 H new ATOM 383 N GLU A 247 11.471 -8.472 21.873 1.00 0.00 N ATOM 384 CA GLU A 247 11.470 -8.340 23.327 1.00 0.00 C ATOM 385 C GLU A 247 11.147 -6.909 23.739 1.00 0.00 C ATOM 386 O GLU A 247 10.555 -6.677 24.792 1.00 0.00 O ATOM 387 CB GLU A 247 12.838 -8.740 23.884 1.00 0.00 C ATOM 388 CG GLU A 247 13.059 -10.237 23.666 1.00 0.00 C ATOM 389 CD GLU A 247 12.871 -10.988 24.980 1.00 0.00 C ATOM 390 OE1 GLU A 247 13.496 -10.602 25.954 1.00 0.00 O ATOM 391 OE2 GLU A 247 12.106 -11.939 24.992 1.00 0.00 O1- ATOM 0 H GLU A 247 12.398 -8.512 21.449 1.00 0.00 H new ATOM 0 HA GLU A 247 10.703 -9.000 23.733 1.00 0.00 H new ATOM 0 HB2 GLU A 247 13.625 -8.170 23.390 1.00 0.00 H new ATOM 0 HB3 GLU A 247 12.893 -8.504 24.947 1.00 0.00 H new ATOM 0 HG2 GLU A 247 12.358 -10.612 22.920 1.00 0.00 H new ATOM 0 HG3 GLU A 247 14.062 -10.412 23.278 1.00 0.00 H new ATOM 398 N GLU A 248 11.542 -5.952 22.906 1.00 0.00 N ATOM 399 CA GLU A 248 11.288 -4.546 23.199 1.00 0.00 C ATOM 400 C GLU A 248 9.956 -4.101 22.602 1.00 0.00 C ATOM 401 O GLU A 248 9.365 -3.116 23.044 1.00 0.00 O ATOM 402 CB GLU A 248 12.423 -3.682 22.641 1.00 0.00 C ATOM 403 CG GLU A 248 12.123 -3.305 21.188 1.00 0.00 C ATOM 404 CD GLU A 248 13.406 -2.875 20.486 1.00 0.00 C ATOM 405 OE1 GLU A 248 14.404 -2.706 21.168 1.00 0.00 O ATOM 406 OE2 GLU A 248 13.373 -2.724 19.276 1.00 0.00 O1- ATOM 0 H GLU A 248 12.035 -6.122 22.030 1.00 0.00 H new ATOM 0 HA GLU A 248 11.240 -4.423 24.281 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.536 -2.781 23.244 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.367 -4.224 22.698 1.00 0.00 H new ATOM 0 HG2 GLU A 248 11.681 -4.154 20.667 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.393 -2.496 21.157 1.00 0.00 H new ATOM 413 N ILE A 249 9.491 -4.832 21.594 1.00 0.00 N ATOM 414 CA ILE A 249 8.229 -4.501 20.941 1.00 0.00 C ATOM 415 C ILE A 249 7.051 -4.775 21.870 1.00 0.00 C ATOM 416 O ILE A 249 6.434 -3.849 22.396 1.00 0.00 O ATOM 417 CB ILE A 249 8.071 -5.323 19.661 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.101 -4.862 18.627 1.00 0.00 C ATOM 419 CG2 ILE A 249 6.661 -5.129 19.100 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.145 -5.857 17.466 1.00 0.00 C ATOM 0 H ILE A 249 9.965 -5.651 21.214 1.00 0.00 H new ATOM 0 HA ILE A 249 8.241 -3.439 20.694 1.00 0.00 H new ATOM 0 HB ILE A 249 8.230 -6.378 19.885 1.00 0.00 H new ATOM 0 HG12 ILE A 249 8.842 -3.869 18.259 1.00 0.00 H new ATOM 0 HG13 ILE A 249 10.085 -4.784 19.089 1.00 0.00 H new ATOM 0 HG21 ILE A 249 6.549 -5.715 18.188 1.00 0.00 H new ATOM 0 HG22 ILE A 249 5.928 -5.459 