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+ 158:sc= 0 (180deg=-0.00897) USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 LYS NZ :NH3+ 156:sc=-0.00823 (180deg=-0.223) USER MOD Single : A 227 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.13) 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= -0.692 K(o=-0.69,f=-0.13) USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 LYS NZ :NH3+ -160:sc= -0.0613 (180deg=-0.443) USER MOD Single : A 253 LYS NZ :NH3+ -150:sc= -0.0833 (180deg=-0.583) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 17.278 3.775 5.652 1.00 0.00 C HETATM 2 O ACE A 222 17.354 4.979 5.413 1.00 0.00 O HETATM 3 CH3 ACE A 222 17.849 3.197 6.943 1.00 0.00 C HETATM 0 H1 ACE A 222 17.051 2.719 7.512 1.00 0.00 H new HETATM 0 H2 ACE A 222 18.616 2.460 6.704 1.00 0.00 H new HETATM 0 H3 ACE A 222 18.289 3.998 7.537 1.00 0.00 H new ATOM 7 N LYS A 223 16.706 2.907 4.825 1.00 0.00 N ATOM 8 CA LYS A 223 16.124 3.343 3.559 1.00 0.00 C ATOM 9 C LYS A 223 14.820 2.601 3.285 1.00 0.00 C ATOM 10 O LYS A 223 14.828 1.422 2.933 1.00 0.00 O ATOM 11 CB LYS A 223 17.109 3.088 2.417 1.00 0.00 C ATOM 12 CG LYS A 223 18.030 4.299 2.256 1.00 0.00 C ATOM 13 CD LYS A 223 17.362 5.331 1.346 1.00 0.00 C ATOM 14 CE LYS A 223 17.755 5.060 -0.109 1.00 0.00 C ATOM 15 NZ LYS A 223 19.107 5.629 -0.373 1.00 0.00 N1+ ATOM 0 H LYS A 223 16.632 1.906 5.005 1.00 0.00 H new ATOM 0 HA LYS A 223 15.914 4.410 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 223 17.698 2.195 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 223 16.567 2.904 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 223 18.242 4.740 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 223 18.985 3.989 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 223 16.279 5.282 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 223 17.666 6.337 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 223 17.756 3.987 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 223 17.023 5.505 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 19.531 5.150 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 19.023 6.646 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 19.712 5.488 0.461 1.00 0.00 H new ATOM 29 N LYS A 224 13.702 3.300 3.450 1.00 0.00 N ATOM 30 CA LYS A 224 12.394 2.697 3.216 1.00 0.00 C ATOM 31 C LYS A 224 12.174 1.517 4.157 1.00 0.00 C ATOM 32 O LYS A 224 13.120 0.826 4.535 1.00 0.00 O ATOM 33 CB LYS A 224 12.290 2.220 1.766 1.00 0.00 C ATOM 34 CG LYS A 224 10.968 2.703 1.165 1.00 0.00 C ATOM 35 CD LYS A 224 10.839 2.180 -0.268 1.00 0.00 C ATOM 36 CE LYS A 224 10.078 3.201 -1.117 1.00 0.00 C ATOM 37 NZ LYS A 224 9.678 2.574 -2.408 1.00 0.00 N1+ ATOM 0 H LYS A 224 13.674 4.277 3.742 1.00 0.00 H new ATOM 0 HA LYS A 224 11.628 3.449 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 224 13.128 2.604 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 224 12.345 1.132 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 224 10.131 2.351 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 224 10.930 3.792 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 224 11.827 2.003 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 224 10.314 1.225 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 224 9.195 3.550 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 224 10.704 4.074 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 9.161 3.268 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 10.528 2.262 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 9.066 1.754 -2.221 1.00 0.00 H new ATOM 51 N LYS A 225 10.918 1.293 4.533 1.00 0.00 N ATOM 52 CA LYS A 225 10.585 0.194 5.431 1.00 0.00 C ATOM 53 C LYS A 225 9.206 -0.368 5.101 1.00 0.00 C ATOM 54 O LYS A 225 8.231 -0.099 5.803 1.00 0.00 O ATOM 55 CB LYS A 225 10.607 0.679 6.882 1.00 0.00 C ATOM 56 CG LYS A 225 12.045 0.990 7.297 1.00 0.00 C ATOM 57 CD LYS A 225 