USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 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 Set 1.1: A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0969) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.12) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -3.61! C(o=-3.6!,f=-8.9!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.054 (180deg=-0.759) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -30:sc= 0.782 USER MOD Single : A 34 CYS SG : rot 34:sc= -0.657 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= -0.156 (180deg=-1.11) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -1.46 (180deg=-2.13) USER MOD Single : A 43 THR OG1 : rot -75:sc= -3.92! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.0194 (180deg=-0.227) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -1.79 (180deg=-2.31) USER MOD Single : A 56 LYS NZ :NH3+ 136:sc= -3.48! (180deg=-6.12!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 94:sc= 0.828 USER MOD Single : A 62 MET CE :methyl -155:sc= -0.834 (180deg=-1.23) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -108:sc= -1.99 (180deg=-4.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -6.889 -0.511 7.274 1.00 0.00 N ATOM 144 CA ASN A 12 -7.881 -0.233 6.240 1.00 0.00 C ATOM 145 C ASN A 12 -7.306 0.723 5.196 1.00 0.00 C ATOM 146 O ASN A 12 -6.841 0.291 4.143 1.00 0.00 O ATOM 147 CB ASN A 12 -9.149 0.370 6.854 1.00 0.00 C ATOM 148 CG ASN A 12 -9.601 -0.456 8.053 1.00 0.00 C ATOM 149 OD1 ASN A 12 -9.309 -0.104 9.195 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.298 -1.541 7.859 1.00 0.00 N ATOM 0 HA ASN A 12 -8.141 -1.175 5.756 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.958 1.398 7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.942 0.404 6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.603 -2.101 8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.538 -1.830 6.911 1.00 0.00 H new ATOM 157 N LEU A 13 -7.338 2.025 5.496 1.00 0.00 N ATOM 158 CA LEU A 13 -6.821 3.045 4.576 1.00 0.00 C ATOM 159 C LEU A 13 -5.793 3.926 5.279 1.00 0.00 C ATOM 160 O LEU A 13 -5.889 5.154 5.240 1.00 0.00 O ATOM 161 CB LEU A 13 -7.967 3.927 4.073 1.00 0.00 C ATOM 162 CG LEU A 13 -9.135 3.061 3.586 1.00 0.00 C ATOM 163 CD1 LEU A 13 -10.338 3.957 3.280 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.727 2.305 2.315 1.00 0.00 C ATOM 0 H LEU A 13 -7.716 2.398 6.367 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.348 2.537 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.304 4.587 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.615 4.564 3.261 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.399 2.343 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.170 3.344 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.633 4.491 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.069 4.675 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.560 1.691 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.460 3.020 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.871 1.666 2.531 1.00 0.00 H new ATOM 176 N ALA A 14 -4.812 3.301 5.920 1.00 0.00 N ATOM 177 CA ALA A 14 -3.778 4.051 6.626 1.00 0.00 C ATOM 178 C ALA A 14 -4.405 5.146 7.484 1.00 0.00 C ATOM 179 O ALA A 14 -5.407 4.919 8.161 1.00 0.00 O ATOM 180 CB ALA A 14 -2.805 4.675 5.623 1.00 0.00 C ATOM 0 H ALA A 14 -4.710 2.287 5.966 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.234 3.364 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.037 5.233 6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.336 3.888 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.348 5.350 4.961 1.00 0.00 H new ATOM 186 N ASN A 15 -3.809 6.335 7.452 1.00 0.00 N ATOM 187 CA ASN A 15 -4.323 7.454 8.233 1.00 0.00 C ATOM 188 C ASN A 15 -3.757 8.776 7.721 1.00 0.00 C ATOM 189 O ASN A 15 -4.232 9.321 6.724 1.00 0.00 O ATOM 190 CB ASN A 15 -3.957 7.271 9.708 1.00 0.00 C ATOM 191 CG ASN A 15 -2.500 6.841 9.836 1.00 0.00 C ATOM 192 OD1 ASN A 15 -1.721 6.997 8.896 1.00 0.00 O ATOM 193 ND2 ASN A 15 -2.082 6.308 10.952 1.00 0.00 N ATOM 0 H ASN A 15 -2.978 6.547 6.899 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.408 7.478 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.118 8.203 10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.607 6.523 10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.108 6.020 11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.729 6.180 11.730 1.00 0.00 H new ATOM 200 N ARG A 16 -2.745 9.289 8.413 1.00 0.00 N ATOM 201 CA ARG A 16 -2.130 10.551 8.024 1.00 0.00 C ATOM 202 C ARG A 16 -1.654 10.500 6.572 1.00 0.00 C ATOM 203 O ARG A 16 -2.374 10.921 5.666 1.00 0.00 O ATOM 204 CB ARG A 16 -0.959 10.866 8.959 1.00 0.00 C ATOM 205 CG ARG A 16 -1.406 10.666 10.409 1.00 0.00 C ATOM 206 CD ARG A 16 -0.351 11.237 11.356 1.00 0.00 C ATOM 207 NE ARG A 16 -0.837 11.198 12.731 1.00 0.00 N ATOM 208 CZ ARG A 16 -0.936 10.050 13.392 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.597 8.932 12.812 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.375 10.041 14.621 1.00 0.00 N ATOM 0 H ARG A 16 -2.336 8.853 9.240 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.875 11.342 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.113 10.217 8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.623 11.892 8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.364 11.159 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.554 9.605 10.611 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.572 10.664 11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.116 12.263 11.074 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.105 12.067 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.256 8.939 11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.673 8.051 13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.642 10.915 15.074 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.451 9.160 15.129 1.00 0.00 H new ATOM 224 N LYS A 17 -0.448 9.979 6.349 1.00 0.00 N ATOM 225 CA LYS A 17 0.089 9.885 4.995 1.00 0.00 C ATOM 226 C LYS A 17 1.398 9.103 4.979 1.00 0.00 C ATOM 227 O LYS A 17 1.680 8.323 5.890 1.00 0.00 O ATOM 228 CB LYS A 17 0.332 11.284 4.425 1.00 0.00 C ATOM 229 CG LYS A 17 1.456 11.970 5.205 1.00 0.00 C ATOM 230 CD LYS A 17 1.458 13.470 4.887 1.00 0.00 C ATOM 231 CE LYS A 17 2.787 14.086 5.332 1.00 0.00 C ATOM 232 NZ LYS A 17 3.233 13.441 6.598 1.00 0.00 N ATOM 0 H LYS A 17 0.168 9.620 7.079 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.643 9.360 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.597 11.216 3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.581 11.876 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.318 11.815 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.418 11.530 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.313 13.626 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.629 13.961 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.541 13.950 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.671 15.160 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.946 14.040 7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.418 13.321 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.647 12.511 6.387 1.00 0.00 H new ATOM 246 N ILE A 18 2.195 9.320 3.931 1.00 0.00 N ATOM 247 CA ILE A 18 3.482 8.636 3.779 1.00 0.00 C ATOM 248 C ILE A 18 4.507 9.612 3.172 1.00 0.00 C ATOM 249 O ILE A 18 4.182 10.318 2.217 1.00 0.00 O ATOM 250 CB ILE A 18 3.283 7.408 2.849 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.758 6.202 3.661 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.579 7.022 2.112 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.898 5.454 4.374 1.00 0.00 C ATOM 0 H ILE A 18 1.972 9.965 3.173 1.00 0.00 H new ATOM 0 HA ILE A 18 3.853 8.299 4.747 1.00 0.00 H new ATOM 0 HB ILE A 18 2.547 7.689 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.033 6.548 