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+ -157:sc= -1.05 (180deg=-1.67) USER MOD Single : A 224 LYS NZ :NH3+ -153:sc= -0.0581 (180deg=-0.389) USER MOD Single : A 225 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 227 ASN : amide:sc= -0.144! K(o=-0.14!,f=-1.6) USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 SER OG : rot -78:sc= 0.975 USER MOD Single : A 250 HIS : no HD1:sc= -0.627 K(o=-0.63,f=-0.048) USER MOD Single : A 251 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0298) USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 14.297 9.448 9.345 1.00 0.00 C HETATM 2 O ACE A 222 13.342 8.976 9.963 1.00 0.00 O HETATM 3 CH3 ACE A 222 15.188 10.511 9.980 1.00 0.00 C HETATM 0 H1 ACE A 222 16.213 10.143 10.032 1.00 0.00 H new HETATM 0 H2 ACE A 222 15.158 11.418 9.377 1.00 0.00 H new HETATM 0 H3 ACE A 222 14.830 10.732 10.986 1.00 0.00 H new ATOM 7 N LYS A 223 14.615 9.076 8.110 1.00 0.00 N ATOM 8 CA LYS A 223 13.836 8.068 7.402 1.00 0.00 C ATOM 9 C LYS A 223 14.044 6.692 8.028 1.00 0.00 C ATOM 10 O LYS A 223 14.766 5.855 7.487 1.00 0.00 O ATOM 11 CB LYS A 223 14.250 8.027 5.929 1.00 0.00 C ATOM 12 CG LYS A 223 14.425 9.455 5.409 1.00 0.00 C ATOM 13 CD LYS A 223 14.389 9.449 3.879 1.00 0.00 C ATOM 14 CE LYS A 223 15.442 8.478 3.347 1.00 0.00 C ATOM 15 NZ LYS A 223 16.715 8.661 4.101 1.00 0.00 N1+ ATOM 0 H LYS A 223 15.401 9.454 7.582 1.00 0.00 H new ATOM 0 HA LYS A 223 12.781 8.333 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 223 15.181 7.471 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 223 13.494 7.505 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 223 13.634 10.095 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 223 15.371 9.868 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 223 13.399 9.156 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 223 14.578 10.452 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 223 15.090 7.451 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 223 15.609 8.652 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 17.511 8.318 3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 16.850 9.670 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 16.673 8.122 4.990 1.00 0.00 H new ATOM 29 N LYS A 224 13.406 6.466 9.172 1.00 0.00 N ATOM 30 CA LYS A 224 13.529 5.188 9.864 1.00 0.00 C ATOM 31 C LYS A 224 12.174 4.740 10.406 1.00 0.00 C ATOM 32 O LYS A 224 11.179 5.455 10.285 1.00 0.00 O ATOM 33 CB LYS A 224 14.527 5.311 11.017 1.00 0.00 C ATOM 34 CG LYS A 224 15.950 5.349 10.459 1.00 0.00 C ATOM 35 CD LYS A 224 16.935 5.646 11.590 1.00 0.00 C ATOM 36 CE LYS A 224 18.208 4.822 11.391 1.00 0.00 C ATOM 37 NZ LYS A 224 17.913 3.385 11.656 1.00 0.00 N1+ ATOM 0 H LYS A 224 12.803 7.145 9.636 1.00 0.00 H new ATOM 0 HA LYS A 224 13.888 4.444 9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 224 14.326 6.216 11.591 1.00 0.00 H new ATOM 0 HB3 LYS A 224 14.415 4.469 11.700 1.00 0.00 H new ATOM 0 HG2 LYS A 224 16.194 4.395 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 224 16.028 6.113 9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 224 17.176 6.709 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 224 16.482 5.408 12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 224 18.580 4.947 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 224 18.991 5.174 12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 18.780 2.905 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 17.187 3.311 12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 17.566 2.935 10.785 1.00 0.00 H new ATOM 51 N LYS A 225 12.145 3.553 11.003 1.00 0.00 N ATOM 52 CA LYS A 225 10.908 3.020 11.561 1.00 0.00 C ATOM 53 C LYS A 225 9.849 2.874 10.473 1.00 0.00 C ATOM 54 O LYS A 225 8.650 2.883 10.753 1.00 0.00 O ATOM 55 CB LYS A 225 10.387 3.948 12.660 1.00 0.00 C ATOM 56 CG LYS A 225 11.557 4.423 13.524 1.00 0.00 C