12.089 1.305 8.794 1.00 0.00 C ATOM 58 CE LYS A 225 13.164 2.361 9.062 1.00 0.00 C ATOM 59 NZ LYS A 225 12.686 3.689 8.584 1.00 0.00 N1+ ATOM 0 H LYS A 225 10.121 1.853 4.232 1.00 0.00 H new ATOM 0 HA LYS A 225 11.327 -0.594 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 225 9.987 1.569 6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 225 10.185 -0.083 7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 225 12.691 0.140 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 225 12.424 1.837 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 225 11.117 1.667 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 225 12.304 0.399 9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 225 13.388 2.405 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 225 14.089 2.091 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 13.184 4.443 9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 12.877 3.781 7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 11.663 3.771 8.753 1.00 0.00 H new ATOM 73 N ASP A 226 9.133 -1.151 4.030 1.00 0.00 N ATOM 74 CA ASP A 226 7.867 -1.747 3.617 1.00 0.00 C ATOM 75 C ASP A 226 8.106 -3.072 2.901 1.00 0.00 C ATOM 76 O ASP A 226 7.702 -3.249 1.751 1.00 0.00 O ATOM 77 CB ASP A 226 7.118 -0.791 2.687 1.00 0.00 C ATOM 78 CG ASP A 226 5.680 -1.263 2.503 1.00 0.00 C ATOM 79 OD1 ASP A 226 5.112 -1.759 3.463 1.00 0.00 O ATOM 80 OD2 ASP A 226 5.166 -1.123 1.405 1.00 0.00 O1- ATOM 0 H ASP A 226 9.928 -1.387 3.436 1.00 0.00 H new ATOM 0 HA ASP A 226 7.267 -1.932 4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 226 7.128 0.217 3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 226 7.620 -0.742 1.721 1.00 0.00 H new ATOM 85 N ASN A 227 8.764 -3.999 3.588 1.00 0.00 N ATOM 86 CA ASN A 227 9.051 -5.307 3.007 1.00 0.00 C ATOM 87 C ASN A 227 9.743 -5.154 1.656 1.00 0.00 C ATOM 88 O ASN A 227 9.087 -5.018 0.624 1.00 0.00 O ATOM 89 CB ASN A 227 7.753 -6.096 2.830 1.00 0.00 C ATOM 90 CG ASN A 227 7.016 -6.194 4.161 1.00 0.00 C ATOM 91 OD1 ASN A 227 6.951 -7.268 4.758 1.00 0.00 O ATOM 92 ND2 ASN A 227 6.451 -5.130 4.664 1.00 0.00 N ATOM 0 H ASN A 227 9.107 -3.872 4.540 1.00 0.00 H new ATOM 0 HA ASN A 227 9.715 -5.846 3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 227 7.119 -5.608 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 227 7.973 -7.095 2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 227 5.955 -5.188 5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 227 6.506 -4.241 4.168 1.00 0.00 H new ATOM 99 N LEU A 228 11.072 -5.178 1.671 1.00 0.00 N ATOM 100 CA LEU A 228 11.846 -5.043 0.445 1.00 0.00 C ATOM 101 C LEU A 228 12.975 -6.072 0.417 1.00 0.00 C ATOM 102 O LEU A 228 13.012 -6.984 1.241 1.00 0.00 O ATOM 103 CB LEU A 228 12.421 -3.627 0.347 1.00 0.00 C ATOM 104 CG LEU A 228 12.855 -3.155 1.736 1.00 0.00 C ATOM 105 CD1 LEU A 228 14.113 -2.292 1.615 1.00 0.00 C ATOM 106 CD2 LEU A 228 11.731 -2.328 2.366 1.00 0.00 C ATOM 0 H LEU A 228 11.632 -5.289 2.516 1.00 0.00 H new ATOM 0 HA LEU A 228 11.191 -5.221 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 228 13.271 -3.615 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 228 11.674 -2.947 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 228 13.068 -4.021 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 228 14.421 -1.957 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 228 14.914 -2.878 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 228 13.901 -1.426 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 228 12.038 -1.991 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 228 11.519 -1.463 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 228 10.834 -2.941 2.454 1.00 0.00 H new ATOM 118 N LEU A 229 13.888 -5.918 -0.537 1.00 0.00 N ATOM 119 CA LEU A 229 15.012 -6.839 -0.668 1.00 0.00 C ATOM 120 C LEU A 229 15.551 -7.245 0.702 1.00 0.00 C ATOM 121 O LEU A 229 16.035 -8.362 0.883 1.00 