4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.234 5.516 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.391 6.159 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.913 7.860 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.351 6.774 2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.488 4.613 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.609 5.085 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.406 6.133 5.059 1.00 0.00 H new ATOM 265 N PRO A 19 5.728 9.678 3.675 1.00 0.00 N ATOM 266 CA PRO A 19 6.758 10.606 3.107 1.00 0.00 C ATOM 267 C PRO A 19 7.064 10.271 1.644 1.00 0.00 C ATOM 268 O PRO A 19 7.211 9.103 1.282 1.00 0.00 O ATOM 269 CB PRO A 19 7.985 10.396 4.015 1.00 0.00 C ATOM 270 CG PRO A 19 7.781 9.053 4.633 1.00 0.00 C ATOM 271 CD PRO A 19 6.278 8.908 4.813 1.00 0.00 C ATOM 0 HA PRO A 19 6.429 11.645 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.911 10.430 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.052 11.174 4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.177 8.264 3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.299 8.979 5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.967 7.864 4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.946 9.310 5.770 1.00 0.00 H new ATOM 279 N LEU A 20 7.139 11.304 0.808 1.00 0.00 N ATOM 280 CA LEU A 20 7.405 11.111 -0.617 1.00 0.00 C ATOM 281 C LEU A 20 8.856 10.676 -0.864 1.00 0.00 C ATOM 282 O LEU A 20 9.151 10.024 -1.866 1.00 0.00 O ATOM 283 CB LEU A 20 7.114 12.423 -1.381 1.00 0.00 C ATOM 284 CG LEU A 20 5.644 12.468 -1.818 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.737 12.367 -0.592 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.370 13.784 -2.547 1.00 0.00 C ATOM 0 H LEU A 20 7.020 12.277 1.089 1.00 0.00 H new ATOM 0 HA LEU A 20 6.751 10.318 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.338 13.280 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.763 12.495 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 20 5.441 11.631 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.694 12.399 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.930 11.428 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.939 13.201 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.326 13.817 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.576 14.620 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.012 13.854 -3.425 1.00 0.00 H new ATOM 298 N GLN A 21 9.757 11.057 0.035 1.00 0.00 N ATOM 299 CA GLN A 21 11.172 10.717 -0.119 1.00 0.00 C ATOM 300 C GLN A 21 11.405 9.204 -0.087 1.00 0.00 C ATOM 301 O GLN A 21 12.325 8.701 -0.731 1.00 0.00 O ATOM 302 CB GLN A 21 11.990 11.383 0.993 1.00 0.00 C ATOM 303 CG GLN A 21 11.271 11.212 2.330 1.00 0.00 C ATOM 304 CD GLN A 21 12.195 11.616 3.474 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.056 10.837 3.883 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.067 12.796 4.019 1.00 0.00 N ATOM 0 H GLN A 21 9.538 11.597 0.872 1.00 0.00 H new ATOM 0 HA GLN A 21 11.494 11.085 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.984 10.938 1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.125 12.442 0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.368 11.823 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.957 10.176 2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.353 13.440 3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.681 13.073 4.785 1.00 0.00 H new ATOM 315 N ARG A 22 10.582 8.484 0.672 1.00 0.00 N ATOM 316 CA ARG A 22 10.726 7.029 0.789 1.00 0.00 C ATOM 317 C ARG A 22 9.801 6.309 -0.189 1.00 0.00 C ATOM 318 O ARG A 22 9.974 5.124 -0.472 1.00 0.00 O ATOM 319 CB ARG A 22 10.397 6.603 2.226 1.00 0.00 C ATOM 320 CG ARG A 22 11.469 7.154 3.199 1.00 0.00 C ATOM 321 CD ARG A 22 10.830 7.543 4.541 1.00 0.00 C ATOM 322 NE ARG A 22 11.827 7.492 5.606 1.00 0.00 N ATOM 323 CZ ARG A 22 11.488 7.692 6.875 1.00 0.00 C ATOM 324 NH1 ARG A 22 10.246 7.942 7.187 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.398 7.640 7.808 1.00 0.00 N ATOM 0 H ARG A 22 9.812 8.878 1.213 1.00 0.00 H new ATOM 0 HA ARG A 22 11.754 6.757 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.412 6.975 2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.358 5.516 2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.241 6.402 3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.958 8.022 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.409 8.546 4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.007 6.866 4.770 1.00 0.00 H new ATOM 0 HE ARG A 22 12.801 7.299 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.535 7.984 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.986 8.095 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.369 7.446 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.139 7.793 8.782 1.00 0.00 H new ATOM 339 N LEU A 23 8.820 7.041 -0.696 1.00 0.00 N ATOM 340 CA LEU A 23 7.854 6.491 -1.642 1.00 0.00 C ATOM 341 C LEU A 23 8.549 6.107 -2.950 1.00 0.00 C ATOM 342 O LEU A 23 9.259 6.916 -3.547 1.00 0.00 O ATOM 343 CB LEU A 23 6.767 7.567 -1.873 1.00 0.00 C ATOM 344 CG LEU A 23 5.694 7.186 -2.928 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.155 7.573 -4.352 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.331 5.690 -2.854 1.00 0.00 C ATOM 0 H LEU A 23 8.670 8.024 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 23 7.397 5.583 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.269 7.771 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.251 8.493 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 23 4.793 7.754 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.385 7.295 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.325 8.649 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.080 7.048 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.577 5.461 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.222 5.090 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.937 5.460 -1.864 1.00 0.00 H new ATOM 358 N GLU A 24 8.326 4.871 -3.398 1.00 0.00 N ATOM 359 CA GLU A 24 8.910 4.382 -4.647 1.00 0.00 C ATOM 360 C GLU A 24 7.869 4.433 -5.768 1.00 0.00 C ATOM 361 O GLU A 24 8.090 5.056 -6.807 1.00 0.00 O ATOM 362 CB GLU A 24 9.397 2.942 -4.465 1.00 0.00 C ATOM 363 CG GLU A 24 9.836 2.368 -5.815 1.00 0.00 C ATOM 364 CD GLU A 24 10.626 1.081 -5.602 1.00 0.00 C ATOM 365 OE1 GLU A 24 10.002 0.050 -5.416 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.845 1.146 -5.629 1.00 0.00 O ATOM 0 H GLU A 24 7.743 4.189 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 24 9.754 5.018 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.229 2.916 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.601 2.330 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.963 2.170 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.448 3.096 -6.348 1.00 0.00 H new ATOM 373 N SER A 25 6.732 3.770 -5.548 1.00 0.00 N ATOM 374 CA SER A 25 5.661 3.743 -6.545 1.00 0.00 C ATOM 375 C SER A 25 4.326 3.379 -5.892 1.00 0.00 C ATOM 376 O SER A 25 4.263 3.143 -4.686 1.00 0.00 O ATOM 377 CB SER A 25 5.992 2.722 -7.633 1.00 0.00 C ATOM 378 OG SER A 25 5.154 2.947 -8.758 1.00 0.00 O ATOM 0 H SER A 25 6.530 3.248 -4.695 1.00 0.00 H new ATOM 0 HA SER A 25 5.576 4.735 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.039 2.808 -7.922 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.848 1.710 -7.254 1.00 0.00 H new ATOM 0 HG SER A 25 5.365 2.295 -9.459 1.00 0.00 H new ATOM 384 N TYR A 26 3.258 3.323 -6.698 1.00 0.00 N ATOM 385 CA TYR A 26 1.922 2.972 -6.188 1.00 0.00 C ATOM 386 C TYR A 26 1.314 1.841 -7.016 1.00 0.00 C ATOM 387 O TYR A 26 1.830 1.487 -8.076 1.00 0.00 O ATOM 388 CB TYR A 26 0.988 4.191 -6.218 1.00 0.00 C ATOM 389 CG TYR A 26 0.651 4.549 -7.649 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.585 5.229 -8.439 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.595 4.199 -8.184 1.00 0.00 C ATOM 392 CE1 