ATOM 57 CD LYS A 225 11.040 4.828 14.905 1.00 0.00 C ATOM 58 CE LYS A 225 12.064 5.736 15.590 1.00 0.00 C ATOM 59 NZ LYS A 225 11.770 5.808 17.048 1.00 0.00 N1+ ATOM 0 H LYS A 225 12.957 2.946 11.112 1.00 0.00 H new ATOM 0 HA LYS A 225 11.117 2.038 11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 225 9.877 4.804 12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 225 9.655 3.425 13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 225 12.298 3.629 13.620 1.00 0.00 H new ATOM 0 HG3 LYS A 225 12.055 5.268 13.048 1.00 0.00 H new ATOM 0 HD2 LYS A 225 10.086 5.346 14.810 1.00 0.00 H new ATOM 0 HD3 LYS A 225 10.862 3.941 15.512 1.00 0.00 H new ATOM 0 HE2 LYS A 225 13.071 5.351 15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 225 12.031 6.734 15.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 12.466 6.425 17.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 10.815 6.194 17.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 11.823 4.855 17.460 1.00 0.00 H new ATOM 73 N ASP A 226 10.300 2.739 9.229 1.00 0.00 N ATOM 74 CA ASP A 226 9.381 2.592 8.105 1.00 0.00 C ATOM 75 C ASP A 226 9.910 1.562 7.112 1.00 0.00 C ATOM 76 O ASP A 226 9.811 0.356 7.340 1.00 0.00 O ATOM 77 CB ASP A 226 9.197 3.938 7.403 1.00 0.00 C ATOM 78 CG ASP A 226 8.286 4.837 8.231 1.00 0.00 C ATOM 79 OD1 ASP A 226 7.079 4.726 8.080 1.00 0.00 O ATOM 80 OD2 ASP A 226 8.806 5.622 9.006 1.00 0.00 O1- ATOM 0 H ASP A 226 11.288 2.728 8.975 1.00 0.00 H new ATOM 0 HA ASP A 226 8.419 2.249 8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 226 10.165 4.419 7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 226 8.769 3.785 6.412 1.00 0.00 H new ATOM 85 N ASN A 227 10.473 2.046 6.010 1.00 0.00 N ATOM 86 CA ASN A 227 11.013 1.158 4.987 1.00 0.00 C ATOM 87 C ASN A 227 12.233 0.409 5.518 1.00 0.00 C ATOM 88 O ASN A 227 13.362 0.885 5.408 1.00 0.00 O ATOM 89 CB ASN A 227 11.409 1.965 3.749 1.00 0.00 C ATOM 90 CG ASN A 227 12.120 3.248 4.168 1.00 0.00 C ATOM 91 OD1 ASN A 227 11.531 4.328 4.122 1.00 0.00 O ATOM 92 ND2 ASN A 227 13.359 3.192 4.573 1.00 0.00 N ATOM 0 H ASN A 227 10.567 3.040 5.803 1.00 0.00 H new ATOM 0 HA ASN A 227 10.243 0.435 4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 227 12.062 1.370 3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 227 10.522 2.206 3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 227 13.843 4.045 4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 227 13.844 2.295 4.610 1.00 0.00 H new ATOM 99 N LEU A 228 11.994 -0.765 6.093 1.00 0.00 N ATOM 100 CA LEU A 228 13.080 -1.572 6.637 1.00 0.00 C ATOM 101 C LEU A 228 13.446 -2.697 5.674 1.00 0.00 C ATOM 102 O LEU A 228 13.308 -3.876 6.001 1.00 0.00 O ATOM 103 CB LEU A 228 12.667 -2.164 7.985 1.00 0.00 C ATOM 104 CG LEU A 228 12.839 -1.111 9.080 1.00 0.00 C ATOM 105 CD1 LEU A 228 11.819 -1.361 10.193 1.00 0.00 C ATOM 106 CD2 LEU A 228 14.254 -1.202 9.655 1.00 0.00 C ATOM 0 H LEU A 228 11.066 -1.176 6.194 1.00 0.00 H new ATOM 0 HA LEU A 228 13.950 -0.930 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 228 11.630 -2.496 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 228 13.274 -3.041 8.210 1.00 0.00 H new ATOM 0 HG LEU A 228 12.680 -0.118 8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 228 11.941 -0.610 10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 228 10.811 -1.298 9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 228 11.977 -2.353 10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 228 14.378 -0.452 10.436 1.00 0.00 H new ATOM 0 HD22 LEU A 228 14.412 -2.195 10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 228 14.981 -1.025 8.862 1.00 0.00 H new ATOM 118 N LEU A 229 13.910 -2.326 4.485 1.00 0.00 N ATOM 119 CA LEU A 229 14.291 -3.314 3.483 1.00 0.00 C ATOM 120 C LEU A 229 15.074 -4.455 4.124 1.00 0.00 C ATOM 121 O LEU A 229 15.165 -5.549 3.566 1.00 0.00 O ATOM 122 CB LEU A 229 