0.00 O ATOM 122 CB LEU A 229 16.129 -6.187 -1.485 1.00 0.00 C ATOM 123 CG LEU A 229 16.316 -4.735 -1.034 1.00 0.00 C ATOM 124 CD1 LEU A 229 17.810 -4.425 -0.905 1.00 0.00 C ATOM 125 CD2 LEU A 229 15.694 -3.796 -2.070 1.00 0.00 C ATOM 0 H LEU A 229 13.872 -5.168 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 229 14.658 -7.734 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 229 17.059 -6.741 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 229 15.883 -6.220 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 229 15.830 -4.592 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 229 17.941 -3.392 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 229 18.258 -5.093 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 229 18.296 -4.570 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 229 15.826 -2.762 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 229 16.182 -3.943 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 229 14.630 -4.013 -2.165 1.00 0.00 H new ATOM 137 N PHE A 230 15.462 -6.332 1.665 1.00 0.00 N ATOM 138 CA PHE A 230 15.944 -6.613 3.014 1.00 0.00 C ATOM 139 C PHE A 230 15.199 -7.801 3.612 1.00 0.00 C ATOM 140 O PHE A 230 15.797 -8.653 4.270 1.00 0.00 O ATOM 141 CB PHE A 230 15.752 -5.385 3.908 1.00 0.00 C ATOM 142 CG PHE A 230 17.033 -4.589 3.949 1.00 0.00 C ATOM 143 CD1 PHE A 230 17.658 -4.214 2.753 1.00 0.00 C ATOM 144 CD2 PHE A 230 17.597 -4.226 5.178 1.00 0.00 C ATOM 145 CE1 PHE A 230 18.848 -3.476 2.787 1.00 0.00 C ATOM 146 CE2 PHE A 230 18.787 -3.487 5.211 1.00 0.00 C ATOM 147 CZ PHE A 230 19.412 -3.113 4.015 1.00 0.00 C ATOM 0 H PHE A 230 15.065 -5.401 1.539 1.00 0.00 H new ATOM 0 HA PHE A 230 17.005 -6.855 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 230 14.939 -4.767 3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 230 15.471 -5.695 4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 230 17.223 -4.494 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 230 17.115 -4.515 6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 230 19.330 -3.187 1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 230 19.222 -3.206 6.159 1.00 0.00 H new ATOM 0 HZ PHE A 230 20.330 -2.544 4.040 1.00 0.00 H new ATOM 157 N GLY A 231 13.894 -7.848 3.382 1.00 0.00 N ATOM 158 CA GLY A 231 13.073 -8.935 3.903 1.00 0.00 C ATOM 159 C GLY A 231 13.756 -10.282 3.692 1.00 0.00 C ATOM 160 O GLY A 231 13.780 -11.124 4.590 1.00 0.00 O ATOM 0 H GLY A 231 13.382 -7.151 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 231 12.888 -8.779 4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 231 12.102 -8.933 3.407 1.00 0.00 H new ATOM 164 N SER A 232 14.309 -10.480 2.500 1.00 0.00 N ATOM 165 CA SER A 232 14.989 -11.731 2.183 1.00 0.00 C ATOM 166 C SER A 232 16.035 -12.053 3.243 1.00 0.00 C ATOM 167 O SER A 232 16.329 -13.221 3.505 1.00 0.00 O ATOM 168 CB SER A 232 15.660 -11.628 0.814 1.00 0.00 C ATOM 169 OG SER A 232 15.282 -12.745 0.021 1.00 0.00 O ATOM 0 H SER A 232 14.300 -9.797 1.743 1.00 0.00 H new ATOM 0 HA SER A 232 14.249 -12.531 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 232 15.366 -10.701 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 232 16.744 -11.599 0.928 1.00 0.00 H new ATOM 0 HG SER A 232 15.709 -12.681 -0.859 1.00 0.00 H new ATOM 175 N ILE A 233 16.593 -11.013 3.846 1.00 0.00 N ATOM 176 CA ILE A 233 17.606 -11.190 4.879 1.00 0.00 C ATOM 177 C ILE A 233 16.958 -11.266 6.257 1.00 0.00 C ATOM 178 O ILE A 233 17.176 -12.220 7.006 1.00 0.00 O ATOM 179 CB ILE A 233 18.598 -10.028 4.842 1.00 0.00 C ATOM 180 CG1 ILE A 233 19.475 -10.148 3.592 1.00 0.00 C ATOM 181 CG2 ILE A 233 19.482 -10.068 6.091 1.00 0.00 C ATOM 182 CD1 ILE A 233 19.586 -8.780 2.914 1.00 0.00 C ATOM 0 H ILE A 233 16.363 -10.041 3.640 1.00 0.00 H new ATOM 0 HA ILE A 233 18.135 -12.124 4.687 1.00 0.00 H new ATOM 0 HB ILE A 233 18.052 -9.085 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 