19.836 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.500 -4.074 18.876 1.00 0.00 H new ATOM 0 HD11 ILE A 249 9.879 -5.526 16.731 1.00 0.00 H new ATOM 0 HD12 ILE A 249 9.425 -6.841 17.841 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.162 -5.913 16.997 1.00 0.00 H new ATOM 432 N HIS A 250 6.743 -6.054 22.067 1.00 0.00 N ATOM 433 CA HIS A 250 5.635 -6.434 22.936 1.00 0.00 C ATOM 434 C HIS A 250 5.758 -5.745 24.290 1.00 0.00 C ATOM 435 O HIS A 250 4.783 -5.638 25.035 1.00 0.00 O ATOM 436 CB HIS A 250 5.620 -7.952 23.130 1.00 0.00 C ATOM 437 CG HIS A 250 6.520 -8.323 24.275 1.00 0.00 C ATOM 438 ND1 HIS A 250 6.056 -9.001 25.391 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.860 -8.118 24.493 1.00 0.00 C ATOM 440 CE1 HIS A 250 7.099 -9.179 26.222 1.00 0.00 C ATOM 441 NE2 HIS A 250 8.224 -8.660 25.722 1.00 0.00 N ATOM 0 H HIS A 250 7.239 -6.837 21.641 1.00 0.00 H new ATOM 0 HA HIS A 250 4.703 -6.121 22.466 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.604 -8.293 23.328 1.00 0.00 H new ATOM 0 HB3 HIS A 250 5.951 -8.449 22.218 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.530 -7.613 23.813 1.00 0.00 H new ATOM 0 HE1 HIS A 250 7.035 -9.680 27.177 1.00 0.00 H new ATOM 0 HE2 HIS A 250 9.150 -8.661 26.149 1.00 0.00 H new ATOM 449 N LYS A 251 6.962 -5.278 24.601 1.00 0.00 N ATOM 450 CA LYS A 251 7.205 -4.596 25.865 1.00 0.00 C ATOM 451 C LYS A 251 6.861 -3.114 25.743 1.00 0.00 C ATOM 452 O LYS A 251 6.566 -2.449 26.736 1.00 0.00 O ATOM 453 CB LYS A 251 8.673 -4.753 26.266 1.00 0.00 C ATOM 454 CG LYS A 251 8.892 -4.183 27.669 1.00 0.00 C ATOM 455 CD LYS A 251 10.369 -4.313 28.045 1.00 0.00 C ATOM 456 CE LYS A 251 11.080 -2.984 27.790 1.00 0.00 C ATOM 457 NZ LYS A 251 10.461 -1.919 28.628 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.781 -5.359 23.998 1.00 0.00 H new ATOM 0 HA LYS A 251 6.571 -5.043 26.631 1.00 0.00 H new ATOM 0 HB2 LYS A 251 8.955 -5.806 26.243 1.00 0.00 H new ATOM 0 HB3 LYS A 251 9.312 -4.236 25.550 1.00 0.00 H new ATOM 0 HG2 LYS A 251 8.588 -3.137 27.700 1.00 0.00 H new ATOM 0 HG3 LYS A 251 8.273 -4.716 28.391 1.00 0.00 H new ATOM 0 HD2 LYS A 251 10.465 -4.593 29.094 1.00 0.00 H new ATOM 0 HD3 LYS A 251 10.836 -5.105 27.460 1.00 0.00 H new ATOM 0 HE2 LYS A 251 12.140 -3.076 28.025 1.00 0.00 H new ATOM 0 HE3 LYS A 251 11.009 -2.718 26.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 11.181 -1.212 28.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 9.695 -1.459 28.