TYR A 26 1.274 5.558 -9.764 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.906 4.529 -9.510 1.00 0.00 C ATOM 394 CZ TYR A 26 0.028 5.208 -10.299 1.00 0.00 C ATOM 395 OH TYR A 26 -0.278 5.531 -11.605 1.00 0.00 O ATOM 0 H TYR A 26 3.290 3.514 -7.699 1.00 0.00 H new ATOM 0 HA TYR A 26 2.034 2.640 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.075 3.974 -5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.466 5.038 -5.725 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.546 5.500 -8.027 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.316 3.675 -7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.995 6.082 -10.374 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.867 4.259 -9.923 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.181 5.215 -11.817 1.00 0.00 H new ATOM 405 N ARG A 27 0.212 1.279 -6.524 1.00 0.00 N ATOM 406 CA ARG A 27 -0.462 0.190 -7.225 1.00 0.00 C ATOM 407 C ARG A 27 -1.853 -0.045 -6.638 1.00 0.00 C ATOM 408 O ARG A 27 -2.083 0.188 -5.452 1.00 0.00 O ATOM 409 CB ARG A 27 0.361 -1.101 -7.107 1.00 0.00 C ATOM 410 CG ARG A 27 -0.106 -2.136 -8.163 1.00 0.00 C ATOM 411 CD ARG A 27 -0.072 -3.549 -7.569 1.00 0.00 C ATOM 412 NE ARG A 27 1.260 -3.849 -7.057 1.00 0.00 N ATOM 413 CZ ARG A 27 1.505 -4.980 -6.405 1.00 0.00 C ATOM 414 NH1 ARG A 27 0.546 -5.845 -6.213 1.00 0.00 N ATOM 415 NH2 ARG A 27 2.706 -5.226 -5.956 1.00 0.00 N ATOM 0 H ARG A 27 -0.230 1.558 -5.648 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.559 0.467 -8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.419 -0.880 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.253 -1.519 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.116 -1.897 -8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.538 -2.087 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.805 -3.632 -6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.349 -4.278 -8.330 1.00 0.00 H new ATOM 0 HE ARG A 27 2.016 -3.180 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.392 -5.652 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.735 -6.713 -5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.455 -4.550 -6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.895 -6.094 -5.455 1.00 0.00 H new ATOM 429 N ARG A 28 -2.780 -0.512 -7.474 1.00 0.00 N ATOM 430 CA ARG A 28 -4.147 -0.777 -7.023 1.00 0.00 C ATOM 431 C ARG A 28 -4.241 -2.180 -6.417 1.00 0.00 C ATOM 432 O ARG A 28 -3.405 -3.042 -6.690 1.00 0.00 O ATOM 433 CB ARG A 28 -5.126 -0.627 -8.217 1.00 0.00 C ATOM 434 CG ARG A 28 -6.238 0.381 -7.883 1.00 0.00 C ATOM 435 CD ARG A 28 -7.280 0.382 -9.003 1.00 0.00 C ATOM 436 NE ARG A 28 -8.315 1.372 -8.728 1.00 0.00 N ATOM 437 CZ ARG A 28 -9.292 1.606 -9.598 1.00 0.00 C ATOM 438 NH1 ARG A 28 -9.337 0.943 -10.722 1.00 0.00 N ATOM 439 NH2 ARG A 28 -10.206 2.496 -9.329 1.00 0.00 N ATOM 0 H ARG A 28 -2.612 -0.714 -8.460 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.420 -0.056 -6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.581 -0.296 -9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.566 -1.595 -8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.708 0.119 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.815 1.379 -7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.800 0.603 -9.956 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.728 -0.608 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.289 1.894 -7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.623 0.246 -10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.087 1.122 -11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.171 3.013 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.956 2.675 -9.997 1.00 0.00 H new ATOM 453 N ILE A 29 -5.264 -2.398 -5.586 1.00 0.00 N ATOM 454 CA ILE A 29 -5.460 -3.699 -4.936 1.00 0.00 C ATOM 455 C ILE A 29 -6.476 -4.536 -5.716 1.00 0.00 C ATOM 456 O ILE A 29 -6.107 -5.482 -6.412 1.00 0.00 O ATOM 457 CB ILE A 29 -5.931 -3.501 -3.470 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.440 -2.137 -2.962 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.357 -4.615 -2.585 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.782 -1.972 -1.481 1.00 0.00 C ATOM 0 H ILE A 29 -5.965 -1.697 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.509 -4.232 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.020 -3.538 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.363 -2.053 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.902 -1.337 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.690 -4.471 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.704 -5.583 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.268 -4.583 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.429 -1.002 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.862 -2.035 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.299 -2.762 -0.906 1.00 0.00 H new ATOM 472 N THR A 30 -7.752 -4.181 -5.599 1.00 0.00 N ATOM 473 CA THR A 30 -8.808 -4.908 -6.300 1.00 0.00 C ATOM 474 C THR A 30 -8.566 -6.414 -6.236 1.00 0.00 C ATOM 475 O THR A 30 -7.751 -6.886 -5.443 1.00 0.00 O ATOM 476 CB THR A 30 -8.865 -4.462 -7.763 1.00 0.00 C ATOM 477 OG1 THR A 30 -7.851 -5.132 -8.499 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.644 -2.951 -7.848 1.00 0.00 C ATOM 0 H THR A 30 -8.079 -3.400 -5.030 1.00 0.00 H new ATOM 0 HA THR A 30 -9.757 -4.686 -5.812 1.00 0.00 H new ATOM 0 HB THR A 30 -9.842 -4.707 -8.180 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.091 -5.323 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.685 -2.635 -8.891 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.421 -2.437 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.668 -2.702 -7.432 1.00 0.00 H new ATOM 526 N CYS A 34 -10.041 -5.935 -0.627 1.00 0.00 N ATOM 527 CA CYS A 34 -9.700 -4.812 0.238 1.00 0.00 C ATOM 528 C CYS A 34 -10.757 -3.711 0.111 1.00 0.00 C ATOM 529 O CYS A 34 -11.400 -3.588 -0.932 1.00 0.00 O ATOM 530 CB CYS A 34 -8.316 -4.271 -0.137 1.00 0.00 C ATOM 531 SG CYS A 34 -7.048 -5.304 0.639 1.00 0.00 S ATOM 0 HA CYS A 34 -9.676 -5.151 1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.192 -4.273 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.214 -3.237 0.194 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.458 -6.537 0.680 1.00 0.00 H new ATOM 536 N PRO A 35 -10.955 -2.912 1.139 1.00 0.00 N ATOM 537 CA PRO A 35 -11.960 -1.814 1.114 1.00 0.00 C ATOM 538 C PRO A 35 -12.063 -1.152 -0.257 1.00 0.00 C ATOM 539 O PRO A 35 -11.234 -0.315 -0.614 1.00 0.00 O ATOM 540 CB PRO A 35 -11.428 -0.842 2.165 1.00 0.00 C ATOM 541 CG PRO A 35 -10.767 -1.715 3.188 1.00 0.00 C ATOM 542 CD PRO A 35 -10.250 -2.958 2.436 1.00 0.00 C ATOM 0 HA PRO A 35 -12.971 -2.166 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.721 -0.136 1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.234 -0.255 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.947 -1.188 3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.472 -2.000 3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.169 -2.923 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.475 -3.875 2.980 1.00 0.00 H new ATOM 550 N GLN A 36 -13.088 -1.538 -1.017 1.00 0.00 N ATOM 551 CA GLN A 36 -13.312 -0.989 -2.357 1.00 0.00 C ATOM 552 C GLN A 36 -11.988 -0.740 -3.081 1.00 0.00 C ATOM 553 O GLN A 36 -10.959 -1.312 -2.724 1.00 0.00 O ATOM 554 CB GLN A 36 -14.124 0.313 -2.266 1.00 0.00 C ATOM 555 CG GLN A 36 -13.398 1.342 -1.393 1.00 0.00 C ATOM 556 CD GLN A 36 -14.065 2.706 -1.536 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.812 3.423 -2.504 1.00 0.00 O ATOM 558 NE2 GLN A 36 -14.907 3.108 -0.625 1.00 0.00 N ATOM 0 H GLN A 36 -13.779 -2.231 -0.728 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.877 -1.721 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.280 0.721 -3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.109 0.105 -1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.417 