USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 227 ASN : amide:sc= 0 X(o=0,f=0) 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= -1.3 K(o=-1.3,f=-0.49) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 222 11.196 3.665 15.569 1.00 0.00 C HETATM 2 O ACE A 222 10.126 3.436 16.134 1.00 0.00 O HETATM 3 CH3 ACE A 222 11.959 2.549 14.863 1.00 0.00 C HETATM 0 H1 ACE A 222 12.071 2.796 13.807 1.00 0.00 H new HETATM 0 H2 ACE A 222 12.944 2.439 15.316 1.00 0.00 H new HETATM 0 H3 ACE A 222 11.408 1.614 14.960 1.00 0.00 H new ATOM 7 N LYS A 223 11.752 4.871 15.532 1.00 0.00 N ATOM 8 CA LYS A 223 11.114 6.016 16.172 1.00 0.00 C ATOM 9 C LYS A 223 11.260 7.263 15.306 1.00 0.00 C ATOM 10 O LYS A 223 12.320 7.886 15.272 1.00 0.00 O ATOM 11 CB LYS A 223 11.746 6.266 17.542 1.00 0.00 C ATOM 12 CG LYS A 223 10.815 7.143 18.382 1.00 0.00 C ATOM 13 CD LYS A 223 11.643 7.981 19.358 1.00 0.00 C ATOM 14 CE LYS A 223 12.485 7.056 20.238 1.00 0.00 C ATOM 15 NZ LYS A 223 12.582 7.628 21.611 1.00 0.00 N1+ ATOM 0 H LYS A 223 12.637 5.081 15.069 1.00 0.00 H new ATOM 0 HA LYS A 223 10.054 5.796 16.296 1.00 0.00 H new ATOM 0 HB2 LYS A 223 11.926 5.318 18.049 1.00 0.00 H new ATOM 0 HB3 LYS A 223 12.714 6.753 17.424 1.00 0.00 H new ATOM 0 HG2 LYS A 223 10.229 7.795 17.734 1.00 0.00 H new ATOM 0 HG3 LYS A 223 10.108 6.520 18.930 1.00 0.00 H new ATOM 0 HD2 LYS A 223 12.289 8.665 18.809 1.00 0.00 H new ATOM 0 HD3 LYS A 223 10.986 8.591 19.978 1.00 0.00 H new ATOM 0 HE2 LYS A 223 12.035 6.064 20.277 1.00 0.00 H new ATOM 0 HE3 LYS A 223 13.481 6.937 19.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 223 13.155 6.999 22.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 223 13.030 8.565 21.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 223 11.629 7.719 22.017 1.00 0.00 H new ATOM 29 N LYS A 224 10.186 7.621 14.609 1.00 0.00 N ATOM 30 CA LYS A 224 10.203 8.797 13.745 1.00 0.00 C ATOM 31 C LYS A 224 11.046 8.539 12.499 1.00 0.00 C ATOM 32 O LYS A 224 10.937 9.258 11.507 1.00 0.00 O ATOM 33 CB LYS A 224 10.771 9.995 14.508 1.00 0.00 C ATOM 34 CG LYS A 224 9.954 11.247 14.179 1.00 0.00 C ATOM 35 CD LYS A 224 10.537 12.445 14.931 1.00 0.00 C ATOM 36 CE LYS A 224 9.778 13.713 14.539 1.00 0.00 C ATOM 37 NZ LYS A 224 10.098 14.803 15.503 1.00 0.00 N1+ ATOM 0 H LYS A 224 9.299 7.118 14.625 1.00 0.00 H new ATOM 0 HA LYS A 224 9.180 9.012 13.437 1.00 0.00 H new ATOM 0 HB2 LYS A 224 10.744 9.802 15.580 1.00 0.00 H new ATOM 0 HB3 LYS A 224 11.816 10.149 14.238 1.00 0.00 H new ATOM 0 HG2 LYS A 224 9.971 11.434 13.105 1.00 0.00 H new ATOM 0 HG3 LYS A 224 8.911 11.099 14.460 1.00 0.00 H new ATOM 0 HD2 LYS A 224 10.464 12.283 16.006 1.00 0.00 H new ATOM 0 HD3 LYS A 224 11.596 12.555 14.696 1.00 0.00 H new ATOM 0 HE2 LYS A 224 10.052 14.015 13.528 1.00 0.00 H new ATOM 0 HE3 LYS A 224 8.705 13.521 14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 9.582 15.665 15.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 9.816 14.513 16.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 11.120 14.993 15.486 1.00 0.00 H new ATOM 51 N LYS A 225 11.884 7.510 12.558 1.00 0.00 N ATOM 52 CA LYS A 225 12.739 7.167 11.428 1.00 0.00 C ATOM 53 C LYS A 225 12.973 5.661 11.368 1.00 0.00 C ATOM 54 O LYS A 225 14.022 5.170 11.783 1.00 0.00 O ATOM 55 CB LYS A 225 14.082 7.889 11.551 1.00 0.00 C ATOM 56 CG LYS A 225 14.575 7.807 12.997 1.00 0.00 C ATOM 57 CD LYS A 225 16.097 7.967 13.028 1.00 0.00 C ATOM 58 CE LYS A 225 16.754 6.587 12.975 1.00 0.00 C ATOM 59 NZ LYS A 225 16.779 5.994 14.343 1.00 0.00 N1+ ATOM 0 H LYS A 225 11.989 6.902 13.371 1.00 0.00 H new ATOM 0 HA LYS A 225 12.239 7.482 10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 225 14.813 7.437 10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 225 13.975 