15.146 -2.655 2.397 1.00 0.00 C ATOM 123 CG LEU A 229 14.595 -1.262 2.085 1.00 0.00 C ATOM 124 CD1 LEU A 229 15.397 -0.210 2.855 1.00 0.00 C ATOM 125 CD2 LEU A 229 14.715 -0.992 0.584 1.00 0.00 C ATOM 0 H LEU A 229 14.031 -1.356 4.194 1.00 0.00 H new ATOM 0 HA LEU A 229 13.382 -3.718 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 229 16.181 -2.581 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 229 15.144 -3.268 1.496 1.00 0.00 H new ATOM 0 HG LEU A 229 13.548 -1.211 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 229 15.004 0.782 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 229 15.315 -0.401 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 229 16.444 -0.261 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 229 14.323 0.000 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 229 15.763 -1.043 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 229 14.145 -1.740 0.033 1.00 0.00 H new ATOM 137 N PHE A 230 15.637 -4.192 5.299 1.00 0.00 N ATOM 138 CA PHE A 230 16.411 -5.204 6.007 1.00 0.00 C ATOM 139 C PHE A 230 15.494 -6.101 6.834 1.00 0.00 C ATOM 140 O PHE A 230 15.716 -7.308 6.938 1.00 0.00 O ATOM 141 CB PHE A 230 17.434 -4.532 6.924 1.00 0.00 C ATOM 142 CG PHE A 230 18.669 -4.181 6.127 1.00 0.00 C ATOM 143 CD1 PHE A 230 18.588 -3.245 5.090 1.00 0.00 C ATOM 144 CD2 PHE A 230 19.894 -4.792 6.424 1.00 0.00 C ATOM 145 CE1 PHE A 230 19.730 -2.918 4.350 1.00 0.00 C ATOM 146 CE2 PHE A 230 21.036 -4.465 5.685 1.00 0.00 C ATOM 147 CZ PHE A 230 20.956 -3.529 4.647 1.00 0.00 C ATOM 0 H PHE A 230 15.572 -3.294 5.778 1.00 0.00 H new ATOM 0 HA PHE A 230 16.931 -5.817 5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 230 17.006 -3.633 7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 230 17.695 -5.199 7.746 1.00 0.00 H new ATOM 0 HD1 PHE A 230 17.643 -2.774 4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 230 19.957 -5.515 7.223 1.00 0.00 H new ATOM 0 HE1 PHE A 230 19.667 -2.195 3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 230 21.981 -4.935 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 230 21.838 -3.278 4.076 1.00 0.00 H new ATOM 157 N GLY A 231 14.466 -5.502 7.423 1.00 0.00 N ATOM 158 CA GLY A 231 13.522 -6.255 8.240 1.00 0.00 C ATOM 159 C GLY A 231 13.104 -7.545 7.544 1.00 0.00 C ATOM 160 O GLY A 231 13.056 -8.609 8.163 1.00 0.00 O ATOM 0 H GLY A 231 14.265 -4.504 7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 231 13.975 -6.488 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 231 12.642 -5.644 8.441 1.00 0.00 H new ATOM 164 N SER A 232 12.803 -7.445 6.254 1.00 0.00 N ATOM 165 CA SER A 232 12.391 -8.614 5.483 1.00 0.00 C ATOM 166 C SER A 232 13.460 -9.698 5.539 1.00 0.00 C ATOM 167 O SER A 232 13.158 -10.887 5.449 1.00 0.00 O ATOM 168 CB SER A 232 12.138 -8.216 4.029 1.00 0.00 C ATOM 169 OG SER A 232 11.050 -8.975 3.517 1.00 0.00 O ATOM 0 H SER A 232 12.836 -6.575 5.723 1.00 0.00 H new ATOM 0 HA SER A 232 11.472 -9.007 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 232 11.916 -7.151 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 232 13.032 -8.391 3.431 1.00 0.00 H new ATOM 0 HG SER A 232 10.884 -8.721 2.585 1.00 0.00 H new ATOM 175 N ILE A 233 14.709 -9.276 5.686 1.00 0.00 N ATOM 176 CA ILE A 233 15.821 -10.215 5.753 1.00 0.00 C ATOM 177 C ILE A 233 16.102 -10.610 7.199 1.00 0.00 C ATOM 178 O ILE A 233 16.121 -11.793 7.537 1.00 0.00 O ATOM 179 CB ILE A 233 17.072 -9.586 5.139 1.00 0.00 C ATOM 180 CG1 ILE A 233 16.902 -9.495 3.620 1.00 0.00 C ATOM 181 CG2 ILE A 233 18.292 -10.448 5.466 1.00 0.00 C ATOM 182 CD1 ILE A 233 17.348 -8.114 3.138 1.00 0.00 C ATOM 0 H ILE A 233 14.977 -8.295 5.761 1.00 0.00 H new ATOM 0 HA ILE A 233 15.552 -11.110 5.191 1.00 0.00 H new ATOM 0 HB ILE A 233 17.215 -8.587 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 233 17.491 -10.270 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 233 