1.025 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.350 1.407 -1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.115 2.512 0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.358 4.019 -0.714 1.00 0.00 H new ATOM 567 N LYS A 37 -12.022 0.114 -4.099 1.00 0.00 N ATOM 568 CA LYS A 37 -10.817 0.424 -4.858 1.00 0.00 C ATOM 569 C LYS A 37 -9.885 1.306 -4.033 1.00 0.00 C ATOM 570 O LYS A 37 -10.328 2.252 -3.382 1.00 0.00 O ATOM 571 CB LYS A 37 -11.188 1.140 -6.160 1.00 0.00 C ATOM 572 CG LYS A 37 -12.418 0.474 -6.780 1.00 0.00 C ATOM 573 CD LYS A 37 -12.138 -1.015 -7.001 1.00 0.00 C ATOM 574 CE LYS A 37 -13.194 -1.599 -7.943 1.00 0.00 C ATOM 575 NZ LYS A 37 -13.101 -0.929 -9.270 1.00 0.00 N ATOM 0 H LYS A 37 -12.862 0.599 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.304 -0.508 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.393 2.192 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.352 1.103 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.281 0.599 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.665 0.953 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.143 -1.150 -7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.153 -1.544 -6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.043 -2.673 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.190 -1.459 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.415 -1.585 -10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.708 -0.084 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.116 -0.649 -9.449 1.00 0.00 H new ATOM 589 N ALA A 38 -8.594 0.990 -4.062 1.00 0.00 N ATOM 590 CA ALA A 38 -7.610 1.763 -3.308 1.00 0.00 C ATOM 591 C ALA A 38 -6.221 1.608 -3.928 1.00 0.00 C ATOM 592 O ALA A 38 -5.967 0.668 -4.678 1.00 0.00 O ATOM 593 CB ALA A 38 -7.610 1.303 -1.831 1.00 0.00 C ATOM 0 H ALA A 38 -8.206 0.211 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.877 2.819 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.875 1.881 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.599 1.459 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.355 0.244 -1.780 1.00 0.00 H new ATOM 599 N VAL A 39 -5.322 2.539 -3.599 1.00 0.00 N ATOM 600 CA VAL A 39 -3.950 2.505 -4.109 1.00 0.00 C ATOM 601 C VAL A 39 -2.990 2.183 -2.966 1.00 0.00 C ATOM 602 O VAL A 39 -3.256 2.517 -1.811 1.00 0.00 O ATOM 603 CB VAL A 39 -3.596 3.849 -4.757 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.727 4.265 -5.704 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.407 4.921 -3.680 1.00 0.00 C ATOM 0 H VAL A 39 -5.520 3.326 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.863 1.729 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.666 3.744 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.481 5.220 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.851 3.507 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.655 4.364 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.156 5.871 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.330 5.031 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.600 4.625 -3.009 1.00 0.00 H new ATOM 615 N ILE A 40 -1.892 1.501 -3.287 1.00 0.00 N ATOM 616 CA ILE A 40 -0.910 1.096 -2.276 1.00 0.00 C ATOM 617 C ILE A 40 0.455 1.737 -2.534 1.00 0.00 C ATOM 618 O ILE A 40 1.183 1.316 -3.431 1.00 0.00 O ATOM 619 CB ILE A 40 -0.790 -0.443 -2.303 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.014 -1.055 -1.613 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.481 -0.918 -1.587 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.054 -2.561 -1.876 1.00 0.00 C ATOM 0 H ILE A 40 -1.658 1.216 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.246 1.434 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.737 -0.764 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.972 -0.864 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.925 -0.587 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.535 -2.006 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.356 -0.494 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.457 -0.591 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.925 -2.993 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.116 -2.741 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.149 -3.023 -1.482 1.00 0.00 H new ATOM 634 N PHE A 41 0.808 2.733 -1.720 1.00 0.00 N ATOM 635 CA PHE A 41 2.105 3.389 -1.859 1.00 0.00 C ATOM 636 C PHE A 41 3.166 2.538 -1.173 1.00 0.00 C ATOM 637 O PHE A 41 3.091 2.292 0.031 1.00 0.00 O ATOM 638 CB PHE A 41 2.075 4.782 -1.221 1.00 0.00 C ATOM 639 CG PHE A 41 0.988 5.604 -1.868 1.00 0.00 C ATOM 640 CD1 PHE A 41 1.174 6.140 -3.151 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.206 5.832 -1.184 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.161 6.903 -3.742 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.214 6.592 -1.773 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.033 7.130 -3.053 1.00 0.00 C ATOM 0 H PHE A 41 0.222 3.098 -0.969 1.00 0.00 H new ATOM 0 HA PHE A 41 2.338 3.498 -2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.895 4.700 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.040 5.272 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.098 5.964 -3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.349 5.419 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.302 7.316 -4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.137 6.767 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.816 7.720 -3.507 1.00 0.00 H new ATOM 654 N LYS A 42 4.150 2.077 -1.942 1.00 0.00 N ATOM 655 CA LYS A 42 5.215 1.239 -1.389 1.00 0.00 C ATOM 656 C LYS A 42 6.465 2.063 -1.115 1.00 0.00 C ATOM 657 O LYS A 42 6.808 2.970 -1.875 1.00 0.00 O ATOM 658 CB LYS A 42 5.544 0.105 -2.361 1.00 0.00 C ATOM 659 CG LYS A 42 5.677 0.660 -3.780 1.00 0.00 C ATOM 660 CD LYS A 42 6.353 -0.382 -4.675 1.00 0.00 C ATOM 661 CE LYS A 42 5.580 -1.700 -4.601 1.00 0.00 C ATOM 662 NZ LYS A 42 4.117 -1.419 -4.647 1.00 0.00 N ATOM 0 H LYS A 42 4.233 2.266 -2.941 1.00 0.00 H new ATOM 0 HA LYS A 42 4.866 0.818 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.472 -0.383 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.761 -0.652 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.694 0.913 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.262 1.580 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.386 -0.025 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.384 -0.535 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.863 -2.348 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.831 -2.230 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.620 -2.232 -5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.765 -1.254 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.944 -0.574 -5.228 1.00 0.00 H new ATOM 676 N THR A 43 7.141 1.736 -0.018 1.00 0.00 N ATOM 677 CA THR A 43 8.361 2.439 0.373 1.00 0.00 C ATOM 678 C THR A 43 9.316 1.469 1.065 1.00 0.00 C ATOM 679 O THR A 43 8.907 0.403 1.526 1.00 0.00 O ATOM 680 CB THR A 43 8.026 3.618 1.316 1.00 0.00 C ATOM 681 OG1 THR A 43 8.970 3.662 2.377 1.00 0.00 O ATOM 682 CG2 THR A 43 6.619 3.449 1.901 1.00 0.00 C ATOM 0 H THR A 43 6.865 0.988 0.618 1.00 0.00 H new ATOM 0 HA THR A 43 8.840 2.837 -0.521 1.00 0.00 H new ATOM 0 HB THR A 43 8.066 4.545 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.777 2.945 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.397 4.286 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.889 3.423 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.569 2.518 2.465 1.00 0.00 H new ATOM 690 N LYS A 44 10.590 1.839 1.123 1.00 0.00 N ATOM 691 CA LYS A 44 11.595 0.990 1.751 1.00 0.00 C ATOM 692 C LYS A 44 11.423 0.968 3.267 1.00 0.00 C ATOM 693 O LYS A 44 12.406 0.933 4.009 1.00 0.00 O ATOM 694 CB LYS A 44 12.996 1.496 1.404 1.00 0.00 C ATOM 695 CG LYS A 44 13.084 2.997 1.697 1.00 0.00 C ATOM 696 CD LYS A 44 14.552 3.430 1.728 1.00 0.00 C ATOM 