USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 766 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.891 K(o=0.89,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 145:sc= -1.36 (180deg=-2.39!) USER MOD Single : A 24 GLN : amide:sc= -0.894 K(o=-0.89,f=-0.24) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.16) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 53:sc= 1.21 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -61:sc= 0.134 USER MOD Single : A 71 ASN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0.491 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N GLU A 12 -10.284 0.566 3.293 1.00 0.00 N ATOM 177 CA GLU A 12 -8.968 1.195 3.238 1.00 0.00 C ATOM 178 C GLU A 12 -8.194 0.890 4.526 1.00 0.00 C ATOM 179 O GLU A 12 -7.009 0.579 4.459 1.00 0.00 O ATOM 180 CB GLU A 12 -9.132 2.711 2.998 1.00 0.00 C ATOM 181 CG GLU A 12 -9.670 2.993 1.583 1.00 0.00 C ATOM 182 CD GLU A 12 -10.222 4.396 1.332 1.00 0.00 C ATOM 183 OE1 GLU A 12 -10.412 5.193 2.278 1.00 0.00 O ATOM 184 OE2 GLU A 12 -10.495 4.700 0.151 1.00 0.00 O ATOM 0 HA GLU A 12 -8.390 0.790 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.814 3.128 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.172 3.209 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.867 2.809 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.459 2.272 1.368 1.00 0.00 H new ATOM 191 N SER A 13 -8.863 0.929 5.685 1.00 0.00 N ATOM 192 CA SER A 13 -8.237 0.676 6.978 1.00 0.00 C ATOM 193 C SER A 13 -7.853 -0.797 7.145 1.00 0.00 C ATOM 194 O SER A 13 -6.818 -1.089 7.745 1.00 0.00 O ATOM 195 CB SER A 13 -9.210 1.111 8.080 1.00 0.00 C ATOM 196 OG SER A 13 -8.529 1.416 9.281 1.00 0.00 O ATOM 0 H SER A 13 -9.859 1.139 5.747 1.00 0.00 H new ATOM 0 HA SER A 13 -7.313 1.250 7.045 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.772 1.984 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.934 0.317 8.262 1.00 0.00 H new ATOM 0 HG SER A 13 -9.176 1.692 9.963 1.00 0.00 H new ATOM 202 N GLU A 14 -8.659 -1.727 6.625 1.00 0.00 N ATOM 203 CA GLU A 14 -8.345 -3.145 6.663 1.00 0.00 C ATOM 204 C GLU A 14 -7.026 -3.367 5.931 1.00 0.00 C ATOM 205 O GLU A 14 -6.085 -3.923 6.495 1.00 0.00 O ATOM 206 CB GLU A 14 -9.493 -3.941 6.026 1.00 0.00 C ATOM 207 CG GLU A 14 -10.617 -4.256 7.019 1.00 0.00 C ATOM 208 CD GLU A 14 -10.366 -5.575 7.754 1.00 0.00 C ATOM 209 OE1 GLU A 14 -9.515 -5.632 8.672 1.00 0.00 O ATOM 210 OE2 GLU A 14 -11.055 -6.567 7.418 1.00 0.00 O ATOM 0 H GLU A 14 -9.545 -1.511 6.168 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.235 -3.493 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.901 -3.375 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.101 -4.873 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.701 -3.446 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.568 -4.310 6.488 1.00 0.00 H new ATOM 217 N ILE A 15 -6.928 -2.906 4.680 1.00 0.00 N ATOM 218 CA ILE A 15 -5.722 -3.135 3.898 1.00 0.00 C ATOM 219 C ILE A 15 -4.526 -2.414 4.548 1.00 0.00 C ATOM 220 O ILE A 15 -3.420 -2.954 4.528 1.00 0.00 O ATOM 221 CB ILE A 15 -5.932 -2.786 2.407 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.176 -3.483 1.803 1.00 0.00 C ATOM 223 CG2 ILE A 15 -4.676 -3.235 1.651 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.418 -3.144 0.325 1.00 0.00 C ATOM 0 H ILE A 15 -7.659 -2.382 4.199 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.487 -4.199 3.905 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.100 -1.713 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.062 -4.562 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.056 -3.200 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.787 -3.004 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.806 -2.711 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.540 -4.309 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.306 -3.669 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.565 -2.069 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.555 -3.453 -0.265 1.00 0.00 H new ATOM 236 N GLN A 16 -4.734 -1.258 5.189 1.00 0.00 N ATOM 237 CA GLN A 16 -3.693 -0.525 5.910 1.00 0.00 C ATOM 238 C GLN A 16 -3.027 -1.360 7.016 1.00 0.00 C ATOM 239 O GLN A 16 -1.877 -1.111 7.384 1.00 0.00 O ATOM 240 CB GLN A 16 -4.312 0.762 6.484 1.00 0.00 C ATOM 241 CG GLN A 16 -3.258 1.810 6.870 1.00 0.00 C ATOM 242 CD GLN A 16 -3.058 2.037 8.368 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.866 1.648 9.210 1.00 0.00 O ATOM 244 NE2 GLN A 16 -1.973 2.692 8.740 1.00 0.00 N ATOM 0 H GLN A 16 -5.645 -0.801 5.220 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.896 -0.281 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.992 1.192 5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.908 0.513 7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.303 1.513 