15.860 -9.667 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 233 19.183 -9.999 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 233 18.413 -10.513 6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 233 18.151 -11.448 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 233 17.227 -8.049 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 233 16.740 -7.347 3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 233 18.396 -7.960 3.396 1.00 0.00 H new ATOM 194 N ILE A 234 16.322 -9.609 8.046 1.00 0.00 N ATOM 195 CA ILE A 234 16.602 -9.863 9.455 1.00 0.00 C ATOM 196 C ILE A 234 15.377 -10.447 10.149 1.00 0.00 C ATOM 197 O ILE A 234 15.402 -11.583 10.621 1.00 0.00 O ATOM 198 CB ILE A 234 17.011 -8.562 10.147 1.00 0.00 C ATOM 199 CG1 ILE A 234 18.044 -7.831 9.287 1.00 0.00 C ATOM 200 CG2 ILE A 234 17.621 -8.881 11.513 1.00 0.00 C ATOM 201 CD1 ILE A 234 18.634 -6.661 10.077 1.00 0.00 C ATOM 0 H ILE A 234 16.312 -8.623 7.785 1.00 0.00 H new ATOM 0 HA ILE A 234 17.418 -10.582 9.520 1.00 0.00 H new ATOM 0 HB ILE A 234 16.133 -7.929 10.279 1.00 0.00 H new ATOM 0 HG12 ILE A 234 18.836 -8.518 8.989 1.00 0.00 H new ATOM 0 HG13 ILE A 234 17.578 -7.467 8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 234 17.913 -7.954 12.007 1.00 0.00 H new ATOM 0 HG22 ILE A 234 16.887 -9.403 12.126 1.00 0.00 H new ATOM 0 HG23 ILE A 234 18.499 -9.513 11.381 1.00 0.00 H new ATOM 0 HD11 ILE A 234 19.370 -6.141 9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 234 17.838 -5.969 10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 234 19.116 -7.037 10.979 1.00 0.00 H new ATOM 213 N SER A 235 14.305 -9.662 10.207 1.00 0.00 N ATOM 214 CA SER A 235 13.075 -10.114 10.848 1.00 0.00 C ATOM 215 C SER A 235 12.707 -11.515 10.370 1.00 0.00 C ATOM 216 O SER A 235 11.918 -12.213 11.008 1.00 0.00 O ATOM 217 CB SER A 235 11.935 -9.146 10.529 1.00 0.00 C ATOM 218 OG SER A 235 11.253 -9.591 9.364 1.00 0.00 O ATOM 0 H SER A 235 14.263 -8.719 9.822 1.00 0.00 H new ATOM 0 HA SER A 235 13.236 -10.141 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 235 11.244 -9.090 11.370 1.00 0.00 H new ATOM 0 HB3 SER A 235 12.328 -8.142 10.373 1.00 0.00 H new ATOM 0 HG SER A 235 11.771 -9.347 8.569 1.00 0.00 H new ATOM 224 N ALA A 236 13.282 -11.919 9.244 1.00 0.00 N ATOM 225 CA ALA A 236 13.009 -13.239 8.686 1.00 0.00 C ATOM 226 C ALA A 236 14.019 -14.259 9.203 1.00 0.00 C ATOM 227 O ALA A 236 13.705 -15.441 9.346 1.00 0.00 O ATOM 228 CB ALA A 236 13.074 -13.184 7.159 1.00 0.00 C ATOM 0 H ALA A 236 13.937 -11.356 8.701 1.00 0.00 H new ATOM 0 HA ALA A 236 12.010 -13.544 8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 236 12.869 -14.173 6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 236 12.331 -12.477 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 236 14.068 -12.862 6.849 1.00 0.00 H new ATOM 234 N VAL A 237 15.233 -13.794 9.482 1.00 0.00 N ATOM 235 CA VAL A 237 16.283 -14.674 9.980 1.00 0.00 C ATOM 236 C VAL A 237 15.816 -15.403 11.243 1.00 0.00 C ATOM 237 O VAL A 237 14.759 -15.093 11.792 1.00 0.00 O ATOM 238 CB VAL A 237 17.553 -13.857 10.259 1.00 0.00 C ATOM 239 CG1 VAL A 237 17.648 -13.499 11.744 1.00 0.00 C ATOM 240 CG2 VAL A 237 18.785 -14.672 9.855 1.00 0.00 C ATOM 0 H VAL A 237 15.512 -12.819 9.372 1.00 0.00 H new ATOM 0 HA VAL A 237 16.509 -15.425 9.223 1.00 0.00 H new ATOM 0 HB VAL A 237 17.509 -12.936 9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 237 18.554 -12.920 11.921 1.00 0.00 H new ATOM 0 HG12 VAL A 237 16.778 -12.909 12.032 1.00 0.00 H new ATOM 0 HG13 VAL A 237 17.679 -14.413 12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 237 19.686 -14.092 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 237 18.815 -15.597 10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 237 18.732 -14.909 8.792 1.00 0.00 H new ATOM 250 N ASP A 238 16.605 -16.376 11.689 1.00 0.00 N ATOM 251 CA ASP A 