697 CE LYS A 44 15.172 3.248 0.340 1.00 0.00 C ATOM 698 NZ LYS A 44 16.455 4.001 0.268 1.00 0.00 N ATOM 0 H LYS A 44 10.950 2.716 0.745 1.00 0.00 H new ATOM 0 HA LYS A 44 11.467 -0.024 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.743 0.957 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.213 1.307 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.545 3.559 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.609 3.220 2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.627 4.473 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.100 2.840 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.347 2.190 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.485 3.605 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.877 3.878 -0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.275 5.011 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.110 3.640 0.991 1.00 0.00 H new ATOM 712 N LEU A 45 10.174 0.982 3.726 1.00 0.00 N ATOM 713 CA LEU A 45 9.900 0.958 5.162 1.00 0.00 C ATOM 714 C LEU A 45 10.038 -0.474 5.692 1.00 0.00 C ATOM 715 O LEU A 45 11.078 -0.843 6.235 1.00 0.00 O ATOM 716 CB LEU A 45 8.472 1.511 5.438 1.00 0.00 C ATOM 717 CG LEU A 45 8.512 2.889 6.143 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.317 2.815 7.462 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.117 3.945 5.198 1.00 0.00 C ATOM 0 H LEU A 45 9.344 1.009 3.134 1.00 0.00 H new ATOM 0 HA LEU A 45 10.621 1.591 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.929 1.600 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.922 0.802 6.057 1.00 0.00 H new ATOM 0 HG LEU A 45 7.491 3.179 6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.329 3.796 7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.851 2.093 8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.339 2.503 7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.142 4.912 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.131 3.651 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.507 4.020 4.298 1.00 0.00 H new ATOM 731 N ALA A 46 8.985 -1.271 5.532 1.00 0.00 N ATOM 732 CA ALA A 46 9.010 -2.651 6.003 1.00 0.00 C ATOM 733 C ALA A 46 7.770 -3.411 5.536 1.00 0.00 C ATOM 734 O ALA A 46 7.698 -4.632 5.666 1.00 0.00 O ATOM 735 CB ALA A 46 9.077 -2.678 7.531 1.00 0.00 C ATOM 0 H ALA A 46 8.113 -0.988 5.085 1.00 0.00 H new ATOM 0 HA ALA A 46 9.893 -3.136 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.095 -3.712 7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.981 -2.168 7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.203 -2.174 7.942 1.00 0.00 H new ATOM 741 N LYS A 47 6.797 -2.684 4.996 1.00 0.00 N ATOM 742 CA LYS A 47 5.569 -3.312 4.519 1.00 0.00 C ATOM 743 C LYS A 47 4.805 -2.371 3.588 1.00 0.00 C ATOM 744 O LYS A 47 5.194 -1.220 3.390 1.00 0.00 O ATOM 745 CB LYS A 47 4.686 -3.711 5.716 1.00 0.00 C ATOM 746 CG LYS A 47 4.840 -2.686 6.844 1.00 0.00 C ATOM 747 CD LYS A 47 4.505 -1.287 6.323 1.00 0.00 C ATOM 748 CE LYS A 47 4.285 -0.338 7.504 1.00 0.00 C ATOM 749 NZ LYS A 47 2.954 -0.611 8.118 1.00 0.00 N ATOM 0 H LYS A 47 6.833 -1.671 4.878 1.00 0.00 H new ATOM 0 HA LYS A 47 5.833 -4.207 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.643 -3.769 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.968 -4.702 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.181 -2.943 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.859 -2.706 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.315 -0.919 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.610 -1.324 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.074 -0.472 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.337 0.697 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.653 0.214 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.257 -0.796 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.022 -1.442 8.740 1.00 0.00 H new ATOM 763 N ASP A 48 3.716 -2.878 3.012 1.00 0.00 N ATOM 764 CA ASP A 48 2.897 -2.090 2.094 1.00 0.00 C ATOM 765 C ASP A 48 1.884 -1.245 2.862 1.00 0.00 C ATOM 766 O ASP A 48 1.444 -1.620 3.949 1.00 0.00 O ATOM 767 CB ASP A 48 2.158 -3.015 1.128 1.00 0.00 C ATOM 768 CG ASP A 48 3.143 -3.639 0.145 1.00 0.00 C ATOM 769 OD1 ASP A 48 3.850 -2.891 -0.511 1.00 0.00 O ATOM 770 OD2 ASP A 48 3.177 -4.856 0.064 1.00 0.00 O ATOM 0 H ASP A 48 3.381 -3.829 3.165 1.00 0.00 H new ATOM 0 HA ASP A 48 3.556 -1.426 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.642 -3.798 1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.397 -2.454 0.586 1.00 0.00 H new ATOM 775 N ILE A 49 1.519 -0.099 2.286 1.00 0.00 N ATOM 776 CA ILE A 49 0.556 0.813 2.912 1.00 0.00 C ATOM 777 C ILE A 49 -0.745 0.846 2.111 1.00 0.00 C ATOM 778 O ILE A 49 -0.731 0.736 0.890 1.00 0.00 O ATOM 779 CB ILE A 49 1.147 2.229 2.970 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.631 2.168 3.369 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.368 3.078 3.979 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.801 1.526 4.752 1.00 0.00 C ATOM 0 H ILE A 49 1.875 0.222 1.386 1.00 0.00 H new ATOM 0 HA ILE A 49 0.346 0.457 3.921 1.00 0.00 H new ATOM 0 HB ILE A 49 1.067 2.686 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.188 1.595 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.051 3.174 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.793 4.081 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.677 3.137 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.433 2.621 4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.859 1.495 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.263 2.115 5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.402 0.512 4.734 1.00 0.00 H new ATOM 794 N CYS A 50 -1.871 1.012 2.803 1.00 0.00 N ATOM 795 CA CYS A 50 -3.174 1.070 2.135 1.00 0.00 C ATOM 796 C CYS A 50 -3.629 2.523 2.011 1.00 0.00 C ATOM 797 O CYS A 50 -3.201 3.380 2.785 1.00 0.00 O ATOM 798 CB CYS A 50 -4.205 0.269 2.939 1.00 0.00 C ATOM 799 SG CYS A 50 -3.415 -1.211 3.621 1.00 0.00 S ATOM 0 H CYS A 50 -1.910 1.108 3.818 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.084 0.638 1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.611 0.882 3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.042 -0.013 2.300 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.286 -1.892 4.305 1.00 0.00 H new ATOM 804 N ALA A 51 -4.486 2.806 1.032 1.00 0.00 N ATOM 805 CA ALA A 51 -4.962 4.173 0.837 1.00 0.00 C ATOM 806 C ALA A 51 -6.104 4.232 -0.179 1.00 0.00 C ATOM 807 O ALA A 51 -6.181 3.417 -1.093 1.00 0.00 O ATOM 808 CB ALA A 51 -3.794 5.049 0.364 1.00 0.00 C ATOM 0 H ALA A 51 -4.859 2.122 0.374 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.348 4.543 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.142 6.071 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.005 5.040 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.404 4.659 -0.576 1.00 0.00 H new ATOM 814 N ASP A 52 -6.983 5.221 -0.005 1.00 0.00 N ATOM 815 CA ASP A 52 -8.129 5.419 -0.898 1.00 0.00 C ATOM 816 C ASP A 52 -7.998 6.762 -1.638 1.00 0.00 C ATOM 817 O ASP A 52 -7.635 7.765 -1.023 1.00 0.00 O ATOM 818 CB ASP A 52 -9.412 5.438 -0.068 1.00 0.00 C ATOM 819 CG ASP A 52 -10.621 5.647 -0.973 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.613 6.606 -1.727 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.538 4.845 -0.899 1.00 0.00 O ATOM 0 H ASP A 52 -6.923 5.902 0.752 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.158 4.607 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.515 4.500 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.362 6.235 0.674 1.00 0.00 H new ATOM 826 N PRO A 53 -8.276 6.822 -2.928 1.00 0.00 N ATOM 827 CA PRO A 53 -8.167 8.098 -3.702 1.00 0.00 C ATOM 828 C PRO A 53 -9.234 9.112 -3.295 1.00 0.00 C ATOM 829 O PRO A 53 -10.065 9.523 -4.104 1.00 0.00 O ATOM 830 CB PRO A 53 -8.323 7.654 -5.166 1.00 0.00 C ATOM 831 CG PRO A 53 -9.114 6.390 -5.101 1.00 