6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.534 2.760 6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.305 3.013 8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.803 2.877 9.729 1.00 0.00 H new ATOM 253 N LYS A 17 -3.734 -2.359 7.540 1.00 0.00 N ATOM 254 CA LYS A 17 -3.233 -3.335 8.501 1.00 0.00 C ATOM 255 C LYS A 17 -2.666 -4.558 7.788 1.00 0.00 C ATOM 256 O LYS A 17 -1.583 -5.022 8.150 1.00 0.00 O ATOM 257 CB LYS A 17 -4.393 -3.753 9.423 1.00 0.00 C ATOM 258 CG LYS A 17 -4.042 -3.623 10.896 1.00 0.00 C ATOM 259 CD LYS A 17 -5.226 -4.114 11.735 1.00 0.00 C ATOM 260 CE LYS A 17 -4.701 -5.014 12.838 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.119 -4.266 13.975 1.00 0.00 N ATOM 0 H LYS A 17 -4.712 -2.516 7.295 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.429 -2.887 9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.266 -3.137 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.669 -4.785 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.151 -4.208 11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.813 -2.585 11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.763 -3.267 12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.933 -4.657 11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.514 -5.642 13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.944 -5.680 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.779 -4.936 14.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.324 -3.686 13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.845 -3.649 14.393 1.00 0.00 H new ATOM 275 N LEU A 18 -3.369 -5.100 6.792 1.00 0.00 N ATOM 276 CA LEU A 18 -2.957 -6.328 6.112 1.00 0.00 C ATOM 277 C LEU A 18 -1.611 -6.150 5.396 1.00 0.00 C ATOM 278 O LEU A 18 -0.830 -7.096 5.293 1.00 0.00 O ATOM 279 CB LEU A 18 -4.053 -6.791 5.132 1.00 0.00 C ATOM 280 CG LEU A 18 -5.402 -7.150 5.794 1.00 0.00 C ATOM 281 CD1 LEU A 18 -6.459 -7.446 4.725 1.00 0.00 C ATOM 282 CD2 LEU A 18 -5.285 -8.334 6.752 1.00 0.00 C ATOM 0 H LEU A 18 -4.237 -4.701 6.435 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.820 -7.103 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.222 -6.002 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.689 -7.661 4.586 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.708 -6.284 6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.404 -7.697 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.596 -6.567 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.131 -8.285 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.260 -8.545 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.935 -9.210 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.576 -8.093 7.544 1.00 0.00 H new ATOM 294 N LEU A 19 -1.322 -4.951 4.890 1.00 0.00 N ATOM 295 CA LEU A 19 -0.046 -4.600 4.271 1.00 0.00 C ATOM 296 C LEU A 19 1.095 -4.563 5.285 1.00 0.00 C ATOM 297 O LEU A 19 2.235 -4.817 4.891 1.00 0.00 O ATOM 298 CB LEU A 19 -0.190 -3.220 3.613 1.00 0.00 C ATOM 299 CG LEU A 19 -0.984 -3.218 2.299 1.00 0.00 C ATOM 300 CD1 LEU A 19 -1.273 -1.766 1.911 1.00 0.00 C ATOM 301 CD2 LEU A 19 -0.225 -3.894 1.150 1.00 0.00 C ATOM 0 H LEU A 19 -1.987 -4.178 4.900 1.00 0.00 H new ATOM 0 HA LEU A 19 0.200 -5.364 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.677 -2.545 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.805 -2.818 3.422 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.902 -3.783 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.837 -1.744 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.855 -1.288 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.333 -1.231 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.832 -3.864 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.713 -3.368 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.016 -4.931 1.413 1.00 0.00 H new ATOM 313 N MET A 20 0.827 -4.243 6.557 1.00 0.00 N ATOM 314 CA MET A 20 1.856 -4.137 7.591 1.00 0.00 C ATOM 315 C MET A 20 2.376 -5.513 7.993 1.00 0.00 C ATOM 316 O MET A 20 3.590 -5.713 8.025 1.00 0.00 O ATOM 317 CB MET A 20 1.302 -3.417 8.839 1.00 0.00 C ATOM 318 CG MET A 20 1.272 -1.893 8.752 1.00 0.00 C ATOM 319 SD MET A 20 2.785 -1.056 9.310 1.00 0.00 S ATOM 320 CE MET A 20 3.877 -1.310 7.888 1.00 0.00 C ATOM 0 H MET A 20 -0.115 -4.050 6.896 1.00 0.00 H new ATOM 0 HA MET A 20 2.679 -3.557 7.174 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.289 -3.774 9.025 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.904 -3.704 9.701 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.079 -1.608 7.718 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.434 -1.528 9.345 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.518 -0.438 7.761 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.494 -2.192 8.056 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.277 -1.453 6.989 1.00 0.00 