233 20.466 -10.513 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 233 19.046 -10.874 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 233 20.189 -9.239 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 233 18.858 -9.983 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 233 20.029 -11.010 6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 233 20.210 -8.864 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 233 18.593 -8.434 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 233 20.035 -8.067 3.605 1.00 0.00 H new ATOM 194 N ILE A 234 16.160 -10.255 6.586 1.00 0.00 N ATOM 195 CA ILE A 234 15.484 -10.216 7.877 1.00 0.00 C ATOM 196 C ILE A 234 14.469 -11.350 7.984 1.00 0.00 C ATOM 197 O ILE A 234 14.552 -12.187 8.883 1.00 0.00 O ATOM 198 CB ILE A 234 14.773 -8.873 8.055 1.00 0.00 C ATOM 199 CG1 ILE A 234 15.665 -7.752 7.518 1.00 0.00 C ATOM 200 CG2 ILE A 234 14.496 -8.635 9.540 1.00 0.00 C ATOM 201 CD1 ILE A 234 15.182 -6.408 8.067 1.00 0.00 C ATOM 0 H ILE A 234 15.967 -9.457 5.981 1.00 0.00 H new ATOM 0 HA ILE A 234 16.231 -10.337 8.661 1.00 0.00 H new ATOM 0 HB ILE A 234 13.831 -8.884 7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 234 16.701 -7.925 7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 234 15.639 -7.742 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 234 13.989 -7.678 9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 234 13.863 -9.435 9.925 1.00 0.00 H new ATOM 0 HG23 ILE A 234 15.438 -8.622 10.088 1.00 0.00 H new ATOM 0 HD11 ILE A 234 15.817 -5.609 7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 234 14.153 -6.235 7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 234 15.231 -6.421 9.156 1.00 0.00 H new ATOM 213 N SER A 235 13.513 -11.370 7.062 1.00 0.00 N ATOM 214 CA SER A 235 12.487 -12.408 7.062 1.00 0.00 C ATOM 215 C SER A 235 13.127 -13.790 7.095 1.00 0.00 C ATOM 216 O SER A 235 12.484 -14.775 7.460 1.00 0.00 O ATOM 217 CB SER A 235 11.612 -12.278 5.817 1.00 0.00 C ATOM 218 OG SER A 235 10.286 -12.685 6.131 1.00 0.00 O ATOM 0 H SER A 235 13.426 -10.686 6.311 1.00 0.00 H new ATOM 0 HA SER A 235 11.870 -12.284 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 235 11.614 -11.247 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 235 12.012 -12.893 5.011 1.00 0.00 H new ATOM 0 HG SER A 235 9.721 -12.601 5.335 1.00 0.00 H new ATOM 224 N ALA A 236 14.397 -13.856 6.711 1.00 0.00 N ATOM 225 CA ALA A 236 15.118 -15.124 6.702 1.00 0.00 C ATOM 226 C ALA A 236 15.814 -15.353 8.039 1.00 0.00 C ATOM 227 O ALA A 236 15.972 -16.490 8.482 1.00 0.00 O ATOM 228 CB ALA A 236 16.157 -15.125 5.577 1.00 0.00 C ATOM 0 H ALA A 236 14.946 -13.053 6.404 1.00 0.00 H new ATOM 0 HA ALA A 236 14.401 -15.928 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 236 16.692 -16.075 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 236 15.656 -14.990 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 236 16.864 -14.311 5.734 1.00 0.00 H new ATOM 234 N VAL A 237 16.229 -14.263 8.677 1.00 0.00 N ATOM 235 CA VAL A 237 16.907 -14.354 9.966 1.00 0.00 C ATOM 236 C VAL A 237 16.204 -15.366 10.867 1.00 0.00 C ATOM 237 O VAL A 237 15.082 -15.786 10.583 1.00 0.00 O ATOM 238 CB VAL A 237 16.938 -12.974 10.631 1.00 0.00 C ATOM 239 CG1 VAL A 237 15.712 -12.793 11.528 1.00 0.00 C ATOM 240 CG2 VAL A 237 18.211 -12.844 11.472 1.00 0.00 C ATOM 0 H VAL A 237 16.109 -13.313 8.326 1.00 0.00 H new ATOM 0 HA VAL A 237 17.930 -14.693 9.807 1.00 0.00 H new ATOM 0 HB VAL A 237 16.927 -12.206 9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 237 15.745 -11.809 11.995 1.00 0.00 H new ATOM 0 HG12 VAL A 237 14.806 -12.880 10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 237 15.710 -13.562 12.301 1.00 0.00 H new ATOM 0 HG21 VAL A 237 18.235 -11.863 11.946 1.00 0.00 H new ATOM 0 HG22 VAL A 237 18.221 -13.618 12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 237 19.084 -12.958 10.830 