0.00 C ATOM 832 CD PRO A 53 -8.716 5.708 -3.790 1.00 0.00 C ATOM 0 HA PRO A 53 -7.224 8.614 -3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.838 8.412 -5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.353 7.489 -5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.184 6.598 -5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.896 5.749 -5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.555 5.170 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.917 4.983 -3.944 1.00 0.00 H new ATOM 840 N LYS A 54 -9.194 9.519 -2.027 1.00 0.00 N ATOM 841 CA LYS A 54 -10.148 10.496 -1.500 1.00 0.00 C ATOM 842 C LYS A 54 -9.427 11.475 -0.581 1.00 0.00 C ATOM 843 O LYS A 54 -9.819 12.635 -0.459 1.00 0.00 O ATOM 844 CB LYS A 54 -11.257 9.788 -0.708 1.00 0.00 C ATOM 845 CG LYS A 54 -12.188 9.000 -1.652 1.00 0.00 C ATOM 846 CD LYS A 54 -13.300 9.910 -2.192 1.00 0.00 C ATOM 847 CE LYS A 54 -13.957 9.251 -3.408 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.963 10.181 -3.994 1.00 0.00 N ATOM 0 H LYS A 54 -8.512 9.188 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.593 11.033 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.813 9.110 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.836 10.523 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.612 8.589 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.627 8.156 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.045 10.091 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.887 10.880 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.201 9.000 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.437 8.317 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.409 9.734 -4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.690 10.399 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.493 11.060 -4.289 1.00 0.00 H new ATOM 862 N LYS A 55 -8.362 10.997 0.060 1.00 0.00 N ATOM 863 CA LYS A 55 -7.577 11.835 0.967 1.00 0.00 C ATOM 864 C LYS A 55 -6.531 12.614 0.162 1.00 0.00 C ATOM 865 O LYS A 55 -5.938 12.088 -0.776 1.00 0.00 O ATOM 866 CB LYS A 55 -6.904 10.969 2.063 1.00 0.00 C ATOM 867 CG LYS A 55 -7.613 9.607 2.174 1.00 0.00 C ATOM 868 CD LYS A 55 -6.971 8.767 3.298 1.00 0.00 C ATOM 869 CE LYS A 55 -7.999 7.787 3.876 1.00 0.00 C ATOM 870 NZ LYS A 55 -8.857 7.260 2.778 1.00 0.00 N ATOM 0 H LYS A 55 -8.023 10.039 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.237 12.544 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.851 10.821 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.943 11.487 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.673 9.755 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.544 9.074 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.113 8.219 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.599 9.423 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.490 6.965 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.614 8.288 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.242 6.334 3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.640 7.921 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.289 7.157 1.913 1.00 0.00 H new ATOM 884 N LYS A 56 -6.340 13.875 0.518 1.00 0.00 N ATOM 885 CA LYS A 56 -5.399 14.740 -0.193 1.00 0.00 C ATOM 886 C LYS A 56 -4.043 14.074 -0.452 1.00 0.00 C ATOM 887 O LYS A 56 -3.587 14.028 -1.594 1.00 0.00 O ATOM 888 CB LYS A 56 -5.184 16.031 0.601 1.00 0.00 C ATOM 889 CG LYS A 56 -4.529 17.084 -0.299 1.00 0.00 C ATOM 890 CD LYS A 56 -3.973 18.224 0.561 1.00 0.00 C ATOM 891 CE LYS A 56 -5.076 18.772 1.473 1.00 0.00 C ATOM 892 NZ LYS A 56 -5.248 17.867 2.643 1.00 0.00 N ATOM 0 H LYS A 56 -6.822 14.326 1.295 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.843 14.952 -1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.137 16.402 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.553 15.836 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.727 16.631 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.258 17.474 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.137 17.865 1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.588 19.019 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.818 19.776 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.012 18.852 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.333 18.434 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.108 17.296 2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.423 17.238 2.720 1.00 0.00 H new ATOM 906 N TRP A 57 -3.380 13.598 0.600 1.00 0.00 N ATOM 907 CA TRP A 57 -2.058 12.992 0.427 1.00 0.00 C ATOM 908 C TRP A 57 -2.082 11.844 -0.575 1.00 0.00 C ATOM 909 O TRP A 57 -1.077 11.572 -1.232 1.00 0.00 O ATOM 910 CB TRP A 57 -1.495 12.505 1.770 1.00 0.00 C ATOM 911 CG TRP A 57 -2.138 11.217 2.191 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.312 11.122 2.857 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.661 9.847 2.003 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.587 9.787 3.092 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.601 8.963 2.586 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.519 9.288 1.392 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.416 7.580 2.566 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.332 7.895 1.371 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.277 7.045 1.957 1.00 0.00 C ATOM 0 H TRP A 57 -3.724 13.618 1.560 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.405 13.769 0.030 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.417 12.367 1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.661 13.264 2.534 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.933 11.953 3.156 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.418 9.452 3.580 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.217 9.935 0.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.148 6.927 3.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.546 7.478 0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.126 5.976 1.939 1.00 0.00 H new ATOM 930 N VAL A 58 -3.216 11.170 -0.695 1.00 0.00 N ATOM 931 CA VAL A 58 -3.308 10.061 -1.631 1.00 0.00 C ATOM 932 C VAL A 58 -3.327 10.575 -3.063 1.00 0.00 C ATOM 933 O VAL A 58 -2.510 10.167 -3.879 1.00 0.00 O ATOM 934 CB VAL A 58 -4.572 9.241 -1.353 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.747 8.154 -2.422 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.445 8.588 0.023 1.00 0.00 C ATOM 0 H VAL A 58 -4.068 11.365 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.434 9.423 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.441 9.898 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.649 7.579 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.834 8.620 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.883 7.490 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.340 8.001 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.572 7.935 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.332 9.361 0.783 1.00 0.00 H new ATOM 946 N GLN A 59 -4.264 11.470 -3.360 1.00 0.00 N ATOM 947 CA GLN A 59 -4.378 12.023 -4.706 1.00 0.00 C ATOM 948 C GLN A 59 -3.096 12.750 -5.112 1.00 0.00 C ATOM 949 O GLN A 59 -2.724 12.764 -6.285 1.00 0.00 O ATOM 950 CB GLN A 59 -5.571 12.992 -4.781 1.00 0.00 C ATOM 951 CG GLN A 59 -6.734 12.475 -3.910 1.00 0.00 C ATOM 952 CD GLN A 59 -8.067 13.008 -4.432 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.354 14.198 -4.305 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.903 12.193 -5.016 1.00 0.00 N ATOM 0 H GLN A 59 -4.950 11.826 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.539 11.196 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.266 13.982 -4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.900 13.096 -5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.744 11.385 -3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.590 12.788 -2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.665 