H new ATOM 330 N GLU A 21 1.471 -6.453 8.271 1.00 0.00 N ATOM 331 CA GLU A 21 1.769 -7.837 8.586 1.00 0.00 C ATOM 332 C GLU A 21 2.622 -8.469 7.490 1.00 0.00 C ATOM 333 O GLU A 21 3.679 -9.042 7.758 1.00 0.00 O ATOM 334 CB GLU A 21 0.425 -8.563 8.710 1.00 0.00 C ATOM 335 CG GLU A 21 0.149 -9.079 10.116 1.00 0.00 C ATOM 336 CD GLU A 21 0.779 -10.457 10.344 1.00 0.00 C ATOM 337 OE1 GLU A 21 0.411 -11.409 9.622 1.00 0.00 O ATOM 338 OE2 GLU A 21 1.673 -10.596 11.211 1.00 0.00 O ATOM 0 H GLU A 21 0.471 -6.255 8.281 1.00 0.00 H new ATOM 0 HA GLU A 21 2.337 -7.909 9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.376 -7.885 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.406 -9.400 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.542 -8.373 10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.927 -9.139 10.278 1.00 0.00 H new ATOM 345 N ALA A 22 2.174 -8.344 6.238 1.00 0.00 N ATOM 346 CA ALA A 22 2.906 -8.900 5.118 1.00 0.00 C ATOM 347 C ALA A 22 4.295 -8.264 5.017 1.00 0.00 C ATOM 348 O ALA A 22 5.238 -8.968 4.676 1.00 0.00 O ATOM 349 CB ALA A 22 2.085 -8.721 3.841 1.00 0.00 C ATOM 0 H ALA A 22 1.311 -7.863 5.984 1.00 0.00 H new ATOM 0 HA ALA A 22 3.063 -9.968 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.632 -9.138 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.131 -9.238 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.906 -7.660 3.669 1.00 0.00 H new ATOM 355 N LEU A 23 4.450 -6.971 5.330 1.00 0.00 N ATOM 356 CA LEU A 23 5.750 -6.302 5.289 1.00 0.00 C ATOM 357 C LEU A 23 6.691 -6.899 6.336 1.00 0.00 C ATOM 358 O LEU A 23 7.853 -7.108 6.011 1.00 0.00 O ATOM 359 CB LEU A 23 5.564 -4.780 5.477 1.00 0.00 C ATOM 360 CG LEU A 23 6.861 -3.962 5.341 1.00 0.00 C ATOM 361 CD1 LEU A 23 7.310 -3.955 3.880 1.00 0.00 C ATOM 362 CD2 LEU A 23 6.635 -2.508 5.770 1.00 0.00 C ATOM 0 H LEU A 23 3.681 -6.365 5.617 1.00 0.00 H new ATOM 0 HA LEU A 23 6.210 -6.463 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.843 -4.420 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.134 -4.597 6.462 1.00 0.00 H new ATOM 0 HG LEU A 23 7.617 -4.420 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.228 -3.376 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.490 -4.978 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.532 -3.506 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.565 -1.949 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.868 -2.058 5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.311 -2.482 6.810 1.00 0.00 H new ATOM 374 N GLN A 24 6.223 -7.221 7.547 1.00 0.00 N ATOM 375 CA GLN A 24 7.042 -7.941 8.519 1.00 0.00 C ATOM 376 C GLN A 24 7.510 -9.293 7.958 1.00 0.00 C ATOM 377 O GLN A 24 8.669 -9.664 8.137 1.00 0.00 O ATOM 378 CB GLN A 24 6.250 -8.146 9.816 1.00 0.00 C ATOM 379 CG GLN A 24 5.827 -6.854 10.525 1.00 0.00 C ATOM 380 CD GLN A 24 6.994 -6.102 11.163 1.00 0.00 C ATOM 381 OE1 GLN A 24 7.349 -6.333 12.314 1.00 0.00 O ATOM 382 NE2 GLN A 24 7.592 -5.166 10.449 1.00 0.00 N ATOM 0 H GLN A 24 5.284 -6.994 7.873 1.00 0.00 H new ATOM 0 HA GLN A 24 7.929 -7.344 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.357 -8.729 9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.853 -8.740 10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.332 -6.200 9.807 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.094 -7.094 11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.289 -4.982 9.493 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.357 -4.627 10.854 1.00 0.00 H new ATOM 391 N GLN A 25 6.632 -10.031 7.271 1.00 0.00 N ATOM 392 CA GLN A 25 6.951 -11.318 6.654 1.00 0.00 C ATOM 393 C GLN A 25 7.762 -11.199 5.347 1.00 0.00 C ATOM 394 O GLN A 25 8.211 -12.227 4.828 1.00 0.00 O ATOM 395 CB GLN A 25 5.626 -12.065 6.407 1.00 0.00 C ATOM 396 CG GLN A 25 5.149 -12.826 7.655 1.00 0.00 C ATOM 397 CD GLN A 25 5.819 -14.198 7.751 1.00 0.00 C ATOM 398 OE1 GLN A 25 5.532 -15.080 6.946 1.00 0.00 O ATOM 399 NE2 GLN A 25 6.724 -14.401 8.695 1.00 0.00 N ATOM 0 H GLN A 25 5.664 -9.744 7.127 1.00 0.00 H new ATOM 0 HA GLN A 25 7.596 -11.870 7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.860 -11.352 6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.754 -12.766 5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.375 -12.244 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.066 -12.948 7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.949 -13.656 9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.197 -15.302 8.763 1.00 0.00 H new ATOM 408 N LEU A 26 7.941 -10.002 4.782 1.00 0.00 N ATOM 409 CA LEU A 26 8.467 -9.830 3.432 1.00 0.00 C ATOM 410 C LEU A 26 9.959 -10.172 3.372 1.00 0.00 C ATOM 411 O LEU A 26 10.768 -9.631 4.125 1.00 0.00 O ATOM 412 CB LEU A 26 8.188 -8.402 2.932 1.00 0.00 C ATOM 413 CG LEU A 26 8.779 -8.107 1.543 1.00 0.00 C ATOM 414 CD1 LEU A 26 8.393 -9.119 0.456 1.00 0.00 C ATOM 415 CD2 LEU A 26 8.306 -6.756 1.016 1.00 0.00 C ATOM 0 H LEU A 26 7.723 -9.124 5.253 1.00 0.00 H new ATOM 0 HA LEU A 26 7.955 -10.526 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.110 -8.242 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.595 -7.689 3.649 1.00 0.00 H new ATOM 0 HG LEU A 26 9.855 -8.146 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.854 -8.832 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.741 -10.111 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.309 -9.134 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.741 -6.576 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.219 -6.757 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.620 -5.968 1.701 1.00 0.00 H new ATOM 427 N ARG A 27 10.346 -11.066 2.458 1.00 0.00 N ATOM 428 CA ARG A 27 11.744 -11.358 2.146 1.00 0.00 C ATOM 429 C ARG A 27 12.329 -10.250 1.260 1.00 0.00 C ATOM 430 O ARG A 27 12.443 -10.432 0.044 1.00 0.00 O ATOM 431 CB ARG A 27 11.857 -12.757 1.503 1.00 0.00 C ATOM 432 CG ARG A 27 11.601 -13.876 2.526 1.00 0.00 C ATOM 433 CD ARG A 27 11.776 -15.264 1.894 1.00 0.00 C ATOM 434 NE ARG A 27 11.650 -16.325 2.906 1.00 0.00 N ATOM 435 CZ ARG A 27 10.536 -16.941 3.317 1.00 0.00 C ATOM 436 NH1 ARG A 27 9.401 -16.856 2.619 1.00 0.00 N ATOM 437 NH2 ARG A 27 10.582 -17.617 4.456 1.00 0.00 N ATOM 0 H ARG A 27 9.686 -11.614 1.907 1.00 0.00 H new ATOM 0 HA ARG A 27 12.334 -11.376 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.141 -12.841 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.850 -12.880 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.288 -13.768 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.591 -13.781 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.028 -15.409 1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.753 -15.328 1.414 1.00 0.00 H new ATOM 0 HE ARG A 27 12.518 -16.628 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.373 -16.314 1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.562 -17.333 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.449 -17.656 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.750 -18.098 4.798 1.00 0.00 H new ATOM 451 N ASP A 28 12.727 -9.113 1.832 1.00 0.00 N ATOM 452 CA ASP A 28 13.356 -7.979 1.134 1.00 0.00 C ATOM 453 C ASP A 28 14.669 -7.530 1.803 1.00 0.00 C ATOM 454 O ASP A 28 14.769 -6.421 2.324 1.00 0.00 O ATOM 455 CB ASP A 28 12.402 -6.777 0.991 1.00 0.00 C ATOM 456 CG ASP A 28 11.807 -6.238 2.293 1.00 0.00 C ATOM 457 OD1 ASP A 28 12.150 -6.755 3.377 1.00 0.00 O ATOM 458 OD2 ASP A 28 10.940 -5.347 2.171 1.00 0.00 O ATOM 0 H ASP A 28 12.618 -8.945 2.832 1.00 0.00 H new ATOM 0 HA ASP A 28 13.593 -8.348 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.940 -5.968 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.583 -7.064 0.331 1.00 0.00 H new ATOM 463 N PRO A 29 15.771 -8.286 1.659 1.00 0.00 N ATOM 464 CA PRO A 29 17.080 -7.912 2.206 1.00 0.00 C ATOM 465 C PRO A 29 17.666 -6.643 1.564 1.00 0.00 C ATOM 466 O PRO A 29 18.706 -6.140 1.985 1.00 0.00 O ATOM 467 CB PRO A 29 17.977 -9.124 1.973 1.00 0.00 C ATOM 468 CG PRO A 29 17.373 -9.766 0.732 1.00 0.00 C ATOM 469 CD PRO A 29 15.880 -9.489 0.862 1.00 0.00 C ATOM 0 HA PRO A 29 16.994 -7.661 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.015 -8.833 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.966 -9.804 2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.781 -9.332 -0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.579 -10.836 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.421 -9.353 -0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.368 -10.323 1.341 1.00 0.00 H new ATOM 477 N ARG A 30 17.011 -6.136 0.518 1.00 0.00 N ATOM 478 CA ARG A 30 17.370 -4.919 -0.193 1.00 0.00 C ATOM 479 C ARG A 30 16.496 -3.725 0.197 1.00 0.00 C ATOM 480 O ARG A 30 16.754 -2.643 -0.331 1.00 0.00 O ATOM 481 CB ARG A 30 17.331 -5.201 -1.707 1.00 0.00 C ATOM 482 CG ARG A 30 18.553 -6.012 -2.179 1.00 0.00 C ATOM 483 CD ARG A 30 18.172 -7.322 -2.875 1.00 0.00 C ATOM 484 NE ARG A 30 19.329 -7.915 -3.571 1.00 0.00 N ATOM 485 CZ ARG A 30 19.273 -8.613 -4.711 1.00 0.00 C ATOM 486 NH1 ARG A 30 18.112 -9.033 -5.185 1.00 0.00 N ATOM 487 NH2 ARG A 30 20.382 -8.911 -5.373 1.00 0.00 N ATOM 0 H ARG A 30 16.181 -6.585 0.131 1.00 0.00 H new ATOM 0 HA ARG A 30 18.382 -4.632 0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.419 -5.746 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.292 -4.257 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.144 -5.403 -2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.187 -6.234 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.786 -8.028 -2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.371 -7.137 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 30 20.248 -7.782 -3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.250 -8.825 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.079 -9.565 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 30 21.287 -8.608 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.330 -9.444 -6.241 1.00 0.00 H new ATOM 501 N LEU A 31 15.523 -3.847 1.105 1.00 0.00 N ATOM 502 CA LEU A 31 14.655 -2.749 1.535 1.00 0.00 C ATOM 503 C LEU A 31 14.687 -2.626 3.051 1.00 0.00 C ATOM 504 O LEU A 31 14.352 -3.568 3.760 1.00 0.00 O ATOM 505 CB LEU A 31 13.231 -2.980 1.007 1.00 0.00 C ATOM 506 CG LEU A 31 12.137 -1.965 1.403 1.00 0.00 C ATOM 507 CD1 LEU A 31 11.331 -2.396 2.630 1.00 0.00 C ATOM 508 CD2 LEU A 31 12.583 -0.505 1.521 1.00 0.00 C ATOM 0 H LEU A 31 15.313 -4.730 1.570 1.00 0.00 H new ATOM 0 HA LEU A 31 15.015 -1.807 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.279 -3.011 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.908 -3.966 1.340 1.00 0.00 H new ATOM 0 HG LEU A 31 11.478 -1.985 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.579 -1.640 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.839 -3.347 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.000 -2.509 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.731 0.114 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.360 -0.422 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.976 -0.166 0.562 1.00 0.00 H new ATOM 520 N LYS A 32 15.076 -1.460 3.572 1.00 0.00 N ATOM 521 CA LYS A 32 14.936 -1.065 4.977 1.00 0.00 C ATOM 522 C LYS A 32 13.452 -0.898 5.348 1.00 0.00 C ATOM 523 O LYS A 32 12.970 0.229 5.477 1.00 0.00 O ATOM 524 CB LYS A 32 15.738 0.237 5.175 1.00 0.00 C ATOM 525 CG LYS A 32 17.256 -0.009 5.252 1.00 0.00 C ATOM 526 CD LYS A 32 18.069 1.285 5.068 1.00 0.00 C ATOM 527 CE LYS A 32 19.564 1.082 5.360 1.00 0.00 C ATOM 528 NZ LYS A 32 20.250 0.251 4.351 1.00 0.00 N ATOM 0 H LYS A 32 15.515 -0.735 3.004 1.00 0.00 H new ATOM 0 HA LYS A 32 15.329 -1.835 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.525 0.919 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.406 0.728 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.501 -0.455 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.544 -0.728 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.946 1.646 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.674 2.057 5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.052 2.055 5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.676 0.617 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.253 0.153 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.808 -0.690 4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.173 0.704 3.418 1.00 0.00 H new ATOM 542 N LYS A 33 12.710 -1.996 5.531 1.00 0.00 N ATOM 543 CA LYS A 33 11.293 -1.973 5.916 1.00 0.00 C ATOM 544 C LYS A 33 11.082 -1.314 7.270 1.00 0.00 C ATOM 545 O LYS A 33 10.011 -0.771 7.514 1.00 0.00 O ATOM 546 CB LYS A 33 10.683 -3.386 5.909 1.00 0.00 C ATOM 547 CG LYS A 33 11.580 -4.465 6.545 1.00 0.00 C ATOM 548 CD LYS A 33 10.798 -5.567 7.254 1.00 0.00 C ATOM 549 CE LYS A 33 10.196 -4.986 8.535 1.00 0.00 C ATOM 550 NZ LYS A 33 11.114 -5.038 9.699 1.00 0.00 N ATOM 0 H LYS A 33 13.081 -2.939 5.414 1.00 0.00 H new ATOM 0 HA LYS A 33 10.777 -1.372 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.732 -3.361 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.466 -3.671 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.201 -4.913 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.254 -3.991 7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.011 -5.950 6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.453 -6.405 7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.910 -3.950 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.284 -5.531 8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.576 -4.872 10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.566 -5.973 9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.845 -4.305 9.598 1.00 0.00 H new ATOM 564 N ASP A 34 12.108 -1.309 8.114 1.00 0.00 N ATOM 565 CA ASP A 34 12.076 -0.725 9.446 1.00 0.00 C ATOM 566 C ASP A 34 11.758 0.768 9.429 1.00 0.00 C ATOM 567 O ASP A 34 11.308 1.283 10.448 1.00 0.00 O ATOM 568 CB ASP A 34 13.409 -0.996 10.153 1.00 0.00 C ATOM 569 CG ASP A 34 13.431 -2.422 10.693 1.00 0.00 C ATOM 570 OD1 ASP A 34 13.332 -3.368 9.872 1.00 0.00 O ATOM 571 OD2 ASP A 34 13.458 -2.591 11.932 1.00 0.00 O ATOM 0 H ASP A 34 13.010 -1.724 7.881 1.00 0.00 H new ATOM 0 HA ASP A 34 11.265 -1.200 9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.236 -0.849 9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.548 -0.287 10.969 1.00 0.00 H new ATOM 576 N PHE A 35 11.924 1.455 8.291 1.00 0.00 N ATOM 577 CA PHE A 35 11.661 2.889 8.161 1.00 0.00 C ATOM 578 C PHE A 35 10.451 3.168 7.264 1.00 0.00 C ATOM 579 O PHE A 35 10.349 4.248 