238 16.258 -17.146 12.878 1.00 0.00 C ATOM 252 C ASP A 238 15.681 -16.230 13.973 1.00 0.00 C ATOM 253 O ASP A 238 16.320 -15.248 14.347 1.00 0.00 O ATOM 254 CB ASP A 238 17.503 -17.854 13.416 1.00 0.00 C ATOM 255 CG ASP A 238 17.095 -18.941 14.405 1.00 0.00 C ATOM 256 OD1 ASP A 238 16.711 -20.010 13.958 1.00 0.00 O1- ATOM 257 OD2 ASP A 238 17.166 -18.687 15.597 1.00 0.00 O ATOM 0 H ASP A 238 17.483 -16.648 11.248 1.00 0.00 H new ATOM 0 HA ASP A 238 15.503 -17.882 12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 238 18.067 -18.292 12.593 1.00 0.00 H new ATOM 0 HB3 ASP A 238 18.159 -17.134 13.904 1.00 0.00 H new ATOM 262 N PRO A 239 14.503 -16.518 14.503 1.00 0.00 N ATOM 263 CA PRO A 239 13.887 -15.677 15.572 1.00 0.00 C ATOM 264 C PRO A 239 14.899 -15.223 16.621 1.00 0.00 C ATOM 265 O PRO A 239 14.832 -14.098 17.111 1.00 0.00 O ATOM 266 CB PRO A 239 12.843 -16.601 16.192 1.00 0.00 C ATOM 267 CG PRO A 239 12.424 -17.510 15.089 1.00 0.00 C ATOM 268 CD PRO A 239 13.626 -17.656 14.154 1.00 0.00 C ATOM 0 HA PRO A 239 13.472 -14.752 15.171 1.00 0.00 H new ATOM 0 HB2 PRO A 239 13.260 -17.162 17.028 1.00 0.00 H new ATOM 0 HB3 PRO A 239 11.996 -16.035 16.579 1.00 0.00 H new ATOM 0 HG2 PRO A 239 12.120 -18.480 15.482 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.567 -17.100 14.555 1.00 0.00 H new ATOM 0 HD2 PRO A 239 14.133 -18.609 14.304 1.00 0.00 H new ATOM 0 HD3 PRO A 239 13.323 -17.618 13.108 1.00 0.00 H new ATOM 276 N VAL A 240 15.829 -16.106 16.964 1.00 0.00 N ATOM 277 CA VAL A 240 16.845 -15.781 17.962 1.00 0.00 C ATOM 278 C VAL A 240 17.380 -14.373 17.737 1.00 0.00 C ATOM 279 O VAL A 240 17.768 -13.685 18.681 1.00 0.00 O ATOM 280 CB VAL A 240 17.999 -16.779 17.881 1.00 0.00 C ATOM 281 CG1 VAL A 240 19.243 -16.173 18.536 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.616 -18.067 18.610 1.00 0.00 C ATOM 0 H VAL A 240 15.902 -17.044 16.571 1.00 0.00 H new ATOM 0 HA VAL A 240 16.386 -15.836 18.949 1.00 0.00 H new ATOM 0 HB VAL A 240 18.210 -17.004 16.836 1.00 0.00 H new ATOM 0 HG11 VAL A 240 20.067 -16.884 18.479 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.518 -15.256 18.015 1.00 0.00 H new ATOM 0 HG13 VAL A 240 19.030 -15.947 19.581 1.00 0.00 H new ATOM 0 HG21 VAL A 240 18.441 -18.777 18.551 1.00 0.00 H new ATOM 0 HG22 VAL A 240 17.403 -17.844 19.656 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.731 -18.499 18.144 1.00 0.00 H new ATOM 292 N ALA A 241 17.397 -13.955 16.479 1.00 0.00 N ATOM 293 CA ALA A 241 17.890 -12.629 16.129 1.00 0.00 C ATOM 294 C ALA A 241 16.783 -11.591 16.278 1.00 0.00 C ATOM 295 O ALA A 241 17.049 -10.423 16.565 1.00 0.00 O ATOM 296 CB ALA A 241 18.398 -12.635 14.688 1.00 0.00 C ATOM 0 H ALA A 241 17.077 -14.512 15.686 1.00 0.00 H new ATOM 0 HA ALA A 241 18.706 -12.369 16.804 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.766 -11.643 14.428 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.207 -13.359 14.590 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.584 -12.907 14.016 1.00 0.00 H new ATOM 302 N VAL A 242 15.545 -12.027 16.084 1.00 0.00 N ATOM 303 CA VAL A 242 14.401 -11.130 16.200 1.00 0.00 C ATOM 304 C VAL A 242 13.938 -11.039 17.649 1.00 0.00 C ATOM 305 O VAL A 242 13.237 -10.102 18.030 1.00 0.00 O ATOM 306 CB VAL A 242 13.254 -11.638 15.328 1.00 0.00 C ATOM 307 CG1 VAL A 242 12.203 -10.537 15.173 1.00 0.00 C ATOM 308 CG2 VAL A 242 13.797 -12.026 13.951 1.00 0.00 C ATOM 0 H VAL A 242 15.307 -12.990 15.847 1.00 0.00 H new ATOM 0 HA VAL A 242 14.703 -10.138 15.864 1.00 0.00 H new ATOM 0 HB VAL A 242 12.797 -12.509 15.798 1.00 0.00 H new ATOM 0 HG11 VAL A 242 11.385 -10.900 14.551 1.00 0.00 H new ATOM 0 HG12 VAL A 242 11.818 -10.261 16.155 1.00 0.00 H new ATOM 0 HG13 VAL A 242 12.657 -9.664 14.703 1.00 0.00 H new ATOM 0 HG21 VAL A 242 12.980 -12.389 13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 242 14.253 -11.155 13.481 