11.207 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.795 12.542 -5.367 1.00 0.00 H new ATOM 963 N ASP A 60 -2.440 13.365 -4.138 1.00 0.00 N ATOM 964 CA ASP A 60 -1.213 14.112 -4.398 1.00 0.00 C ATOM 965 C ASP A 60 -0.032 13.184 -4.677 1.00 0.00 C ATOM 966 O ASP A 60 0.825 13.492 -5.506 1.00 0.00 O ATOM 967 CB ASP A 60 -0.883 14.986 -3.188 1.00 0.00 C ATOM 968 CG ASP A 60 0.134 16.057 -3.575 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.215 16.919 -4.365 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.244 15.999 -3.075 1.00 0.00 O ATOM 0 H ASP A 60 -2.735 13.363 -3.161 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.380 14.727 -5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.791 15.456 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.484 14.369 -2.382 1.00 0.00 H new ATOM 975 N SER A 61 0.027 12.067 -3.963 1.00 0.00 N ATOM 976 CA SER A 61 1.133 11.129 -4.126 1.00 0.00 C ATOM 977 C SER A 61 1.177 10.531 -5.534 1.00 0.00 C ATOM 978 O SER A 61 2.221 10.561 -6.186 1.00 0.00 O ATOM 979 CB SER A 61 1.020 10.013 -3.091 1.00 0.00 C ATOM 980 OG SER A 61 1.002 10.582 -1.788 1.00 0.00 O ATOM 0 H SER A 61 -0.670 11.789 -3.272 1.00 0.00 H new ATOM 0 HA SER A 61 2.060 11.682 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.112 9.435 -3.260 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.859 9.324 -3.188 1.00 0.00 H new ATOM 0 HG SER A 61 0.074 10.715 -1.502 1.00 0.00 H new ATOM 986 N MET A 62 0.056 9.989 -6.010 1.00 0.00 N ATOM 987 CA MET A 62 0.033 9.400 -7.350 1.00 0.00 C ATOM 988 C MET A 62 0.308 10.474 -8.397 1.00 0.00 C ATOM 989 O MET A 62 1.054 10.247 -9.350 1.00 0.00 O ATOM 990 CB MET A 62 -1.316 8.720 -7.632 1.00 0.00 C ATOM 991 CG MET A 62 -2.455 9.553 -7.049 1.00 0.00 C ATOM 992 SD MET A 62 -4.005 9.106 -7.866 1.00 0.00 S ATOM 993 CE MET A 62 -4.438 7.729 -6.774 1.00 0.00 C ATOM 0 H MET A 62 -0.828 9.945 -5.503 1.00 0.00 H new ATOM 0 HA MET A 62 0.813 8.640 -7.402 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.455 8.601 -8.707 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.326 7.721 -7.197 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.534 9.381 -5.976 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.251 10.615 -7.187 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.086 7.033 -7.306 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.530 7.213 -6.462 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.959 8.111 -5.896 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.289 11.646 -8.210 1.00 0.00 N ATOM 1004 CA LYS A 63 -0.084 12.746 -9.143 1.00 0.00 C ATOM 1005 C LYS A 63 1.398 13.107 -9.187 1.00 0.00 C ATOM 1006 O LYS A 63 1.982 13.275 -10.256 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.912 13.961 -8.704 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.544 15.201 -9.535 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.645 14.889 -11.032 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.617 16.194 -11.825 1.00 0.00 C ATOM 1011 NZ LYS A 63 0.718 16.838 -11.676 1.00 0.00 N ATOM 0 H LYS A 63 -0.912 11.857 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.407 12.443 -10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.974 13.743 -8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.739 14.162 -7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.210 16.026 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.469 15.523 -9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.181 14.247 -11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.566 14.344 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.822 15.997 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.398 16.865 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.797 17.631 -12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.826 17.192 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.464 16.141 -11.876 1.00 0.00 H new ATOM 1025 N TYR A 64 2.001 13.209 -8.009 1.00 0.00 N ATOM 1026 CA TYR A 64 3.416 13.536 -7.907 1.00 0.00 C ATOM 1027 C TYR A 64 4.239 12.511 -8.696 1.00 0.00 C ATOM 1028 O TYR A 64 5.221 12.858 -9.351 1.00 0.00 O ATOM 1029 CB TYR A 64 3.818 13.556 -6.411 1.00 0.00 C ATOM 1030 CG TYR A 64 5.232 13.037 -6.205 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.288 13.568 -6.956 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.479 12.025 -5.268 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.589 13.086 -6.770 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.781 11.545 -5.083 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.836 12.076 -5.834 1.00 0.00 C ATOM 1036 OH TYR A 64 9.119 11.602 -5.650 1.00 0.00 O ATOM 0 H TYR A 64 1.533 13.070 -7.113 1.00 0.00 H new ATOM 0 HA TYR A 64 3.612 14.520 -8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.744 14.573 -6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.119 12.947 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.099 14.349 -7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.665 11.615 -4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.403 13.494 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.971 10.765 -4.361 1.00 0.00 H new ATOM 0 HH TYR A 64 9.114 10.903 -4.963 1.00 0.00 H new ATOM 1046 N LEU A 65 3.831 11.250 -8.615 1.00 0.00 N ATOM 1047 CA LEU A 65 4.534 10.181 -9.314 1.00 0.00 C ATOM 1048 C LEU A 65 4.303 10.272 -10.820 1.00 0.00 C ATOM 1049 O LEU A 65 5.059 9.709 -11.610 1.00 0.00 O ATOM 1050 CB LEU A 65 4.057 8.819 -8.792 1.00 0.00 C ATOM 1051 CG LEU A 65 4.643 8.566 -7.378 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.773 7.549 -6.589 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.099 8.036 -7.499 1.00 0.00 C ATOM 0 H LEU A 65 3.021 10.944 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 65 5.602 10.288 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.968 8.794 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.371 8.028 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 65 4.644 9.510 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.206 7.389 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.761 7.941 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.741 6.602 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.506 7.860 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.101 7.103 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.713 8.773 -8.017 1.00 0.00 H new ATOM 1065 N ASP A 66 3.251 10.982 -11.206 1.00 0.00 N ATOM 1066 CA ASP A 66 2.923 11.144 -12.616 1.00 0.00 C ATOM 1067 C ASP A 66 3.937 12.055 -13.305 1.00 0.00 C ATOM 1068 O ASP A 66 4.237 11.887 -14.488 1.00 0.00 O ATOM 1069 CB ASP A 66 1.516 11.742 -12.748 1.00 0.00 C ATOM 1070 CG ASP A 66 0.929 11.423 -14.121 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.564 10.279 -14.336 1.00 0.00 O ATOM 1072 OD2 ASP A 66 0.854 12.327 -14.936 1.00 0.00 O ATOM 0 H ASP A 66 2.612 11.453 -10.565 1.00 0.00 H new ATOM 0 HA ASP A 66 2.954 10.167 -13.097 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.869 11.342 -11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.558 12.822 -12.605 1.00 0.00 H new ATOM 1077 N GLN A 67 4.450 13.027 -12.557 1.00 0.00 N ATOM 1078 CA GLN A 67 5.419 13.971 -13.102 1.00 0.00 C ATOM 1079 C GLN A 67 6.769 13.302 -13.345 1.00 0.00 C ATOM 1080 O GLN A 67 7.710 13.942 -13.814 1.00 0.00 O ATOM 1081 CB GLN A 67 5.591 15.146 -12.138 1.00 0.00 C ATOM 1082 CG GLN A 67 4.247 15.853 -11.955 1.00 0.00 C ATOM 1083 CD GLN A 67 3.829 16.527 -13.258 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.335 17.597 -13.594 1.00 0.00 O ATOM 1085 NE2 GLN A 67 2.930 15.960 -14.016 1.00 0.00 N ATOM 0 H GLN A 67 4.212 13.181 -11.577 1.00 0.00 H new ATOM 0 HA GLN A 67 5.042 14.331 -14.059 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.962 14.791 -11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.332 15.844 -12.527 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.488 15.134 -11.648 