6.669 1.00 0.00 O ATOM 580 CB PHE A 35 12.939 3.587 7.681 1.00 0.00 C ATOM 581 CG PHE A 35 14.192 3.210 8.454 1.00 0.00 C ATOM 582 CD1 PHE A 35 14.162 3.153 9.858 1.00 0.00 C ATOM 583 CD2 PHE A 35 15.370 2.857 7.775 1.00 0.00 C ATOM 584 CE1 PHE A 35 15.293 2.735 10.579 1.00 0.00 C ATOM 585 CE2 PHE A 35 16.494 2.417 8.496 1.00 0.00 C ATOM 586 CZ PHE A 35 16.460 2.360 9.898 1.00 0.00 C ATOM 0 H PHE A 35 12.249 1.023 7.426 1.00 0.00 H new ATOM 0 HA PHE A 35 11.393 3.300 9.134 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.093 3.352 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.796 4.665 7.749 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.263 3.433 10.387 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.412 2.924 6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 35 15.264 2.702 11.658 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.389 2.121 7.968 1.00 0.00 H new ATOM 0 HZ PHE A 35 17.328 2.029 10.449 1.00 0.00 H new ATOM 596 N VAL A 36 9.547 2.193 7.135 1.00 0.00 N ATOM 597 CA VAL A 36 8.381 2.229 6.268 1.00 0.00 C ATOM 598 C VAL A 36 7.121 2.126 7.141 1.00 0.00 C ATOM 599 O VAL A 36 7.010 1.251 8.004 1.00 0.00 O ATOM 600 CB VAL A 36 8.496 1.112 5.211 1.00 0.00 C ATOM 601 CG1 VAL A 36 7.296 1.110 4.259 1.00 0.00 C ATOM 602 CG2 VAL A 36 9.759 1.230 4.344 1.00 0.00 C ATOM 0 H VAL A 36 9.617 1.320 7.659 1.00 0.00 H new ATOM 0 HA VAL A 36 8.316 3.167 5.717 1.00 0.00 H new ATOM 0 HB VAL A 36 8.538 0.189 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.412 0.310 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.380 0.951 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.240 2.068 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.781 0.415 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.750 2.184 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.643 1.175 4.979 1.00 0.00 H new ATOM 612 N THR A 37 6.181 3.045 6.920 1.00 0.00 N ATOM 613 CA THR A 37 4.854 3.121 7.520 1.00 0.00 C ATOM 614 C THR A 37 3.875 3.576 6.421 1.00 0.00 C ATOM 615 O THR A 37 4.243 4.381 5.554 1.00 0.00 O ATOM 616 CB THR A 37 4.927 4.097 8.706 1.00 0.00 C ATOM 617 OG1 THR A 37 5.829 3.601 9.675 1.00 0.00 O ATOM 618 CG2 THR A 37 3.580 4.353 9.386 1.00 0.00 C ATOM 0 H THR A 37 6.342 3.812 6.267 1.00 0.00 H new ATOM 0 HA THR A 37 4.503 2.164 7.905 1.00 0.00 H new ATOM 0 HB THR A 37 5.263 5.047 8.290 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.875 4.225 10.429 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.716 5.051 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.882 4.777 8.664 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.181 3.413 9.768 1.00 0.00 H new ATOM 626 N PHE A 38 2.636 3.073 6.454 1.00 0.00 N ATOM 627 CA PHE A 38 1.554 3.407 5.535 1.00 0.00 C ATOM 628 C PHE A 38 0.644 4.396 6.239 1.00 0.00 C ATOM 629 O PHE A 38 -0.019 4.040 7.212 1.00 0.00 O ATOM 630 CB PHE A 38 0.773 2.156 5.114 1.00 0.00 C ATOM 631 CG PHE A 38 1.637 1.083 4.484 1.00 0.00 C ATOM 632 CD1 PHE A 38 2.482 1.418 3.407 1.00 0.00 C ATOM 633 CD2 PHE A 38 1.647 -0.230 4.999 1.00 0.00 C ATOM 634 CE1 PHE A 38 3.341 0.455 2.855 1.00 0.00 C ATOM 635 CE2 PHE A 38 2.516 -1.185 4.450 1.00 0.00 C ATOM 636 CZ PHE A 38 3.357 -0.841 3.382 1.00 0.00 C ATOM 0 H PHE A 38 2.352 2.391 7.157 1.00 0.00 H new ATOM 0 HA PHE A 38 1.962 3.844 4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.272 1.740 5.988 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.005 2.445 4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.469 2.420 3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.989 -0.499 5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.986 0.713 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.537 -2.188 4.851 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.022 -1.582 2.963 1.00 0.00 H new ATOM 646 N SER A 39 0.659 5.649 5.801 1.00 0.00 N ATOM 647 CA SER A 39 0.099 6.744 6.577 1.00 0.00 C ATOM 648 C SER A 39 -1.301 7.122 6.061 1.00 0.00 C ATOM 649 O SER A 39 -2.162 7.517 6.854 1.00 0.00 O ATOM 650 CB SER A 39 1.143 7.871 6.541 1.00 0.00 C ATOM 651 OG SER A 39 0.896 8.904 7.474 1.00 0.00 O ATOM 0 H SER A 39 1.057 5.931 4.905 1.00 0.00 H new ATOM 0 HA SER A 39 -0.082 6.480 7.619 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.129 7.447 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.170 8.298 5.538 1.00 0.00 H new ATOM 0 HG SER A 39 1.596 9.586 7.400 1.00 0.00 H new ATOM 657 N ARG A 40 -1.550 6.927 4.762 1.00 0.00 N ATOM 658 CA ARG A 40 -2.837 7.063 4.090 1.00 0.00 C ATOM 659 C ARG A 40 -2.993 5.856 3.168 1.00 0.00 C ATOM 660 O ARG A 40 -2.005 5.282 2.703 1.00 0.00 O ATOM 661 CB ARG A 40 -2.897 8.433 3.362 1.00 0.00 C ATOM 662 CG ARG A 40 -3.840 8.571 2.149 1.00 0.00 C ATOM 663 CD ARG A 40 -5.335 8.550 2.474 1.00 0.00 C ATOM 664 NE ARG A 40 -5.899 9.905 2.584 1.00 0.00 N ATOM 665 CZ ARG A 