8.931 11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 225 14.105 8.586 13.597 1.00 0.00 H new ATOM 0 HG3 LYS A 225 14.290 6.851 13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 225 16.427 8.572 12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 225 16.400 8.492 13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 225 16.204 5.937 12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 225 17.768 6.670 12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 225 17.226 5.056 14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 225 17.322 6.612 14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 225 15.806 5.901 14.699 1.00 0.00 H new ATOM 73 N ASP A 226 11.987 4.934 10.853 1.00 0.00 N ATOM 74 CA ASP A 226 12.095 3.484 10.746 1.00 0.00 C ATOM 75 C ASP A 226 12.429 3.075 9.315 1.00 0.00 C ATOM 76 O ASP A 226 13.550 3.274 8.848 1.00 0.00 O ATOM 77 CB ASP A 226 10.779 2.829 11.173 1.00 0.00 C ATOM 78 CG ASP A 226 10.880 1.314 11.034 1.00 0.00 C ATOM 79 OD1 ASP A 226 11.411 0.691 11.938 1.00 0.00 O1- ATOM 80 OD2 ASP A 226 10.425 0.800 10.025 1.00 0.00 O ATOM 0 H ASP A 226 11.110 5.322 10.505 1.00 0.00 H new ATOM 0 HA ASP A 226 12.897 3.149 11.403 1.00 0.00 H new ATOM 0 HB2 ASP A 226 10.550 3.093 12.206 1.00 0.00 H new ATOM 0 HB3 ASP A 226 9.960 3.205 10.559 1.00 0.00 H new ATOM 85 N ASN A 227 11.447 2.506 8.623 1.00 0.00 N ATOM 86 CA ASN A 227 11.647 2.075 7.243 1.00 0.00 C ATOM 87 C ASN A 227 13.010 1.410 7.080 1.00 0.00 C ATOM 88 O ASN A 227 14.017 2.082 6.853 1.00 0.00 O ATOM 89 CB ASN A 227 11.548 3.276 6.302 1.00 0.00 C ATOM 90 CG ASN A 227 10.094 3.509 5.904 1.00 0.00 C ATOM 91 OD1 ASN A 227 9.696 3.183 4.786 1.00 0.00 O ATOM 92 ND2 ASN A 227 9.274 4.056 6.759 1.00 0.00 N ATOM 0 H ASN A 227 10.512 2.333 8.991 1.00 0.00 H new ATOM 0 HA ASN A 227 10.871 1.352 6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 227 11.947 4.165 6.791 1.00 0.00 H new ATOM 0 HB3 ASN A 227 12.154 3.102 5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 227 8.300 4.215 6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 227 9.607 4.325 7.685 1.00 0.00 H new ATOM 99 N LEU A 228 13.034 0.086 7.194 1.00 0.00 N ATOM 100 CA LEU A 228 14.281 -0.660 7.055 1.00 0.00 C ATOM 101 C LEU A 228 14.041 -1.973 6.318 1.00 0.00 C ATOM 102 O LEU A 228 13.796 -3.008 6.937 1.00 0.00 O ATOM 103 CB LEU A 228 14.873 -0.948 8.436 1.00 0.00 C ATOM 104 CG LEU A 228 13.806 -1.584 9.329 1.00 0.00 C ATOM 105 CD1 LEU A 228 14.333 -2.904 9.894 1.00 0.00 C ATOM 106 CD2 LEU A 228 13.473 -0.633 10.479 1.00 0.00 C ATOM 0 H LEU A 228 12.212 -0.489 7.381 1.00 0.00 H new ATOM 0 HA LEU A 228 14.982 -0.056 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 228 15.730 -1.616 8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 228 15.236 -0.024 8.887 1.00 0.00 H new ATOM 0 HG LEU A 228 12.907 -1.774 8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 228 13.573 -3.357 10.530 1.00 0.00 H new ATOM 0 HD12 LEU A 228 14.571 -3.582 9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 228 15.232 -2.715 10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 228 12.713 -1.085 11.116 1.00 0.00 H new ATOM 0 HD22 LEU A 228 14.372 -0.443 11.066 1.00 0.00 H new ATOM 0 HD23 LEU A 228 13.097 0.307 10.076 1.00 0.00 H new ATOM 118 N LEU A 229 14.112 -1.922 4.992 1.00 0.00 N ATOM 119 CA LEU A 229 13.901 -3.114 4.178 1.00 0.00 C ATOM 120 C LEU A 229 14.597 -4.319 4.802 1.00 0.00 C ATOM 121 O LEU A 229 14.242 -5.464 4.529 1.00 0.00 O ATOM 122 CB LEU A 229 14.442 -2.890 2.763 1.00 0.00 C ATOM 123 CG LEU A 229 14.303 -1.414 2.384 1.00 0.00 C ATOM 124 CD1 LEU A 229 15.565 -0.654 2.798 1.00 0.00 C ATOM 125 CD2 LEU A 229 14.116 -1.294 0.869 1.00 0.00 C ATOM 0 H LEU A 229 14.313 -1.075 4.461 1.00 0.00 H new ATOM 0 HA LEU A 229 