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.323 16.595 -11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.512 15.073 -13.735 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.646 16.404 -14.889 1.00 0.00 H new ATOM 1094 N LYS A 68 6.862 12.008 -13.031 1.00 0.00 N ATOM 1095 CA LYS A 68 8.108 11.261 -13.227 1.00 0.00 C ATOM 1096 C LYS A 68 7.815 9.868 -13.776 1.00 0.00 C ATOM 1097 O LYS A 68 6.658 9.500 -13.977 1.00 0.00 O ATOM 1098 CB LYS A 68 8.868 11.141 -11.901 1.00 0.00 C ATOM 1099 CG LYS A 68 7.996 10.419 -10.873 1.00 0.00 C ATOM 1100 CD LYS A 68 8.583 10.608 -9.468 1.00 0.00 C ATOM 1101 CE LYS A 68 9.936 9.894 -9.361 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.993 10.735 -9.989 1.00 0.00 N ATOM 0 H LYS A 68 6.096 11.458 -12.643 1.00 0.00 H new ATOM 0 HA LYS A 68 8.723 11.803 -13.946 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.798 10.594 -12.052 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.137 12.131 -11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.979 10.809 -10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.938 9.357 -11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.706 11.670 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.894 10.212 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.179 9.707 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.887 8.924 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.292 10.304 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.617 11.687 -10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.810 10.802 -9.349 1.00 0.00 H new ATOM 1116 N SER A 69 8.876 9.099 -14.021 1.00 0.00 N ATOM 1117 CA SER A 69 8.744 7.740 -14.555 1.00 0.00 C ATOM 1118 C SER A 69 9.226 6.713 -13.527 1.00 0.00 C ATOM 1119 O SER A 69 10.389 6.313 -13.549 1.00 0.00 O ATOM 1120 CB SER A 69 9.586 7.608 -15.824 1.00 0.00 C ATOM 1121 OG SER A 69 9.254 8.660 -16.720 1.00 0.00 O ATOM 0 H SER A 69 9.839 9.393 -13.858 1.00 0.00 H new ATOM 0 HA SER A 69 7.694 7.553 -14.781 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.647 7.647 -15.576 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.405 6.642 -16.296 1.00 0.00 H new ATOM 0 HG SER A 69 9.794 8.579 -17.534 1.00 0.00 H new ATOM 1127 N PRO A 70 8.368 6.282 -12.632 1.00 0.00 N ATOM 1128 CA PRO A 70 8.740 5.289 -11.588 1.00 0.00 C ATOM 1129 C PRO A 70 8.649 3.853 -12.104 1.00 0.00 C ATOM 1130 O PRO A 70 9.485 3.010 -11.775 1.00 0.00 O ATOM 1131 CB PRO A 70 7.713 5.556 -10.486 1.00 0.00 C ATOM 1132 CG PRO A 70 6.479 5.989 -11.217 1.00 0.00 C ATOM 1133 CD PRO A 70 6.954 6.684 -12.507 1.00 0.00 C ATOM 0 HA PRO A 70 9.772 5.392 -11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.528 4.662 -9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.059 6.329 -9.800 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.845 5.133 -11.449 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.885 6.669 -10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.371 6.364 -13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.852 7.767 -12.437 1.00 0.00 H new ATOM 1368 N ASP B 218 7.590 11.032 12.487 1.00 0.00 N ATOM 1369 CA ASP B 218 8.298 12.068 13.230 1.00 0.00 C ATOM 1370 C ASP B 218 9.299 11.446 14.196 1.00 0.00 C ATOM 1371 O ASP B 218 10.298 12.069 14.557 1.00 0.00 O ATOM 1372 CB ASP B 218 7.298 12.925 14.009 1.00 0.00 C ATOM 1373 CG ASP B 218 7.997 14.160 14.570 1.00 0.00 C ATOM 1374 OD1 ASP B 218 8.352 15.023 13.785 1.00 0.00 O ATOM 1375 OD2 ASP B 218 8.165 14.224 15.776 1.00 0.00 O ATOM 0 HA ASP B 218 8.838 12.694 12.520 1.00 0.00 H new ATOM 0 HB2 ASP B 218 6.478 13.226 13.357 1.00 0.00 H new ATOM 0 HB3 ASP B 218 6.862 12.343 14.821 1.00 0.00 H new ATOM 1380 N ASP B 219 9.026 10.214 14.612 1.00 0.00 N ATOM 1381 CA ASP B 219 9.911 9.517 15.537 1.00 0.00 C ATOM 1382 C ASP B 219 11.152 9.009 14.810 1.00 0.00 C ATOM 1383 O ASP B 219 12.219 8.870 15.408 1.00 0.00 O ATOM 1384 CB ASP B 219 9.174 8.339 16.178 1.00 0.00 C ATOM 1385 CG ASP B 219 8.144 8.851 17.178 1.00 0.00 C ATOM 1386 OD1 ASP B 219 8.511 9.654 18.020 1.00 0.00 O ATOM 1387 OD2 ASP B 219 7.002 8.433 17.088 1.00 0.00 O ATOM 0 H ASP B 219 8.205 9.681 14.326 1.00 0.00 H new ATOM 0 HA ASP B 219 10.220 10.217 16.313 1.00 0.00 H new ATOM 0 HB2 ASP B 219 8.682 7.745 15.408 1.00 0.00 H new ATOM 0 HB3 ASP B 219 9.886 7.684 16.680 1.00 0.00 H new ATOM 1392 N VAL B 220 11.003 8.733 13.518 1.00 0.00 N ATOM 1393 CA VAL B 220 12.115 8.240 12.713 1.00 0.00 C ATOM 1394 C VAL B 220 12.609 6.899 13.246 1.00 0.00 C ATOM 1395 O VAL B 220 12.408 5.858 12.619 1.00 0.00 O ATOM 1396 CB VAL B 220 13.262 9.254 12.726 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.248 8.927 11.601 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.698 10.661 12.514 1.00 0.00 C ATOM 0 H VAL B 220 10.127 8.842 13.008 1.00 0.00 H new ATOM 0 HA VAL B 220 11.766 8.104 11.690 1.00 0.00 H new ATOM 0 HB VAL B 220 13.777 9.207 13.685 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.064 9.649 11.611 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.649 7.924 11.749 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.734 8.974 10.641 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.513 11.385 12.523 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.183 10.706 11.554 1.00 0.00 H new ATOM 0 HG23 VAL B 220 11.996 10.896 13.314 1.00 0.00 H new ATOM 1408 N GLY B 221 13.255 6.928 14.408 1.00 0.00 N ATOM 1409 CA GLY B 221 13.769 5.707 15.016 1.00 0.00 C ATOM 1410 C GLY B 221 12.683 4.639 15.089 1.00 0.00 C ATOM 1411 O GLY B 221 12.956 3.482 15.408 1.00 0.00 O ATOM 0 H GLY B 221 13.434 7.778 14.944 1.00 0.00 H new ATOM 0 HA2 GLY B 221 14.613 5.334 14.436 1.00 0.00 H new ATOM 0 HA3 GLY B 221 14.141 5.923 16.018 1.00 0.00 H new ATOM 1415 N LEU B 222 11.450 5.037 14.789 1.00 0.00 N ATOM 1416 CA LEU B 222 10.322 4.109 14.822 1.00 0.00 C ATOM 1417 C LEU B 222 10.710 2.777 14.172 1.00 0.00 C ATOM 1418 O LEU B 222 10.412 1.706 14.701 1.00 0.00 O ATOM 1419 CB LEU B 222 9.123 4.738 14.083 1.00 0.00 C ATOM 1420 CG LEU B 222 7.797 4.263 14.697 1.00 0.00 C ATOM 1421 CD1 LEU B 222 6.631 4.799 13.862 1.00 0.00 C ATOM 1422 CD2 LEU B 222 7.752 2.729 14.717 1.00 0.00 C ATOM 0 H LEU B 222 11.206 5.991 14.522 1.00 0.00 H new ATOM 0 HA LEU B 222 10.045 3.915 15.858 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.186 5.825 14.137 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.158 4.469 13.027 1.00 0.00 H new ATOM 0 HG LEU B 222 7.718 4.636 15.718 1.00 0.00 H new ATOM 0 HD11 LEU B 222 5.689 4.464 14.295 1.00 0.00 H new ATOM 0 HD12 LEU B 222 6.659 5.889 13.855 1.00 0.00 H new ATOM 0 HD13 LEU B 222 6.714 4.427 12.841 1.00 0.00 H new ATOM 0 HD21 LEU B 222 6.810 2.398 15.153 1.00 0.00 H new ATOM 0 HD22 LEU B 222 7.833 2.349 13.699 1.00 0.00 H new ATOM 0 HD23 LEU B 222 8.581 2.348 15.313 1.00 0.00 H new ATOM 1434 N LEU B 223 11.380 2.858 13.027 1.00 0.00 N ATOM 1435 CA LEU B 223 11.809 1.658 12.313 1.00 0.00 C ATOM 1436 C LEU B 223 12.402 0.642 13.288 1.00 0.00 C ATOM 1437 O LEU B 223 11.826 -0.425 13.426 1.00 0.00 O ATOM 1438 CB LEU B 223 12.850 2.039 11.244 1.00 0.00 C ATOM 1439 CG LEU B 223 12.859 1.016 10.090 1.00 0.00 C ATOM 1440 CD1 LEU B 223 13.052 -0.398 10.647 1.00 0.00 C ATOM 1441 CD2 LEU B 223 11.541 1.087 9.285 1.00 0.00 C ATOM 1442 OXT LEU B 223 13.423 0.946 13.882 1.00 0.00 O ATOM 0 H LEU B 223 11.637 3.735 12.575 1.00 0.00 H new ATOM 0 HA LEU B 223 10.945 1.205 11.827 1.00 0.00 H new ATOM 0 HB2 LEU B 223 12.628 3.032 10.853 1.00 0.00 H new ATOM 0 HB3 LEU B 223 13.840 2.090 11.697 1.00 0.00 H new ATOM 0 HG LEU B 223 13.686 1.257 9.422 1.00 0.00 H new ATOM 0 HD11 LEU B 223 13.057 -1.115 9.826 1.00 0.00 H new ATOM 0 HD12 LEU B 223 14.000 -0.452 11.182 1.00 0.00 H new ATOM 0 HD13 LEU B 223 12.236 -0.635 11.330 1.00 0.00 H new ATOM 0 HD21 LEU B 223 11.569 0.357 8.476 1.00 0.00 H new ATOM 0 HD22 LEU B 223 10.700 0.867 9.943 1.00 0.00 H new ATOM 0 HD23 LEU B 223 11.423 2.087 8.867 1.00 0.00 H new