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.545 -12.811 14.063 1.00 0.00 H new ATOM 318 N LEU A 243 14.333 -12.022 18.449 1.00 0.00 N ATOM 319 CA LEU A 243 13.954 -12.052 19.857 1.00 0.00 C ATOM 320 C LEU A 243 14.428 -10.788 20.569 1.00 0.00 C ATOM 321 O LEU A 243 13.623 -10.033 21.115 1.00 0.00 O ATOM 322 CB LEU A 243 14.567 -13.281 20.531 1.00 0.00 C ATOM 323 CG LEU A 243 13.856 -13.546 21.859 1.00 0.00 C ATOM 324 CD1 LEU A 243 12.674 -14.491 21.628 1.00 0.00 C ATOM 325 CD2 LEU A 243 14.837 -14.191 22.841 1.00 0.00 C ATOM 0 H LEU A 243 14.913 -12.806 18.149 1.00 0.00 H new ATOM 0 HA LEU A 243 12.867 -12.103 19.922 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.476 -14.149 19.879 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.632 -13.121 20.702 1.00 0.00 H new ATOM 0 HG LEU A 243 13.493 -12.604 22.270 1.00 0.00 H new ATOM 0 HD11 LEU A 243 12.168 -14.679 22.575 1.00 0.00 H new ATOM 0 HD12 LEU A 243 11.975 -14.035 20.927 1.00 0.00 H new ATOM 0 HD13 LEU A 243 13.036 -15.433 21.217 1.00 0.00 H new ATOM 0 HD21 LEU A 243 14.332 -14.381 23.788 1.00 0.00 H new ATOM 0 HD22 LEU A 243 15.199 -15.133 22.428 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.680 -13.520 23.007 1.00 0.00 H new ATOM 337 N ALA A 244 15.737 -10.567 20.561 1.00 0.00 N ATOM 338 CA ALA A 244 16.310 -9.394 21.212 1.00 0.00 C ATOM 339 C ALA A 244 15.459 -8.157 20.945 1.00 0.00 C ATOM 340 O ALA A 244 15.410 -7.237 21.761 1.00 0.00 O ATOM 341 CB ALA A 244 17.731 -9.159 20.701 1.00 0.00 C ATOM 0 H ALA A 244 16.419 -11.180 20.114 1.00 0.00 H new ATOM 0 HA ALA A 244 16.334 -9.575 22.287 1.00 0.00 H new ATOM 0 HB1 ALA A 244 18.153 -8.282 21.191 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.347 -10.031 20.924 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.708 -8.997 19.623 1.00 0.00 H new ATOM 347 N VAL A 245 14.794 -8.141 19.796 1.00 0.00 N ATOM 348 CA VAL A 245 13.948 -7.012 19.430 1.00 0.00 C ATOM 349 C VAL A 245 12.515 -7.239 19.903 1.00 0.00 C ATOM 350 O VAL A 245 11.984 -6.460 20.693 1.00 0.00 O ATOM 351 CB VAL A 245 13.959 -6.820 17.912 1.00 0.00 C ATOM 352 CG1 VAL A 245 13.847 -5.330 17.585 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.268 -7.370 17.339 1.00 0.00 C ATOM 0 H VAL A 245 14.824 -8.892 19.106 1.00 0.00 H new ATOM 0 HA VAL A 245 14.342 -6.118 19.913 1.00 0.00 H new ATOM 0 HB VAL A 245 13.116 -7.353 17.472 1.00 0.00 H new ATOM 0 HG11 VAL A 245 13.855 -5.193 16.504 1.00 0.00 H new ATOM 0 HG12 VAL A 245 12.916 -4.937 17.994 1.00 0.00 H new ATOM 0 HG13 VAL A 245 14.690 -4.797 18.024 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.277 -7.234 16.258 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.110 -6.836 17.779 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.349 -8.432 17.572 1.00 0.00 H new ATOM 363 N PHE A 246 11.898 -8.307 19.414 1.00 0.00 N ATOM 364 CA PHE A 246 10.529 -8.624 19.796 1.00 0.00 C ATOM 365 C PHE A 246 10.361 -8.542 21.309 1.00 0.00 C ATOM 366 O PHE A 246 9.241 -8.477 21.818 1.00 0.00 O ATOM 367 CB PHE A 246 10.161 -10.029 19.322 1.00 0.00 C ATOM 368 CG PHE A 246 9.137 -10.614 20.261 1.00 0.00 C ATOM 369 CD1 PHE A 246 9.552 -11.315 21.400 1.00 0.00 C ATOM 370 CD2 PHE A 246 7.772 -10.449 19.999 1.00 0.00 C ATOM 371 CE1 PHE A 246 8.601 -11.852 22.276 1.00 0.00 C ATOM 372 CE2 PHE A 246 6.821 -10.987 20.875 1.00 0.00 C ATOM 373 CZ PHE A 246 7.236 -11.688 22.014 1.00 0.00 C ATOM 0 H PHE A 246 12.320 -8.963 18.757 1.00 0.00 H new ATOM 0 HA PHE A 246 9.868 -7.897 19.325 1.00 0.00 H new ATOM 0 HB2 PHE A 246 9.763 -9.992 18.308 1.00 0.00 H new ATOM 0 HB3 PHE A 246 11.049 -10.661 19.293 1.00 0.00 H new ATOM 0 HD1 PHE A 246 10.605 -11.441 21.603 1.00 0.00 H new ATOM 0 HD2 PHE A 246 7.452 -9.907 19.121 1.00 0.00 H new ATOM 0 HE1 PHE A 246 8.921 -12.393 23.154 1.00 0.00 H new ATOM 0 HE2 PHE A 246 5.768 -10.861 20.672 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.503 -12.102 22.690 1.00 0.00 H new ATOM 383 N GLU A 247 11.480 -8.548 22.023 1.00 0.00 N ATOM 384 CA GLU A 247 11.446 -8.478 23.479 1.00 0.00 C ATOM 385 C GLU A 247 11.084 -7.071 23.944 1.00 0.00 C ATOM 386 O GLU A 247 10.455 -6.897 24.988 1.00 0.00 O ATOM 387 CB GLU A 247 12.807 -8.874 24.051 1.00 0.00 C ATOM 388 CG GLU A 247 13.070 -10.350 23.757 1.00 0.00 C ATOM 389 CD GLU A 247 12.902 -11.173 25.029 1.00 0.00 C ATOM 390 OE1 GLU A 247 13.774 -11.102 25.877 1.00 0.00 O ATOM 391 OE2 GLU A 247 11.898 -11.860 25.138 1.00 0.00 O1- ATOM 0 H GLU A 247 12.416 -8.600 21.621 1.00 0.00 H new ATOM 0 HA GLU A 247 10.685 -9.170 23.839 1.00 0.00 H new ATOM 0 HB2 GLU A 247 13.592 -8.259 23.611 1.00 0.00 H new ATOM 0 HB3 GLU A 247 12.828 -8.697 25.126 1.00 0.00 H new ATOM 0 HG2 GLU A 247 12.381 -10.705 22.991 1.00 0.00 H new ATOM 0 HG3 GLU A 247 14.078 -10.477 23.363 1.00 0.00 H new ATOM 398 N GLU A 248 11.488 -6.072 23.168 1.00 0.00 N ATOM 399 CA GLU A 248 11.200 -4.687 23.518 1.00 0.00 C ATOM 400 C GLU A 248 9.875 -4.238 22.902 1.00 0.00 C ATOM 401 O GLU A 248 9.202 -3.357 23.433 1.00 0.00 O ATOM 402 CB GLU A 248 12.334 -3.776 23.037 1.00 0.00 C ATOM 403 CG GLU A 248 12.066 -3.322 21.599 1.00 0.00 C ATOM 404 CD GLU A 248 13.357 -2.823 20.959 1.00 0.00 C ATOM 405 OE1 GLU A 248 14.387 -3.437 21.188 1.00 0.00 O ATOM 406 OE2 GLU A 248 13.296 -1.838 20.241 1.00 0.00 O1- ATOM 0 H GLU A 248 12.011 -6.193 22.301 1.00 0.00 H new ATOM 0 HA GLU A 248 11.120 -4.617 24.603 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.417 -2.908 23.692 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.285 -4.307 23.089 1.00 0.00 H new ATOM 0 HG2 GLU A 248 11.659 -4.149 21.018 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.318 -2.529 21.593 1.00 0.00 H new ATOM 413 N ILE A 249 9.509 -4.850 21.779 1.00 0.00 N ATOM 414 CA ILE A 249 8.265 -4.501 21.100 1.00 0.00 C ATOM 415 C ILE A 249 7.062 -4.786 21.993 1.00 0.00 C ATOM 416 O ILE A 249 6.420 -3.866 22.497 1.00 0.00 O ATOM 417 CB ILE A 249 8.136 -5.299 19.801 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.218 -4.848 18.815 1.00 0.00 C ATOM 419 CG2 ILE A 249 6.754 -5.058 19.190 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.268 -5.810 17.626 1.00 0.00 C ATOM 0 H ILE A 249 10.051 -5.584 21.323 1.00 0.00 H new ATOM 0 HA ILE A 249 8.288 -3.435 20.873 1.00 0.00 H new ATOM 0 HB ILE A 249 8.259 -6.361 20.013 1.00 0.00 H new ATOM 0 HG12 ILE A 249 9.008 -3.836 18.468 1.00 0.00 H new ATOM 0 HG13 ILE A 249 10.187 -4.819 19.313 1.00 0.00 H new ATOM 0 HG21 ILE A 249 6.661 -5.626 18.264 1.00 0.00 H new ATOM 0 HG22 ILE A 249 5.985 -5.380 19.892 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.630 -3.996 18.978 1.00 0.00 H new ATOM 0 HD11 ILE A 249 10.039 -5.485 16.927 1.00 0.00 H new ATOM 0 HD12 ILE A 249 9.499 -6.815 17.980 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.301 -5.816 17.122 1.00 0.00 H new ATOM 432 N HIS A 250 6.759 -6.066 22.184 1.00 0.00 N ATOM 433 CA HIS A 250 5.627 -6.451 23.017 1.00 0.00 C ATOM 434 C HIS A 250 5.715 -5.772 24.380 1.00 0.00 C ATOM 435 O HIS A 250 4.740 -5.732 25.129 1.00 0.00 O ATOM 436 CB HIS A 250 5.596 -7.971 23.193 1.00 0.00 C ATOM 437 CG HIS A 250 6.490 -8.369 24.335 1.00 0.00 C ATOM 438 ND1 HIS A 250 6.017 -9.078 25.429 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.828 -8.175 24.564 1.00 0.00 C ATOM 440 CE1 HIS A 250 7.055 -9.282 26.260 1.00 0.00 C ATOM 441 NE2 HIS A 250 8.185 -8.752 25.781 1.00 0.00 N ATOM 0 H HIS A 250 7.276 -6.846 21.778 1.00 0.00 H new ATOM 0 HA HIS A 250 4.709 -6.131 22.524 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.576 -8.304 23.385 1.00 0.00 H new ATOM 0 HB3 HIS A 250 5.923 -8.459 22.275 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.503 -7.654 23.901 1.00 0.00 H new ATOM 0 HE1 HIS A 250 6.984 -9.810 27.200 1.00 0.00 H new ATOM 0 HE2 HIS A 250 9.109 -8.767 26.213 1.00 0.00 