12.830 -3.309 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 229 15.488 -3.191 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 229 13.896 -3.511 2.052 1.00 0.00 H new ATOM 0 HG LEU A 229 13.440 -0.990 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 229 15.462 0.397 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 229 15.703 -0.738 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 229 16.429 -1.078 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 229 14.017 -0.243 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 229 14.981 -1.720 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 229 13.217 -1.833 0.570 1.00 0.00 H new ATOM 137 N PHE A 230 15.593 -4.049 5.640 1.00 0.00 N ATOM 138 CA PHE A 230 16.338 -5.118 6.298 1.00 0.00 C ATOM 139 C PHE A 230 15.393 -6.050 7.048 1.00 0.00 C ATOM 140 O PHE A 230 15.607 -7.261 7.093 1.00 0.00 O ATOM 141 CB PHE A 230 17.350 -4.520 7.275 1.00 0.00 C ATOM 142 CG PHE A 230 18.585 -4.091 6.520 1.00 0.00 C ATOM 143 CD1 PHE A 230 18.489 -3.104 5.531 1.00 0.00 C ATOM 144 CD2 PHE A 230 19.825 -4.674 6.808 1.00 0.00 C ATOM 145 CE1 PHE A 230 19.631 -2.702 4.829 1.00 0.00 C ATOM 146 CE2 PHE A 230 20.967 -4.273 6.105 1.00 0.00 C ATOM 147 CZ PHE A 230 20.870 -3.287 5.117 1.00 0.00 C ATOM 0 H PHE A 230 15.902 -3.107 5.879 1.00 0.00 H new ATOM 0 HA PHE A 230 16.863 -5.693 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 230 16.912 -3.666 7.792 1.00 0.00 H new ATOM 0 HB3 PHE A 230 17.613 -5.253 8.037 1.00 0.00 H new ATOM 0 HD1 PHE A 230 17.533 -2.653 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 230 19.900 -5.433 7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 230 19.557 -1.941 4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 230 21.923 -4.725 6.325 1.00 0.00 H new ATOM 0 HZ PHE A 230 21.752 -2.977 4.576 1.00 0.00 H new ATOM 157 N GLY A 231 14.351 -5.478 7.639 1.00 0.00 N ATOM 158 CA GLY A 231 13.381 -6.268 8.388 1.00 0.00 C ATOM 159 C GLY A 231 13.054 -7.568 7.660 1.00 0.00 C ATOM 160 O GLY A 231 13.071 -8.645 8.255 1.00 0.00 O ATOM 0 H GLY A 231 14.156 -4.477 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 231 13.777 -6.492 9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 231 12.469 -5.689 8.532 1.00 0.00 H new ATOM 164 N SER A 232 12.756 -7.460 6.369 1.00 0.00 N ATOM 165 CA SER A 232 12.424 -8.635 5.570 1.00 0.00 C ATOM 166 C SER A 232 13.544 -9.666 5.641 1.00 0.00 C ATOM 167 O SER A 232 13.305 -10.869 5.528 1.00 0.00 O ATOM 168 CB SER A 232 12.195 -8.228 4.116 1.00 0.00 C ATOM 169 OG SER A 232 11.279 -9.134 3.514 1.00 0.00 O ATOM 0 H SER A 232 12.737 -6.578 5.857 1.00 0.00 H new ATOM 0 HA SER A 232 11.513 -9.078 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 232 11.804 -7.212 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 232 13.139 -8.232 3.572 1.00 0.00 H new ATOM 0 HG SER A 232 11.128 -8.875 2.581 1.00 0.00 H new ATOM 175 N ILE A 233 14.767 -9.186 5.825 1.00 0.00 N ATOM 176 CA ILE A 233 15.923 -10.072 5.907 1.00 0.00 C ATOM 177 C ILE A 233 16.183 -10.484 7.352 1.00 0.00 C ATOM 178 O ILE A 233 16.244 -11.672 7.668 1.00 0.00 O ATOM 179 CB ILE A 233 17.158 -9.367 5.345 1.00 0.00 C ATOM 180 CG1 ILE A 233 17.034 -9.262 3.823 1.00 0.00 C ATOM 181 CG2 ILE A 233 18.412 -10.169 5.700 1.00 0.00 C ATOM 182 CD1 ILE A 233 17.420 -7.849 3.376 1.00 0.00 C ATOM 0 H ILE A 233 14.985 -8.194 5.920 1.00 0.00 H new ATOM 0 HA ILE A 233 15.715 -10.967 5.320 1.00 0.00 H new ATOM 0 HB ILE A 233 17.233 -8.368 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 233 17.681 -9.996 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 233 16.013 -9.487 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 233 19.292 -9.665 5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 233 18.500 -10.245 