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 10.074 -2.341 29.496 1.00 0.00 H new ATOM 471 N LYS A 252 6.900 -2.610 24.516 1.00 0.00 N ATOM 472 CA LYS A 252 6.589 -1.208 24.265 1.00 0.00 C ATOM 473 C LYS A 252 5.087 -1.016 24.088 1.00 0.00 C ATOM 474 O LYS A 252 4.529 0.003 24.496 1.00 0.00 O ATOM 475 CB LYS A 252 7.317 -0.729 23.007 1.00 0.00 C ATOM 476 CG LYS A 252 8.793 -0.481 23.331 1.00 0.00 C ATOM 477 CD LYS A 252 9.022 1.016 23.548 1.00 0.00 C ATOM 478 CE LYS A 252 10.342 1.228 24.292 1.00 0.00 C ATOM 479 NZ LYS A 252 11.454 0.614 23.513 1.00 0.00 N1+ ATOM 0 H LYS A 252 7.142 -3.147 23.683 1.00 0.00 H new ATOM 0 HA LYS A 252 6.921 -0.623 25.123 1.00 0.00 H new ATOM 0 HB2 LYS A 252 7.228 -1.475 22.217 1.00 0.00 H new ATOM 0 HB3 LYS A 252 6.857 0.186 22.635 1.00 0.00 H new ATOM 0 HG2 LYS A 252 9.079 -1.037 24.224 1.00 0.00 H new ATOM 0 HG3 LYS A 252 9.421 -0.842 22.516 1.00 0.00 H new ATOM 0 HD2 LYS A 252 9.046 1.534 22.589 1.00 0.00 H new ATOM 0 HD3 LYS A 252 8.198 1.442 24.120 1.00 0.00 H new ATOM 0 HE2 LYS A 252 10.526 2.293 24.432 1.00 0.00 H new ATOM 0 HE3 LYS A 252 10.289 0.781 25.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 12.363 0.992 23.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 11.440 -0.418 23.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 11.337 0.838 22.504 1.00 0.00 H new ATOM 493 N LYS A 253 4.440 -2.002 23.476 1.00 0.00 N ATOM 494 CA LYS A 253 3.000 -1.932 23.249 1.00 0.00 C ATOM 495 C LYS A 253 2.290 -1.375 24.478 1.00 0.00 C ATOM 496 O LYS A 253 1.315 -0.634 24.353 1.00 0.00 O ATOM 497 CB LYS A 253 2.455 -3.326 22.932 1.00 0.00 C ATOM 498 CG LYS A 253 2.925 -3.754 21.539 1.00 0.00 C ATOM 499 CD LYS A 253 1.906 -3.293 20.494 1.00 0.00 C ATOM 500 CE LYS A 253 0.811 -4.350 20.347 1.00 0.00 C ATOM 501 NZ LYS A 253 1.234 -5.369 19.347 1.00 0.00 N1+ ATOM 0 H LYS A 253 4.885 -2.853 23.131 1.00 0.00 H new ATOM 0 HA LYS A 253 2.816 -1.268 22.405 1.00 0.00 H new ATOM 0 HB2 LYS A 253 2.799 -4.041 23.679 1.00 0.00 H new ATOM 0 HB3 LYS A 253 1.366 -3.320 22.974 1.00 0.00 H new ATOM 0 HG2 LYS A 253 3.903 -3.322 21.325 1.00 0.00 H new ATOM 0 HG3 LYS A 253 3.039 -4.837 21.499 1.00 0.00 H new ATOM 0 HD2 LYS A 253 1.469 -2.340 20.793 1.00 0.00 H new ATOM 0 HD3 LYS A 253 2.400 -3.130 19.536 1.00 0.00 H new ATOM 0 HE2 LYS A 253 0.620 -4.826 21.308 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -0.121 -3.881 20.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 0.489 -6.088 19.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 1.396 -4.908 18.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 2.113 -5.824 19.666 1.00 0.00 H new HETATM 515 N NH2 A 254 2.725 -1.687 25.669 1.00 0.00 N TER 518 NH2 A 254