40 -6.715 10.361 3.539 1.00 0.00 C ATOM 666 NH1 ARG A 40 -7.027 9.623 4.602 1.00 0.00 N ATOM 667 NH2 ARG A 40 -7.235 11.571 3.413 1.00 0.00 N ATOM 0 H ARG A 40 -0.810 6.653 4.116 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.678 7.065 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.184 9.187 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.888 8.678 3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.610 9.505 1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.626 7.762 1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.866 7.999 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.494 8.015 3.410 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.639 10.567 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.641 8.684 4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.653 9.996 5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.011 12.140 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.860 11.935 4.132 1.00 0.00 H new ATOM 681 N VAL A 41 -4.234 5.491 2.876 1.00 0.00 N ATOM 682 CA VAL A 41 -4.612 4.486 1.901 1.00 0.00 C ATOM 683 C VAL A 41 -5.871 5.028 1.218 1.00 0.00 C ATOM 684 O VAL A 41 -6.721 5.621 1.887 1.00 0.00 O ATOM 685 CB VAL A 41 -4.845 3.148 2.642 1.00 0.00 C ATOM 686 CG1 VAL A 41 -5.391 2.073 1.702 1.00 0.00 C ATOM 687 CG2 VAL A 41 -3.551 2.601 3.268 1.00 0.00 C ATOM 0 H VAL A 41 -5.041 5.910 3.337 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.850 4.291 1.146 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.569 3.369 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.542 1.147 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.341 2.404 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.679 1.900 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.762 1.661 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.812 2.431 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.161 3.323 3.985 1.00 0.00 H new ATOM 697 N GLU A 42 -6.023 4.830 -0.090 1.00 0.00 N ATOM 698 CA GLU A 42 -7.284 5.021 -0.790 1.00 0.00 C ATOM 699 C GLU A 42 -7.546 3.822 -1.703 1.00 0.00 C ATOM 700 O GLU A 42 -6.610 3.166 -2.162 1.00 0.00 O ATOM 701 CB GLU A 42 -7.268 6.340 -1.581 1.00 0.00 C ATOM 702 CG GLU A 42 -8.009 7.478 -0.848 1.00 0.00 C ATOM 703 CD GLU A 42 -8.772 8.374 -1.826 1.00 0.00 C ATOM 704 OE1 GLU A 42 -8.186 9.346 -2.349 1.00 0.00 O ATOM 705 OE2 GLU A 42 -9.961 8.119 -2.135 1.00 0.00 O ATOM 0 H GLU A 42 -5.262 4.528 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.096 5.087 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.235 6.640 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.728 6.181 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.705 7.053 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.292 8.078 -0.287 1.00 0.00 H new ATOM 712 N LEU A 43 -8.813 3.519 -1.983 1.00 0.00 N ATOM 713 CA LEU A 43 -9.233 2.584 -3.019 1.00 0.00 C ATOM 714 C LEU A 43 -9.952 3.361 -4.116 1.00 0.00 C ATOM 715 O LEU A 43 -10.546 4.407 -3.850 1.00 0.00 O ATOM 716 CB LEU A 43 -10.189 1.531 -2.425 1.00 0.00 C ATOM 717 CG LEU A 43 -9.474 0.243 -1.963 1.00 0.00 C ATOM 718 CD1 LEU A 43 -9.515 0.106 -0.440 1.00 0.00 C ATOM 719 CD2 LEU A 43 -10.087 -1.018 -2.564 1.00 0.00 C ATOM 0 H LEU A 43 -9.597 3.932 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.360 2.076 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.717 1.968 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.941 1.273 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.446 0.337 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.004 -0.810 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.018 0.963 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.552 0.068 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.545 -1.893 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.133 -1.092 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.022 -0.972 -3.651 1.00 0.00 H new ATOM 731 N SER A 44 -9.978 2.802 -5.328 1.00 0.00 N ATOM 732 CA SER A 44 -10.813 3.325 -6.401 1.00 0.00 C ATOM 733 C SER A 44 -12.293 3.217 -6.012 1.00 0.00 C ATOM 734 O SER A 44 -12.680 2.409 -5.161 1.00 0.00 O ATOM 735 CB SER A 44 -10.527 2.568 -7.705 1.00 0.00 C ATOM 736 OG SER A 44 -10.886 3.338 -8.838 1.00 0.00 O ATOM 0 H SER A 44 -9.426 1.984 -5.587 1.00 0.00 H new ATOM 0 HA SER A 44 -10.579 4.377 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.468 2.315 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.080 1.629 -7.711 1.00 0.00 H new ATOM 0 HG SER A 44 -10.691 2.831 -9.653 1.00 0.00 H new ATOM 742 N LYS A 45 -13.137 3.972 -6.717 1.00 0.00 N ATOM 743 CA LYS A 45 -14.590 4.037 -6.567 1.00 0.00 C ATOM 744 C LYS A 45 -15.233 2.656 -6.439 1.00 0.00 C ATOM 745 O LYS A 45 -15.973 2.401 -5.485 1.00 0.00 O ATOM 746 CB LYS A 45 -15.124 4.852 -7.751 1.00 0.00 C ATOM 747 CG LYS A 45 -16.647 5.011 -7.776 