6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 233 18.339 -11.168 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 233 17.332 -7.773 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 233 16.755 -7.124 3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 233 18.448 -7.642 3.672 1.00 0.00 H new ATOM 194 N ILE A 234 16.338 -9.495 8.225 1.00 0.00 N ATOM 195 CA ILE A 234 16.596 -9.766 9.634 1.00 0.00 C ATOM 196 C ILE A 234 15.378 -10.416 10.286 1.00 0.00 C ATOM 197 O ILE A 234 15.454 -11.540 10.779 1.00 0.00 O ATOM 198 CB ILE A 234 16.936 -8.466 10.365 1.00 0.00 C ATOM 199 CG1 ILE A 234 18.053 -7.738 9.613 1.00 0.00 C ATOM 200 CG2 ILE A 234 17.404 -8.786 11.785 1.00 0.00 C ATOM 201 CD1 ILE A 234 18.327 -6.389 10.283 1.00 0.00 C ATOM 0 H ILE A 234 16.290 -8.505 7.984 1.00 0.00 H new ATOM 0 HA ILE A 234 17.441 -10.451 9.703 1.00 0.00 H new ATOM 0 HB ILE A 234 16.051 -7.831 10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 234 18.959 -8.345 9.610 1.00 0.00 H new ATOM 0 HG13 ILE A 234 17.767 -7.587 8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 234 17.646 -7.860 12.306 1.00 0.00 H new ATOM 0 HG22 ILE A 234 16.610 -9.307 12.321 1.00 0.00 H new ATOM 0 HG23 ILE A 234 18.289 -9.420 11.742 1.00 0.00 H new ATOM 0 HD11 ILE A 234 19.122 -5.871 9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 234 17.422 -5.782 10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 234 18.632 -6.551 11.317 1.00 0.00 H new ATOM 213 N SER A 235 14.258 -9.701 10.283 1.00 0.00 N ATOM 214 CA SER A 235 13.032 -10.220 10.876 1.00 0.00 C ATOM 215 C SER A 235 12.746 -11.629 10.369 1.00 0.00 C ATOM 216 O SER A 235 11.964 -12.370 10.967 1.00 0.00 O ATOM 217 CB SER A 235 11.857 -9.305 10.535 1.00 0.00 C ATOM 218 OG SER A 235 10.903 -9.353 11.588 1.00 0.00 O ATOM 0 H SER A 235 14.174 -8.768 9.880 1.00 0.00 H new ATOM 0 HA SER A 235 13.162 -10.255 11.958 1.00 0.00 H new ATOM 0 HB2 SER A 235 12.207 -8.283 10.392 1.00 0.00 H new ATOM 0 HB3 SER A 235 11.397 -9.618 9.598 1.00 0.00 H new ATOM 0 HG SER A 235 10.149 -8.766 11.373 1.00 0.00 H new ATOM 224 N ALA A 236 13.387 -11.993 9.264 1.00 0.00 N ATOM 225 CA ALA A 236 13.196 -13.317 8.681 1.00 0.00 C ATOM 226 C ALA A 236 14.223 -14.298 9.233 1.00 0.00 C ATOM 227 O ALA A 236 13.946 -15.489 9.377 1.00 0.00 O ATOM 228 CB ALA A 236 13.327 -13.241 7.158 1.00 0.00 C ATOM 0 H ALA A 236 14.039 -11.395 8.756 1.00 0.00 H new ATOM 0 HA ALA A 236 12.198 -13.668 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 236 13.183 -14.233 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 236 12.572 -12.562 6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 236 14.319 -12.873 6.896 1.00 0.00 H new ATOM 234 N VAL A 237 15.412 -13.791 9.541 1.00 0.00 N ATOM 235 CA VAL A 237 16.477 -14.631 10.075 1.00 0.00 C ATOM 236 C VAL A 237 16.002 -15.368 11.327 1.00 0.00 C ATOM 237 O VAL A 237 14.926 -15.085 11.855 1.00 0.00 O ATOM 238 CB VAL A 237 17.709 -13.767 10.383 1.00 0.00 C ATOM 239 CG1 VAL A 237 17.737 -13.385 11.865 1.00 0.00 C ATOM 240 CG2 VAL A 237 18.982 -14.545 10.035 1.00 0.00 C ATOM 0 H VAL A 237 15.661 -12.808 9.431 1.00 0.00 H new ATOM 0 HA VAL A 237 16.750 -15.379 9.331 1.00 0.00 H new ATOM 0 HB VAL A 237 17.657 -12.858 9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 237 18.616 -12.773 12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 237 16.838 -12.821 12.112 1.00 0.00 H new ATOM 0 HG13 VAL A 237 17.777 -14.289 12.473 1.00 0.00 H new ATOM 0 HG21 VAL A 237 19.855 -13.931 10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 237 19.023 -15.459 10.628 1.00 0.00 H new ATOM 0 HG23 VAL A 237 18.974 -14.800 8.975 1.00 0.00 H new ATOM 250 N ASP A 238 16.806 -16.320 11.792 1.00 0.00 N ATOM 251 CA ASP A 238 16.454 -17.100 12.976 1.00 0.00 C ATOM 252 C ASP A 238 