1.00 0.00 H new ATOM 250 N ASP A 238 16.872 -15.766 11.946 1.00 0.00 N ATOM 251 CA ASP A 238 16.293 -16.740 12.867 1.00 0.00 C ATOM 252 C ASP A 238 15.639 -16.043 14.066 1.00 0.00 C ATOM 253 O ASP A 238 16.059 -14.952 14.454 1.00 0.00 O ATOM 254 CB ASP A 238 17.384 -17.688 13.367 1.00 0.00 C ATOM 255 CG ASP A 238 17.499 -18.893 12.438 1.00 0.00 C ATOM 256 OD1 ASP A 238 17.998 -18.723 11.339 1.00 0.00 O1- ATOM 257 OD2 ASP A 238 17.088 -19.969 12.843 1.00 0.00 O ATOM 0 H ASP A 238 17.803 -15.436 12.202 1.00 0.00 H new ATOM 0 HA ASP A 238 15.528 -17.302 12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 238 18.338 -17.164 13.415 1.00 0.00 H new ATOM 0 HB3 ASP A 238 17.152 -18.020 14.379 1.00 0.00 H new ATOM 262 N PRO A 239 14.632 -16.643 14.667 1.00 0.00 N ATOM 263 CA PRO A 239 13.937 -16.053 15.849 1.00 0.00 C ATOM 264 C PRO A 239 14.906 -15.425 16.846 1.00 0.00 C ATOM 265 O PRO A 239 14.743 -14.272 17.244 1.00 0.00 O ATOM 266 CB PRO A 239 13.228 -17.250 16.478 1.00 0.00 C ATOM 267 CG PRO A 239 12.959 -18.186 15.351 1.00 0.00 C ATOM 268 CD PRO A 239 14.039 -17.943 14.294 1.00 0.00 C ATOM 0 HA PRO A 239 13.266 -15.244 15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 239 13.851 -17.720 17.239 1.00 0.00 H new ATOM 0 HB3 PRO A 239 12.302 -16.946 16.966 1.00 0.00 H new ATOM 0 HG2 PRO A 239 12.983 -19.220 15.695 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.967 -18.012 14.935 1.00 0.00 H new ATOM 0 HD2 PRO A 239 14.786 -18.737 14.299 1.00 0.00 H new ATOM 0 HD3 PRO A 239 13.614 -17.913 13.291 1.00 0.00 H new ATOM 276 N VAL A 240 15.907 -16.196 17.250 1.00 0.00 N ATOM 277 CA VAL A 240 16.896 -15.718 18.211 1.00 0.00 C ATOM 278 C VAL A 240 17.311 -14.288 17.887 1.00 0.00 C ATOM 279 O VAL A 240 17.643 -13.510 18.779 1.00 0.00 O ATOM 280 CB VAL A 240 18.125 -16.625 18.190 1.00 0.00 C ATOM 281 CG1 VAL A 240 19.307 -15.899 18.836 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.826 -17.906 18.971 1.00 0.00 C ATOM 0 H VAL A 240 16.057 -17.153 16.929 1.00 0.00 H new ATOM 0 HA VAL A 240 16.448 -15.737 19.204 1.00 0.00 H new ATOM 0 HB VAL A 240 18.373 -16.877 17.159 1.00 0.00 H new ATOM 0 HG11 VAL A 240 20.184 -16.546 18.821 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.521 -14.986 18.281 1.00 0.00 H new ATOM 0 HG13 VAL A 240 19.060 -15.647 19.867 1.00 0.00 H new ATOM 0 HG21 VAL A 240 18.702 -18.554 18.957 1.00 0.00 H new ATOM 0 HG22 VAL A 240 17.578 -17.654 20.002 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.984 -18.424 18.512 1.00 0.00 H new ATOM 292 N ALA A 241 17.288 -13.953 16.603 1.00 0.00 N ATOM 293 CA ALA A 241 17.664 -12.614 16.169 1.00 0.00 C ATOM 294 C ALA A 241 16.473 -11.670 16.267 1.00 0.00 C ATOM 295 O ALA A 241 16.633 -10.473 16.503 1.00 0.00 O ATOM 296 CB ALA A 241 18.169 -12.659 14.727 1.00 0.00 C ATOM 0 H ALA A 241 17.015 -14.584 15.850 1.00 0.00 H new ATOM 0 HA ALA A 241 18.458 -12.246 16.819 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.449 -11.655 14.408 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.038 -13.314 14.666 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.381 -13.040 14.077 1.00 0.00 H new ATOM 302 N VAL A 242 15.278 -12.220 16.084 1.00 0.00 N ATOM 303 CA VAL A 242 14.060 -11.422 16.156 1.00 0.00 C ATOM 304 C VAL A 242 13.609 -11.271 17.604 1.00 0.00 C ATOM 305 O VAL A 242 12.834 -10.374 17.935 1.00 0.00 O ATOM 306 CB VAL A 242 12.950 -12.087 15.341 1.00 0.00 C ATOM 307 CG1 VAL A 242 11.863 -11.058 15.023 1.00 0.00 C ATOM 308 CG2 VAL A 242 13.535 -12.629 14.034 1.00 0.00 C ATOM 0 H VAL A 242 15.127 -13.209 15.886 1.00 0.00 H new ATOM 0 HA VAL A 242 14.268 -10.434 15.745 1.00 0.00 H new ATOM 0 HB VAL A 242 12.518 -12.906 15.916 1.00 0.00 H new ATOM 0 HG11 VAL A 242 11.072 -11.532 14.442 1.00 0.00 H new ATOM 0 HG12 VAL A 242 11.447 -10.669 15.952 1.00 0.00 H new ATOM 0 HG13 VAL A 242 12.294 -10.239 14.448 1.00 0.00 H new ATOM 0 HG21 VAL A 242 12.746 -13.104 