H new ATOM 449 N LYS A 251 6.890 -5.233 24.687 1.00 0.00 N ATOM 450 CA LYS A 251 7.098 -4.546 25.955 1.00 0.00 C ATOM 451 C LYS A 251 6.769 -3.066 25.807 1.00 0.00 C ATOM 452 O LYS A 251 6.437 -2.388 26.779 1.00 0.00 O ATOM 453 CB LYS A 251 8.553 -4.713 26.402 1.00 0.00 C ATOM 454 CG LYS A 251 8.689 -4.327 27.878 1.00 0.00 C ATOM 455 CD LYS A 251 10.137 -3.930 28.167 1.00 0.00 C ATOM 456 CE LYS A 251 10.301 -2.421 27.972 1.00 0.00 C ATOM 457 NZ LYS A 251 9.778 -1.705 29.170 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.708 -5.258 24.079 1.00 0.00 H new ATOM 0 HA LYS A 251 6.440 -4.981 26.707 1.00 0.00 H new ATOM 0 HB2 LYS A 251 8.872 -5.745 26.255 1.00 0.00 H new ATOM 0 HB3 LYS A 251 9.205 -4.088 25.791 1.00 0.00 H new ATOM 0 HG2 LYS A 251 8.020 -3.499 28.112 1.00 0.00 H new ATOM 0 HG3 LYS A 251 8.396 -5.163 28.513 1.00 0.00 H new ATOM 0 HD2 LYS A 251 10.405 -4.207 29.187 1.00 0.00 H new ATOM 0 HD3 LYS A 251 10.813 -4.469 27.503 1.00 0.00 H new ATOM 0 HE2 LYS A 251 11.352 -2.176 27.819 1.00 0.00 H new ATOM 0 HE3 LYS A 251 9.765 -2.099 27.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 9.430 -0.766 28.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 8.999 -2.252 29.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 10.540 -1.596 29.869 1.00 0.00 H new ATOM 471 N LYS A 252 6.858 -2.578 24.577 1.00 0.00 N ATOM 472 CA LYS A 252 6.564 -1.180 24.290 1.00 0.00 C ATOM 473 C LYS A 252 5.137 -1.040 23.776 1.00 0.00 C ATOM 474 O LYS A 252 4.362 -0.218 24.269 1.00 0.00 O ATOM 475 CB LYS A 252 7.551 -0.650 23.242 1.00 0.00 C ATOM 476 CG LYS A 252 7.700 0.871 23.372 1.00 0.00 C ATOM 477 CD LYS A 252 6.370 1.560 23.055 1.00 0.00 C ATOM 478 CE LYS A 252 6.640 2.971 22.532 1.00 0.00 C ATOM 479 NZ LYS A 252 5.475 3.846 22.840 1.00 0.00 N1+ ATOM 0 H LYS A 252 7.131 -3.128 23.763 1.00 0.00 H new ATOM 0 HA LYS A 252 6.666 -0.599 25.207 1.00 0.00 H new ATOM 0 HB2 LYS A 252 8.521 -1.130 23.371 1.00 0.00 H new ATOM 0 HB3 LYS A 252 7.201 -0.904 22.242 1.00 0.00 H new ATOM 0 HG2 LYS A 252 8.020 1.128 24.382 1.00 0.00 H new ATOM 0 HG3 LYS A 252 8.474 1.228 22.692 1.00 0.00 H new ATOM 0 HD2 LYS A 252 5.818 0.985 22.312 1.00 0.00 H new ATOM 0 HD3 LYS A 252 5.749 1.605 23.950 1.00 0.00 H new ATOM 0 HE2 LYS A 252 7.543 3.374 22.991 1.00 0.00 H new ATOM 0 HE3 LYS A 252 6.814 2.945 21.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 5.658 4.806 22.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 4.623 3.464 22.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 5.329 3.880 23.869 1.00 0.00 H new ATOM 493 N LYS A 253 4.791 -1.853 22.786 1.00 0.00 N ATOM 494 CA LYS A 253 3.454 -1.819 22.208 1.00 0.00 C ATOM 495 C LYS A 253 2.418 -2.282 23.229 1.00 0.00 C ATOM 496 O LYS A 253 1.570 -1.500 23.657 1.00 0.00 O ATOM 497 CB LYS A 253 3.393 -2.719 20.973 1.00 0.00 C ATOM 498 CG LYS A 253 4.044 -2.002 19.787 1.00 0.00 C ATOM 499 CD LYS A 253 2.985 -1.182 19.044 1.00 0.00 C ATOM 500 CE LYS A 253 2.292 -2.066 18.005 1.00 0.00 C ATOM 501 NZ LYS A 253 3.062 -2.032 16.730 1.00 0.00 N1+ ATOM 0 H LYS A 253 5.416 -2.542 22.368 1.00 0.00 H new ATOM 0 HA LYS A 253 3.231 -0.792 21.918 1.00 0.00 H new ATOM 0 HB2 LYS A 253 3.907 -3.660 21.170 1.00 0.00 H new ATOM 0 HB3 LYS A 253 2.357 -2.964 20.739 1.00 0.00 H new ATOM 0 HG2 LYS A 253 4.845 -1.350 20.137 1.00 0.00 H new ATOM 0 HG3 LYS A 253 4.496 -2.729 19.112 1.00 0.00 H new ATOM 0 HD2 LYS A 253 2.253 -0.789 19.749 1.00 0.00 H new ATOM 0 HD3 LYS A 253 3.449 -0.325 18.556 1.00 0.00 H new ATOM 0 HE2 LYS A 253 2.221 -3.090 18.372 1.00 0.00 H new ATOM 0 HE3 LYS A 253 1.273 -1.717 17.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 2.591 -2.633 16.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 3.107 -1.054 16.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 4.026 -2.385 16.897 1.00 0.00 H new HETATM 515 N NH2 A 254 2.436 -3.519 23.644 1.00 0.00 N TER 518 NH2 A 254