15.820 -16.204 14.056 1.00 0.00 C ATOM 253 O ASP A 238 16.414 -15.196 14.440 1.00 0.00 O ATOM 254 CB ASP A 238 17.709 -17.764 13.547 1.00 0.00 C ATOM 255 CG ASP A 238 17.313 -18.873 14.517 1.00 0.00 C ATOM 256 OD1 ASP A 238 16.986 -19.952 14.053 1.00 0.00 O1- ATOM 257 OD2 ASP A 238 17.341 -18.622 15.711 1.00 0.00 O ATOM 0 H ASP A 238 17.701 -16.570 11.370 1.00 0.00 H new ATOM 0 HA ASP A 238 15.730 -17.860 12.682 1.00 0.00 H new ATOM 0 HB2 ASP A 238 18.314 -18.175 12.738 1.00 0.00 H new ATOM 0 HB3 ASP A 238 18.322 -17.023 14.059 1.00 0.00 H new ATOM 262 N PRO A 239 14.646 -16.536 14.562 1.00 0.00 N ATOM 263 CA PRO A 239 13.976 -15.718 15.617 1.00 0.00 C ATOM 264 C PRO A 239 14.950 -15.227 16.686 1.00 0.00 C ATOM 265 O PRO A 239 14.831 -14.106 17.179 1.00 0.00 O ATOM 266 CB PRO A 239 12.957 -16.681 16.220 1.00 0.00 C ATOM 267 CG PRO A 239 12.596 -17.608 15.112 1.00 0.00 C ATOM 268 CD PRO A 239 13.819 -17.708 14.199 1.00 0.00 C ATOM 0 HA PRO A 239 13.533 -14.811 15.206 1.00 0.00 H new ATOM 0 HB2 PRO A 239 13.380 -17.223 17.066 1.00 0.00 H new ATOM 0 HB3 PRO A 239 12.081 -16.148 16.589 1.00 0.00 H new ATOM 0 HG2 PRO A 239 12.324 -18.589 15.502 1.00 0.00 H new ATOM 0 HG3 PRO A 239 11.733 -17.234 14.561 1.00 0.00 H new ATOM 0 HD2 PRO A 239 14.360 -18.641 14.360 1.00 0.00 H new ATOM 0 HD3 PRO A 239 13.533 -17.682 13.147 1.00 0.00 H new ATOM 276 N VAL A 240 15.908 -16.076 17.042 1.00 0.00 N ATOM 277 CA VAL A 240 16.894 -15.719 18.057 1.00 0.00 C ATOM 278 C VAL A 240 17.384 -14.293 17.847 1.00 0.00 C ATOM 279 O VAL A 240 17.736 -13.598 18.800 1.00 0.00 O ATOM 280 CB VAL A 240 18.082 -16.677 17.992 1.00 0.00 C ATOM 281 CG1 VAL A 240 19.295 -16.034 18.668 1.00 0.00 C ATOM 282 CG2 VAL A 240 17.728 -17.978 18.716 1.00 0.00 C ATOM 0 H VAL A 240 16.023 -17.009 16.647 1.00 0.00 H new ATOM 0 HA VAL A 240 16.420 -15.792 19.036 1.00 0.00 H new ATOM 0 HB VAL A 240 18.318 -16.892 16.950 1.00 0.00 H new ATOM 0 HG11 VAL A 240 20.142 -16.718 18.621 1.00 0.00 H new ATOM 0 HG12 VAL A 240 19.549 -15.107 18.155 1.00 0.00 H new ATOM 0 HG13 VAL A 240 19.059 -15.819 19.710 1.00 0.00 H new ATOM 0 HG21 VAL A 240 18.575 -18.662 18.670 1.00 0.00 H new ATOM 0 HG22 VAL A 240 17.492 -17.762 19.758 1.00 0.00 H new ATOM 0 HG23 VAL A 240 16.864 -18.438 18.236 1.00 0.00 H new ATOM 292 N ALA A 241 17.405 -13.866 16.592 1.00 0.00 N ATOM 293 CA ALA A 241 17.854 -12.522 16.258 1.00 0.00 C ATOM 294 C ALA A 241 16.709 -11.524 16.392 1.00 0.00 C ATOM 295 O ALA A 241 16.925 -10.349 16.684 1.00 0.00 O ATOM 296 CB ALA A 241 18.390 -12.498 14.828 1.00 0.00 C ATOM 0 H ALA A 241 17.117 -14.429 15.791 1.00 0.00 H new ATOM 0 HA ALA A 241 18.647 -12.239 16.951 1.00 0.00 H new ATOM 0 HB1 ALA A 241 18.725 -11.490 14.582 1.00 0.00 H new ATOM 0 HB2 ALA A 241 19.228 -13.190 14.742 1.00 0.00 H new ATOM 0 HB3 ALA A 241 17.600 -12.796 14.138 1.00 0.00 H new ATOM 302 N VAL A 242 15.489 -12.005 16.178 1.00 0.00 N ATOM 303 CA VAL A 242 14.313 -11.149 16.277 1.00 0.00 C ATOM 304 C VAL A 242 13.804 -11.106 17.714 1.00 0.00 C ATOM 305 O VAL A 242 13.034 -10.220 18.084 1.00 0.00 O ATOM 306 CB VAL A 242 13.209 -11.673 15.358 1.00 0.00 C ATOM 307 CG1 VAL A 242 12.205 -10.554 15.078 1.00 0.00 C ATOM 308 CG2 VAL A 242 13.827 -12.145 14.039 1.00 0.00 C ATOM 0 H VAL A 242 15.289 -12.976 15.937 1.00 0.00 H new ATOM 0 HA VAL A 242 14.592 -10.141 15.971 1.00 0.00 H new ATOM 0 HB VAL A 242 12.699 -12.507 15.841 1.00 0.00 H new ATOM 0 HG11 VAL A 242 11.418 -10.927 14.423 1.00 0.00 H new ATOM 0 HG12 VAL A 242 11.766 -10.216 16.017 1.00 0.00 H new ATOM 0 HG13 VAL A 242 12.715 -9.720 14.595 1.00 0.00 H new ATOM 0 HG21 VAL A 242 13.041 -12.519 13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 242 14.336 -11.311 13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 242 