13.451 1.00 0.00 H new ATOM 0 HG22 VAL A 242 13.966 -11.808 13.460 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.310 -13.361 14.259 1.00 0.00 H new ATOM 318 N LEU A 243 14.099 -12.158 18.463 1.00 0.00 N ATOM 319 CA LEU A 243 13.745 -12.123 19.875 1.00 0.00 C ATOM 320 C LEU A 243 14.274 -10.853 20.532 1.00 0.00 C ATOM 321 O LEU A 243 13.513 -10.071 21.101 1.00 0.00 O ATOM 322 CB LEU A 243 14.323 -13.348 20.586 1.00 0.00 C ATOM 323 CG LEU A 243 13.673 -13.498 21.963 1.00 0.00 C ATOM 324 CD1 LEU A 243 12.431 -14.384 21.849 1.00 0.00 C ATOM 325 CD2 LEU A 243 14.671 -14.143 22.928 1.00 0.00 C ATOM 0 H LEU A 243 14.741 -12.908 18.206 1.00 0.00 H new ATOM 0 HA LEU A 243 12.658 -12.132 19.958 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.147 -14.243 19.990 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.403 -13.243 20.692 1.00 0.00 H new ATOM 0 HG LEU A 243 13.385 -12.516 22.337 1.00 0.00 H new ATOM 0 HD11 LEU A 243 11.969 -14.490 22.830 1.00 0.00 H new ATOM 0 HD12 LEU A 243 11.720 -13.927 21.160 1.00 0.00 H new ATOM 0 HD13 LEU A 243 12.718 -15.367 21.475 1.00 0.00 H new ATOM 0 HD21 LEU A 243 14.210 -14.251 23.910 1.00 0.00 H new ATOM 0 HD22 LEU A 243 14.958 -15.125 22.552 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.557 -13.513 23.010 1.00 0.00 H new ATOM 337 N ALA A 244 15.585 -10.654 20.447 1.00 0.00 N ATOM 338 CA ALA A 244 16.209 -9.475 21.036 1.00 0.00 C ATOM 339 C ALA A 244 15.385 -8.227 20.744 1.00 0.00 C ATOM 340 O ALA A 244 15.368 -7.282 21.533 1.00 0.00 O ATOM 341 CB ALA A 244 17.621 -9.301 20.479 1.00 0.00 C ATOM 0 H ALA A 244 16.232 -11.289 19.979 1.00 0.00 H new ATOM 0 HA ALA A 244 16.259 -9.615 22.116 1.00 0.00 H new ATOM 0 HB1 ALA A 244 18.081 -8.418 20.923 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.218 -10.181 20.719 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.573 -9.179 19.397 1.00 0.00 H new ATOM 347 N VAL A 245 14.707 -8.231 19.605 1.00 0.00 N ATOM 348 CA VAL A 245 13.881 -7.094 19.214 1.00 0.00 C ATOM 349 C VAL A 245 12.452 -7.271 19.715 1.00 0.00 C ATOM 350 O VAL A 245 11.943 -6.446 20.472 1.00 0.00 O ATOM 351 CB VAL A 245 13.874 -6.954 17.690 1.00 0.00 C ATOM 352 CG1 VAL A 245 13.913 -5.472 17.313 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.101 -7.660 17.108 1.00 0.00 C ATOM 0 H VAL A 245 14.711 -9.003 18.938 1.00 0.00 H new ATOM 0 HA VAL A 245 14.302 -6.193 19.661 1.00 0.00 H new ATOM 0 HB VAL A 245 12.968 -7.407 17.288 1.00 0.00 H new ATOM 0 HG11 VAL A 245 13.908 -5.372 16.228 1.00 0.00 H new ATOM 0 HG12 VAL A 245 13.040 -4.968 17.728 1.00 0.00 H new ATOM 0 HG13 VAL A 245 14.819 -5.018 17.715 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.097 -7.561 16.023 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.007 -7.206 17.510 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.074 -8.716 17.376 1.00 0.00 H new ATOM 363 N PHE A 246 11.811 -8.353 19.287 1.00 0.00 N ATOM 364 CA PHE A 246 10.440 -8.630 19.698 1.00 0.00 C ATOM 365 C PHE A 246 10.292 -8.484 21.209 1.00 0.00 C ATOM 366 O PHE A 246 9.178 -8.405 21.728 1.00 0.00 O ATOM 367 CB PHE A 246 10.049 -10.048 19.281 1.00 0.00 C ATOM 368 CG PHE A 246 8.985 -10.572 20.216 1.00 0.00 C ATOM 369 CD1 PHE A 246 7.634 -10.337 19.941 1.00 0.00 C ATOM 370 CD2 PHE A 246 9.352 -11.293 21.359 1.00 0.00 C ATOM 371 CE1 PHE A 246 6.647 -10.823 20.808 1.00 0.00 C ATOM 372 CE2 PHE A 246 8.365 -11.779 22.227 1.00 0.00 C ATOM 373 CZ PHE A 246 7.013 -11.543 21.951 1.00 0.00 C ATOM 0 H PHE A 246 12.216 -9.048 18.660 1.00 0.00 H new ATOM 0 HA PHE A 246 9.782 -7.911 19.210 1.00 0.00 H new ATOM 0 HB2 PHE A 246 9.679 -10.048 18.256 1.00 0.00 H new ATOM 0 HB3 PHE A 246 10.922 -10.700 19.305 1.00 0.00 H new ATOM 0 HD1 PHE A 246 7.352 -9.780 19.060 1.00 0.00 H new ATOM 0 HD2 PHE A 246 10.395 -11.474 21.571 1.00 0.00 H new ATOM 0 HE1 PHE A 246 5.604 -10.642 20.595 1.00 0.00 H new ATOM 0 HE2 PHE A 246 8.647 -12.335 23.109 