14.544 -12.942 14.238 1.00 0.00 H new ATOM 318 N LEU A 243 14.239 -12.072 18.516 1.00 0.00 N ATOM 319 CA LEU A 243 13.823 -12.141 19.911 1.00 0.00 C ATOM 320 C LEU A 243 14.242 -10.880 20.659 1.00 0.00 C ATOM 321 O LEU A 243 13.441 -10.272 21.369 1.00 0.00 O ATOM 322 CB LEU A 243 14.450 -13.367 20.580 1.00 0.00 C ATOM 323 CG LEU A 243 14.073 -13.393 22.062 1.00 0.00 C ATOM 324 CD1 LEU A 243 13.646 -14.808 22.456 1.00 0.00 C ATOM 325 CD2 LEU A 243 15.283 -12.973 22.902 1.00 0.00 C ATOM 0 H LEU A 243 14.876 -12.814 18.226 1.00 0.00 H new ATOM 0 HA LEU A 243 12.737 -12.223 19.944 1.00 0.00 H new ATOM 0 HB2 LEU A 243 14.104 -14.277 20.091 1.00 0.00 H new ATOM 0 HB3 LEU A 243 15.534 -13.339 20.471 1.00 0.00 H new ATOM 0 HG LEU A 243 13.248 -12.703 22.240 1.00 0.00 H new ATOM 0 HD11 LEU A 243 13.377 -14.826 23.512 1.00 0.00 H new ATOM 0 HD12 LEU A 243 12.786 -15.108 21.858 1.00 0.00 H new ATOM 0 HD13 LEU A 243 14.470 -15.499 22.279 1.00 0.00 H new ATOM 0 HD21 LEU A 243 15.016 -12.991 23.959 1.00 0.00 H new ATOM 0 HD22 LEU A 243 16.107 -13.664 22.724 1.00 0.00 H new ATOM 0 HD23 LEU A 243 15.588 -11.965 22.622 1.00 0.00 H new ATOM 337 N ALA A 244 15.502 -10.496 20.497 1.00 0.00 N ATOM 338 CA ALA A 244 16.022 -9.308 21.164 1.00 0.00 C ATOM 339 C ALA A 244 15.246 -8.068 20.736 1.00 0.00 C ATOM 340 O ALA A 244 15.175 -7.084 21.471 1.00 0.00 O ATOM 341 CB ALA A 244 17.499 -9.131 20.821 1.00 0.00 C ATOM 0 H ALA A 244 16.180 -10.986 19.913 1.00 0.00 H new ATOM 0 HA ALA A 244 15.908 -9.436 22.240 1.00 0.00 H new ATOM 0 HB1 ALA A 244 17.885 -8.242 21.321 1.00 0.00 H new ATOM 0 HB2 ALA A 244 18.057 -10.006 21.154 1.00 0.00 H new ATOM 0 HB3 ALA A 244 17.611 -9.018 19.743 1.00 0.00 H new ATOM 347 N VAL A 245 14.672 -8.123 19.542 1.00 0.00 N ATOM 348 CA VAL A 245 13.904 -6.997 19.021 1.00 0.00 C ATOM 349 C VAL A 245 12.422 -7.160 19.341 1.00 0.00 C ATOM 350 O VAL A 245 11.699 -6.174 19.492 1.00 0.00 O ATOM 351 CB VAL A 245 14.091 -6.893 17.507 1.00 0.00 C ATOM 352 CG1 VAL A 245 13.961 -5.431 17.075 1.00 0.00 C ATOM 353 CG2 VAL A 245 15.481 -7.412 17.129 1.00 0.00 C ATOM 0 H VAL A 245 14.722 -8.929 18.918 1.00 0.00 H new ATOM 0 HA VAL A 245 14.267 -6.086 19.497 1.00 0.00 H new ATOM 0 HB VAL A 245 13.329 -7.490 17.006 1.00 0.00 H new ATOM 0 HG11 VAL A 245 14.094 -5.357 15.996 1.00 0.00 H new ATOM 0 HG12 VAL A 245 12.973 -5.058 17.345 1.00 0.00 H new ATOM 0 HG13 VAL A 245 14.723 -4.834 17.576 1.00 0.00 H new ATOM 0 HG21 VAL A 245 15.616 -7.339 16.050 1.00 0.00 H new ATOM 0 HG22 VAL A 245 16.242 -6.814 17.631 1.00 0.00 H new ATOM 0 HG23 VAL A 245 15.577 -8.453 17.436 1.00 0.00 H new ATOM 363 N PHE A 246 11.972 -8.406 19.438 1.00 0.00 N ATOM 364 CA PHE A 246 10.574 -8.678 19.736 1.00 0.00 C ATOM 365 C PHE A 246 10.310 -8.556 21.233 1.00 0.00 C ATOM 366 O PHE A 246 9.170 -8.380 21.659 1.00 0.00 O ATOM 367 CB PHE A 246 10.200 -10.083 19.263 1.00 0.00 C ATOM 368 CG PHE A 246 9.091 -10.625 20.131 1.00 0.00 C ATOM 369 CD1 PHE A 246 7.756 -10.336 19.822 1.00 0.00 C ATOM 370 CD2 PHE A 246 9.397 -11.415 21.247 1.00 0.00 C ATOM 371 CE1 PHE A 246 6.727 -10.839 20.630 1.00 0.00 C ATOM 372 CE2 PHE A 246 8.369 -11.916 22.053 1.00 0.00 C ATOM 373 CZ PHE A 246 7.033 -11.627 21.744 1.00 0.00 C ATOM 0 H PHE A 246 12.551 -9.237 19.315 1.00 0.00 H new ATOM 0 HA PHE A 246 9.963 -7.944 19.210 1.00 0.00 H new ATOM 0 HB2 PHE A 246 9.881 -10.055 18.221 1.00 0.00 H new ATOM 0 HB3 PHE A 246 11.069 -10.739 19.313 1.00 0.00 H new ATOM 0 HD1 PHE A 246 7.520 -9.726 18.962 1.00 0.00 H new ATOM 0 HD2 PHE A 246 10.427 -11.637 21.485 1.00 0.00 H new ATOM 0 HE1 PHE A 246 5.697 -10.618 20.392 1.00 0.00 H new ATOM 0 HE2 PHE A 246 8.605 -12.525 22.913 1.00 0.00 H new ATOM 0 HZ PHE A 246 6.239 -12.013 22.366 1.00 0.00 H new ATOM 383 N GLU A 247 11.371 -8.651 22.023 1.00 0.00 N ATOM 384 CA GLU A 247 11.243 -8.549 23.472 1.00 0.00 C ATOM 385 C GLU A 247 10.950 -7.109 23.882 1.00 0.00 C ATOM 386 O GLU A 247 10.328 -6.861 24.914 1.00 0.00 O ATOM 387 CB GLU A 247 12.533 -9.021 24.145 1.00 0.00 C ATOM 388 CG GLU A 247 13.626 -7.971 23.946 1.00 0.00 C ATOM 389 CD GLU A 247 13.621 -6.986 25.110 1.00 0.00 C ATOM 390 OE1 GLU A 247 14.132 -7.337 26.160 1.00 0.00 O ATOM 391 OE2 GLU A 247 13.109 -5.892 24.933 1.00 0.00 O1- ATOM 0 H GLU A 247 12.324 -8.797 21.689 1.00 0.00 H new ATOM 0 HA GLU A 247 10.415 -9.182 23.791 1.00 0.00 H new ATOM 0 HB2 GLU A 247 12.361 -9.186 25.209 1.00 0.00 H new ATOM 0 HB3 GLU A 247 12.849 -9.975 23.722 1.00 0.00 H new ATOM 0 HG2 GLU A 247 14.599 -8.456 23.874 1.00 0.00 H new ATOM 0 HG3 GLU A 247 13.465 -7.439 23.008 1.00 0.00 H new ATOM 398 N GLU A 248 11.401 -6.163 23.063 1.00 0.00 N ATOM 399 CA GLU A 248 11.180 -4.750 23.350 1.00 0.00 C ATOM 400 C GLU A 248 9.867 -4.279 22.732 1.00 0.00 C ATOM 401 O GLU A 248 9.203 -3.388 23.264 1.00 0.00 O ATOM 402 CB GLU A 248 12.336 -3.914 22.799 1.00 0.00 C ATOM 403 CG GLU A 248 12.587 -4.284 21.338 1.00 0.00 C ATOM 404 CD GLU A 248 13.621 -3.344 20.729 1.00 0.00 C ATOM 405 OE1 GLU A 248 14.727 -3.299 21.242 1.00 0.00 O ATOM 406 OE2 GLU A 248 13.293 -2.683 19.758 1.00 0.00 O1- ATOM 0 H GLU A 248 11.917 -6.347 22.203 1.00 0.00 H new ATOM 0 HA GLU A 248 11.127 -4.623 24.431 1.00 0.00 H new ATOM 0 HB2 GLU A 248 12.101 -2.853 22.880 1.00 0.00 H new ATOM 0 HB3 GLU A 248 13.236 -4.088 23.388 1.00 0.00 H new ATOM 0 HG2 GLU A 248 12.937 -5.314 21.271 1.00 0.00 H new ATOM 0 HG3 GLU A 248 11.655 -4.226 20.775 1.00 0.00 H new ATOM 413 N ILE A 249 9.499 -4.881 21.607 1.00 0.00 N ATOM 414 CA ILE A 249 8.265 -4.515 20.921 1.00 0.00 C ATOM 415 C ILE A 249 7.052 -4.814 21.797 1.00 0.00 C ATOM 416 O ILE A 249 6.445 -3.906 22.365 1.00 0.00 O ATOM 417 CB ILE A 249 8.149 -5.290 19.609 1.00 0.00 C ATOM 418 CG1 ILE A 249 9.133 -4.712 18.591 1.00 0.00 C ATOM 419 CG2 ILE A 249 6.723 -5.168 19.066 1.00 0.00 C ATOM 420 CD1 ILE A 249 9.345 -5.717 17.457 1.00 0.00 C ATOM 0 H ILE A 249 10.034 -5.621 21.152 1.00 0.00 H new ATOM 0 HA ILE A 249 8.293 -3.445 20.713 1.00 0.00 H new ATOM 0 HB ILE A 249 8.380 -6.341 19.785 1.00 0.00 H new ATOM 0 HG12 ILE A 249 8.750 -3.773 18.192 1.00 0.00 H new ATOM 0 HG13 ILE A 249 10.084 -4.488 19.075 1.00 0.00 H new ATOM 0 HG21 ILE A 249 6.641 -5.721 18.130 1.00 0.00 H new ATOM 0 HG22 ILE A 249 6.021 -5.578 19.792 1.00 0.00 H new ATOM 0 HG23 ILE A 249 6.490 -4.118 18.888 1.00 0.00 H new ATOM 0 HD11 ILE A 249 10.046 -5.305 16.732 1.00 0.00 H new ATOM 0 HD12 ILE A 249 9.747 -6.645 17.864 1.00 0.00 H new ATOM 0 HD13 ILE A 249 8.393 -5.919 16.967 1.00 0.00 H new ATOM 432 N HIS A 250 6.702 -6.092 21.898 1.00 0.00 N ATOM 433 CA HIS A 250 5.557 -6.497 22.705 1.00 0.00 C ATOM 434 C HIS A 250 5.626 -5.860 24.090 1.00 0.00 C ATOM 435 O HIS A 250 4.616 -5.745 24.782 1.00 0.00 O ATOM 436 CB HIS A 250 5.527 -8.020 22.843 1.00 0.00 C ATOM 437 CG HIS A 250 6.333 -8.434 24.041 1.00 0.00 C ATOM 438 ND1 HIS A 250 5.783 -9.155 25.089 1.00 0.00 N ATOM 439 CD2 HIS A 250 7.651 -8.236 24.375 1.00 0.00 C ATOM 440 CE1 HIS A 250 6.757 -9.365 25.994 1.00 0.00 C ATOM 441 NE2 HIS A 250 7.917 -8.825 25.607 1.00 0.00 N ATOM 0 H HIS A 250 7.190 -6.859 21.436 1.00 0.00 H new ATOM 0 HA HIS A 250 4.648 -6.160 22.207 1.00 0.00 H new ATOM 0 HB2 HIS A 250 4.498 -8.365 22.947 1.00 0.00 H new ATOM 0 HB3 HIS A 250 5.930 -8.485 21.943 1.00 0.00 H new ATOM 0 HD2 HIS A 250 8.372 -7.704 23.772 1.00 0.00 H new ATOM 0 HE1 HIS A 250 6.618 -9.904 26.920 1.00 0.00 H new ATOM 0 HE2 HIS A 250 8.806 -8.841 26.107 1.00 0.00 H new ATOM 449 N LYS A 251 6.824 -5.446 24.485 1.00 0.00 N ATOM 450 CA LYS A 251 7.015 -4.820 25.787 1.00 0.00 C ATOM 451 C LYS A 251 6.873 -3.305 25.678 1.00 0.00 C ATOM 452 O LYS A 251 6.597 -2.623 26.665 1.00 0.00 O ATOM 453 CB LYS A 251 8.398 -5.171 26.339 1.00 0.00 C ATOM 454 CG LYS A 251 8.590 -4.502 27.703 1.00 0.00 C ATOM 455 CD LYS A 251 9.504 -3.283 27.554 1.00 0.00 C ATOM 456 CE LYS A 251 10.955 -3.744 27.402 1.00 0.00 C ATOM 457 NZ LYS A 251 11.676 -3.548 28.691 1.00 0.00 N1+ ATOM 0 H LYS A 251 7.673 -5.532 23.926 1.00 0.00 H new ATOM 0 HA LYS A 251 6.250 -5.196 26.467 1.00 0.00 H new ATOM 0 HB2 LYS A 251 8.499 -6.252 26.435 1.00 0.00 H new ATOM 0 HB3 LYS A 251 9.172 -4.839 25.647 1.00 0.00 H new ATOM 0 HG2 LYS A 251 7.625 -4.198 28.109 1.00 0.00 H new ATOM 0 HG3 LYS A 251 9.024 -5.210 28.409 1.00 0.00 H new ATOM 0 HD2 LYS A 251 9.206 -2.696 26.685 1.00 0.00 H new ATOM 0 HD3 LYS A 251 9.407 -2.635 28.425 1.00 0.00 H new ATOM 0 HE2 LYS A 251 10.986 -4.794 27.112 1.00 0.00 H new ATOM 0 HE3 LYS A 251 11.446 -3.180 26.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 12.662 -3.861 28.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 11.658 -2.541 28.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 11.212 -4.105 29.437 1.00 0.00 H new ATOM 471 N LYS A 252 7.064 -2.789 24.470 1.00 0.00 N ATOM 472 CA LYS A 252 6.956 -1.354 24.236 1.00 0.00 C ATOM 473 C LYS A 252 5.516 -0.972 23.905 1.00 0.00 C ATOM 474 O LYS A 252 5.097 0.163 24.132 1.00 0.00 O ATOM 475 CB LYS A 252 7.873 -0.942 23.082 1.00 0.00 C ATOM 476 CG LYS A 252 9.307 -0.791 23.592 1.00 0.00 C ATOM 477 CD LYS A 252 9.584 0.679 23.913 1.00 0.00 C ATOM 478 CE LYS A 252 10.763 0.776 24.885 1.00 0.00 C ATOM 479 NZ LYS A 252 11.122 2.208 25.086 1.00 0.00 N1+ ATOM 0 H LYS A 252 7.293 -3.339 23.642 1.00 0.00 H new ATOM 0 HA LYS A 252 7.259 -0.833 25.144 1.00 0.00 H new ATOM 0 HB2 LYS A 252 7.835 -1.690 22.290 1.00 0.00 H new ATOM 0 HB3 LYS A 252 7.530 -0.002 22.650 1.00 0.00 H new ATOM 0 HG2 LYS A 252 9.453 -1.402 24.483 1.00 0.00 H new ATOM 0 HG3 LYS A 252 10.011 -1.149 22.840 1.00 0.00 H new ATOM 0 HD2 LYS A 252 9.808 1.226 22.997 1.00 0.00 H new ATOM 0 HD3 LYS A 252 8.699 1.140 24.351 1.00 0.00 H new ATOM 0 HE2 LYS A 252 10.501 0.318 25.839 1.00 0.00 H new ATOM 0 HE3 LYS A 252 11.619 0.227 24.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 11.923 2.276 25.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 11.388 2.630 24.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 10.306 2.719 25.479 1.00 0.00 H new ATOM 493 N LYS A 253 4.765 -1.927 23.366 1.00 0.00 N ATOM 494 CA LYS A 253 3.373 -1.681 23.007 1.00 0.00 C ATOM 495 C LYS A 253 2.598 -1.144 24.206 1.00 0.00 C ATOM 496 O LYS A 253 2.160 0.007 24.204 1.00 0.00 O ATOM 497 CB LYS A 253 2.724 -2.975 22.515 1.00 0.00 C ATOM 498 CG LYS A 253 3.182 -3.264 21.085 1.00 0.00 C ATOM 499 CD LYS A 253 2.122 -2.767 20.100 1.00 0.00 C ATOM 500 CE LYS A 253 2.698 -2.774 18.682 1.00 0.00 C ATOM 501 NZ LYS A 253 1.589 -2.639 17.696 1.00 0.00 N1+ ATOM 0 H LYS A 253 5.094 -2.872 23.169 1.00 0.00 H new ATOM 0 HA LYS A 253 3.348 -0.938 22.210 1.00 0.00 H new ATOM 0 HB2 LYS A 253 2.997 -3.803 23.170 1.00 0.00 H new ATOM 0 HB3 LYS A 253 1.638 -2.886 22.549 1.00 0.00 H new ATOM 0 HG2 LYS A 253 4.134 -2.771 20.890 1.00 0.00 H new ATOM 0 HG3 LYS A 253 3.344 -4.334 20.953 1.00 0.00 H new ATOM 0 HD2 LYS A 253 1.239 -3.404 20.148 1.00 0.00 H new ATOM 0 HD3 LYS A 253 1.804 -1.760 20.370 1.00 0.00 H new ATOM 0 HE2 LYS A 253 3.408 -1.955 18.562 1.00 0.00 H new ATOM 0 HE3 LYS A 253 3.246 -3.699 18.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 1.979 -2.644 16.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 0.928 -3.434 17.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 1.085 -1.745 17.861 1.00 0.00 H new HETATM 515 N NH2 A 254 2.400 -1.915 25.240 1.00 0.00 N TER 518 NH2 A 254