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.252 -11.917 22.620 1.00 0.00 H new ATOM 383 N GLU A 247 11.420 -8.450 21.909 1.00 0.00 N ATOM 384 CA GLU A 247 11.402 -8.314 23.360 1.00 0.00 C ATOM 385 C GLU A 247 11.131 -6.868 23.762 1.00 0.00 C ATOM 386 O GLU A 247 10.513 -6.606 24.794 1.00 0.00 O ATOM 387 CB GLU A 247 12.744 -8.765 23.943 1.00 0.00 C ATOM 388 CG GLU A 247 12.910 -10.271 23.732 1.00 0.00 C ATOM 389 CD GLU A 247 12.661 -11.011 25.042 1.00 0.00 C ATOM 390 OE1 GLU A 247 13.558 -11.028 25.869 1.00 0.00 O ATOM 391 OE2 GLU A 247 11.578 -11.549 25.199 1.00 0.00 O1- ATOM 0 H GLU A 247 12.352 -8.514 21.499 1.00 0.00 H new ATOM 0 HA GLU A 247 10.604 -8.943 23.754 1.00 0.00 H new ATOM 0 HB2 GLU A 247 13.561 -8.227 23.462 1.00 0.00 H new ATOM 0 HB3 GLU A 247 12.789 -8.529 25.006 1.00 0.00 H new ATOM 0 HG2 GLU A 247 12.213 -10.619 22.970 1.00 0.00 H new ATOM 0 HG3 GLU A 247 13.914 -10.487 23.368 1.00 0.00 H new ATOM 398 N GLU A 248 11.595 -5.933 22.940 1.00 0.00 N ATOM 399 CA GLU A 248 11.396 -4.517 23.224 1.00 0.00 C ATOM 400 C GLU A 248 10.105 -4.017 22.583 1.00 0.00 C ATOM 401 O GLU A 248 9.732 -2.857 22.742 1.00 0.00 O ATOM 402 CB GLU A 248 12.586 -3.703 22.701 1.00 0.00 C ATOM 403 CG GLU A 248 12.336 -3.279 21.250 1.00 0.00 C ATOM 404 CD GLU A 248 13.653 -2.888 20.589 1.00 0.00 C ATOM 405 OE1 GLU A 248 14.595 -2.605 21.310 1.00 0.00 O1- ATOM 406 OE2 GLU A 248 13.700 -2.878 19.370 1.00 0.00 O ATOM 0 H GLU A 248 12.107 -6.127 22.079 1.00 0.00 H new ATOM 0 HA GLU A 248 11.321 -4.390 24.304 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.736 -2.822 23.325 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.498 -4.297 22.763 1.00 0.00 H new ATOM 0 HG2 GLU A 248 11.871 -4.096 20.698 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.642 -2.439 21.222 1.00 0.00 H new ATOM 413 N ILE A 249 9.432 -4.899 21.851 1.00 0.00 N ATOM 414 CA ILE A 249 8.187 -4.532 21.188 1.00 0.00 C ATOM 415 C ILE A 249 6.992 -4.821 22.089 1.00 0.00 C ATOM 416 O ILE A 249 6.350 -3.903 22.600 1.00 0.00 O ATOM 417 CB ILE A 249 8.044 -5.311 19.880 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.028 -4.751 18.850 1.00 0.00 C ATOM 419 CG2 ILE A 249 6.616 -5.166 19.353 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.104 -5.697 17.648 1.00 0.00 C ATOM 0 H ILE A 249 9.725 -5.865 21.703 1.00 0.00 H new ATOM 0 HA ILE A 249 8.213 -3.464 20.974 1.00 0.00 H new ATOM 0 HB ILE A 249 8.259 -6.365 20.056 1.00 0.00 H new ATOM 0 HG12 ILE A 249 8.708 -3.760 18.527 1.00 0.00 H new ATOM 0 HG13 ILE A 249 10.015 -4.636 19.299 1.00 0.00 H new ATOM 0 HG21 ILE A 249 6.514 -5.721 18.421 1.00 0.00 H new ATOM 0 HG22 ILE A 249 5.915 -5.560 20.089 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.400 -4.113 19.174 1.00 0.00 H new ATOM 0 HD11 ILE A 249 9.805 -5.298 16.915 1.00 0.00 H new ATOM 0 HD12 ILE A 249 9.444 -6.678 17.978 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.117 -5.789 17.194 1.00 0.00 H new ATOM 432 N HIS A 250 6.695 -6.102 22.280 1.00 0.00 N ATOM 433 CA HIS A 250 5.571 -6.498 23.121 1.00 0.00 C ATOM 434 C HIS A 250 5.660 -5.821 24.487 1.00 0.00 C ATOM 435 O HIS A 250 4.672 -5.746 25.216 1.00 0.00 O ATOM 436 CB HIS A 250 5.561 -8.016 23.300 1.00 0.00 C ATOM 437 CG HIS A 250 6.485 -8.395 24.427 1.00 0.00 C ATOM 438 ND1 HIS A 250 6.046 -9.107 25.532 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.823 -8.170 24.631 1.00 0.00 C ATOM 440 CE1 HIS A 250 7.105 -9.283 26.345 1.00 0.00 C ATOM 441 NE2 HIS A 250 8.212 -8.731 25.843 1.00 0.00 N ATOM 0 H HIS A 250 7.212 -6.878 21.868 1.00 0.00 H new ATOM 0 HA HIS A 250 4.648 -6.186 22.633 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.549 -8.361 23.513 1.00 0.00 H new ATOM 0 HB3 HIS A 250 5.876 -8.504 22.378 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.475 -7.638 23.954 1.00 0.00 H new ATOM 0 HE1 HIS A 250 7.064 -9.807 27.288 1.00 0.00 H new ATOM 0 HE2 HIS A 250 9.143 -8.722 26.259 1.00 0.00 H new ATOM 449 N LYS A 251 6.849 -5.332 24.822 1.00 0.00 N ATOM 450 CA LYS A 251 7.054 -4.664 26.103 1.00 0.00 C ATOM 451 C LYS A 251 6.819 -3.163 25.968 1.00 0.00 C ATOM 452 O LYS A 251 6.595 -2.467 26.959 1.00 0.00 O ATOM 453 CB LYS A 251 8.478 -4.921 26.603 1.00 0.00 C ATOM 454 CG LYS A 251 8.683 -4.230 27.954 1.00 0.00 C ATOM 455 CD LYS A 251 9.510 -2.957 27.761 1.00 0.00 C ATOM 456 CE LYS A 251 10.980 -3.325 27.546 1.00 0.00 C ATOM 457 NZ LYS A 251 11.745 -3.064 28.798 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.679 -5.384 24.231 1.00 0.00 H new ATOM 0 HA LYS A 251 6.340 -5.067 26.822 1.00 0.00 H new ATOM 0 HB2 LYS A 251 8.651 -5.993 26.702 1.00 0.00 H new ATOM 0 HB3 LYS A 251 9.201 -4.547 25.879 1.00 0.00 H new ATOM 0 HG2 LYS A 251 7.718 -3.985 28.398 1.00 0.00 H new ATOM 0 HG3 LYS A 251 9.190 -4.904 28.645 1.00 0.00 H new ATOM 0 HD2 LYS A 251 9.137 -2.395 26.905 1.00 0.00 H new ATOM 0 HD3 LYS A 251 9.411 -2.311 28.633 1.00 0.00 H new ATOM 0 HE2 LYS A 251 11.066 -4.375 27.267 1.00 0.00 H new ATOM 0 HE3 LYS A 251 11.396 -2.741 26.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 12.744 -3.314 28.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 11.672 -2.056 29.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 11.353 -3.639 29.571 1.00 0.00 H new ATOM 471 N LYS A 252 6.875 -2.672 24.736 1.00 0.00 N ATOM 472 CA LYS A 252 6.670 -1.252 24.478 1.00 0.00 C ATOM 473 C LYS A 252 5.261 -1.000 23.951 1.00 0.00 C ATOM 474 O LYS A 252 4.559 -0.108 24.428 1.00 0.00 O ATOM 475 CB LYS A 252 7.698 -0.757 23.458 1.00 0.00 C ATOM 476 CG LYS A 252 7.618 0.765 23.334 1.00 0.00 C ATOM 477 CD LYS A 252 8.887 1.390 23.914 1.00 0.00 C ATOM 478 CE LYS A 252 8.816 2.911 23.782 1.00 0.00 C ATOM 479 NZ LYS A 252 8.814 3.287 22.341 1.00 0.00 N1+ ATOM 0 H LYS A 252 7.060 -3.232 23.904 1.00 0.00 H new ATOM 0 HA LYS A 252 6.795 -0.708 25.414 1.00 0.00 H new ATOM 0 HB2 LYS A 252 8.701 -1.053 23.766 1.00 0.00 H new ATOM 0 HB3 LYS A 252 7.513 -1.220 22.489 1.00 0.00 H new ATOM 0 HG2 LYS A 252 7.505 1.050 22.288 1.00 0.00 H new ATOM 0 HG3 LYS A 252 6.741 1.138 23.863 1.00 0.00 H new ATOM 0 HD2 LYS A 252 8.996 1.111 24.962 1.00 0.00 H new ATOM 0 HD3 LYS A 252 9.764 1.010 23.390 1.00 0.00 H new ATOM 0 HE2 LYS A 252 7.915 3.287 24.268 1.00 0.00 H new ATOM 0 HE3 LYS A 252 9.666 3.370 24.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 9.104 4.281 22.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 9.479 2.679 21.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 7.858 3.164 21.952 1.00 0.00 H new ATOM 493 N LYS A 253 4.854 -1.792 22.968 1.00 0.00 N ATOM 494 CA LYS A 253 3.527 -1.649 22.381 1.00 0.00 C ATOM 495 C LYS A 253 2.450 -1.780 23.456 1.00 0.00 C ATOM 496 O LYS A 253 2.068 -0.791 24.082 1.00 0.00 O ATOM 497 CB LYS A 253 3.311 -2.716 21.307 1.00 0.00 C ATOM 498 CG LYS A 253 3.827 -2.198 19.963 1.00 0.00 C ATOM 499 CD LYS A 253 2.726 -1.399 19.265 1.00 0.00 C ATOM 500 CE LYS A 253 1.889 -2.336 18.394 1.00 0.00 C ATOM 501 NZ LYS A 253 2.700 -2.789 17.228 1.00 0.00 N1+ ATOM 0 H LYS A 253 5.420 -2.537 22.561 1.00 0.00 H new ATOM 0 HA LYS A 253 3.456 -0.660 21.928 1.00 0.00 H new ATOM 0 HB2 LYS A 253 3.833 -3.633 21.580 1.00 0.00 H new ATOM 0 HB3 LYS A 253 2.252 -2.962 21.232 1.00 0.00 H new ATOM 0 HG2 LYS A 253 4.705 -1.570 20.116 1.00 0.00 H new ATOM 0 HG3 LYS A 253 4.138 -3.033 19.335 1.00 0.00 H new ATOM 0 HD2 LYS A 253 2.092 -0.910 20.005 1.00 0.00 H new ATOM 0 HD3 LYS A 253 3.166 -0.612 18.652 1.00 0.00 H new ATOM 0 HE2 LYS A 253 1.561 -3.196 18.978 1.00 0.00 H new ATOM 0 HE3 LYS A 253 0.991 -1.823 18.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 2.073 -2.971 16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 3.387 -2.050 16.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 3.207 -3.662 17.476 1.00 0.00 H new HETATM 515 N NH2 A 254 1.934 -2.952 23.706 1.00 0.00 N TER 518 NH2 A 254