1.00 0.00 C ATOM 748 CD LYS A 45 -17.077 6.321 -8.456 1.00 0.00 C ATOM 749 CE LYS A 45 -16.599 6.462 -9.906 1.00 0.00 C ATOM 750 NZ LYS A 45 -17.451 5.727 -10.865 1.00 0.00 N ATOM 0 H LYS A 45 -12.802 4.593 -7.454 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.856 4.529 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.668 5.842 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.806 4.374 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.091 4.166 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.031 4.989 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.165 6.388 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.695 7.161 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.582 7.518 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.575 6.097 -9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.082 5.857 -11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.448 4.715 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.424 6.091 -10.815 1.00 0.00 H new ATOM 764 N ASP A 46 -14.962 1.744 -7.365 1.00 0.00 N ATOM 765 CA ASP A 46 -15.484 0.375 -7.343 1.00 0.00 C ATOM 766 C ASP A 46 -14.395 -0.614 -6.925 1.00 0.00 C ATOM 767 O ASP A 46 -14.361 -1.759 -7.367 1.00 0.00 O ATOM 768 CB ASP A 46 -16.128 0.030 -8.691 1.00 0.00 C ATOM 769 CG ASP A 46 -17.067 -1.181 -8.633 1.00 0.00 C ATOM 770 OD1 ASP A 46 -17.319 -1.735 -7.544 1.00 0.00 O ATOM 771 OD2 ASP A 46 -17.640 -1.504 -9.700 1.00 0.00 O ATOM 0 H ASP A 46 -14.363 1.934 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.269 0.299 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.686 0.895 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.342 -0.166 -9.420 1.00 0.00 H new ATOM 776 N LYS A 47 -13.454 -0.165 -6.085 1.00 0.00 N ATOM 777 CA LYS A 47 -12.405 -0.985 -5.479 1.00 0.00 C ATOM 778 C LYS A 47 -11.556 -1.715 -6.531 1.00 0.00 C ATOM 779 O LYS A 47 -11.081 -2.821 -6.285 1.00 0.00 O ATOM 780 CB LYS A 47 -13.031 -1.908 -4.405 1.00 0.00 C ATOM 781 CG LYS A 47 -13.792 -1.107 -3.329 1.00 0.00 C ATOM 782 CD LYS A 47 -14.288 -1.959 -2.152 1.00 0.00 C ATOM 783 CE LYS A 47 -15.434 -2.899 -2.561 1.00 0.00 C ATOM 784 NZ LYS A 47 -16.308 -3.247 -1.418 1.00 0.00 N ATOM 0 H LYS A 47 -13.403 0.813 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.688 -0.342 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.713 -2.611 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.246 -2.497 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.140 -0.321 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.646 -0.615 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.460 -2.548 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.626 -1.305 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.030 -2.424 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.018 -3.811 -2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.066 -3.882 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.746 -3.724 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.727 -2.380 -1.025 1.00 0.00 H new ATOM 798 N ARG A 48 -11.386 -1.126 -7.721 1.00 0.00 N ATOM 799 CA ARG A 48 -10.624 -1.718 -8.826 1.00 0.00 C ATOM 800 C ARG A 48 -9.112 -1.565 -8.634 1.00 0.00 C ATOM 801 O ARG A 48 -8.343 -2.334 -9.211 1.00 0.00 O ATOM 802 CB ARG A 48 -11.044 -1.075 -10.160 1.00 0.00 C ATOM 803 CG ARG A 48 -12.535 -1.229 -10.513 1.00 0.00 C ATOM 804 CD ARG A 48 -12.941 -2.623 -10.997 1.00 0.00 C ATOM 805 NE ARG A 48 -12.546 -2.842 -12.400 1.00 0.00 N ATOM 806 CZ ARG A 48 -12.854 -3.930 -13.120 1.00 0.00 C ATOM 807 NH1 ARG A 48 -13.488 -4.958 -12.580 1.00 0.00 N ATOM 808 NH2 ARG A 48 -12.559 -4.017 -14.412 1.00 0.00 N ATOM 0 H ARG A 48 -11.780 -0.212 -7.946 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.849 -2.784 -8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.801 -0.013 -10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.449 -1.513 -10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.129 -0.978 -9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.787 -0.504 -11.287 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.476 -3.379 -10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.020 -2.744 -10.898 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.998 -2.112 -12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.753 -4.934 -11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.712 -5.775 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.086 -3.244 -14.880 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.805 -4.857 -14.936 1.00 0.00 H new ATOM 822 N TYR A 49 -8.676 -0.581 -7.851 1.00 0.00 N ATOM 823 CA TYR A 49 -7.282 -0.260 -7.577 1.00 0.00 C ATOM 824 C TYR A 49 -7.162 0.123 -6.108 1.00 0.00 C ATOM 825 O TYR A 49 -8.166 0.509 -5.496 1.00 0.00 O ATOM 826 CB TYR A 49 -6.841 0.899 -8.482 1.00 0.00 C ATOM 827 CG TYR A 49 -6.656 0.486 -9.926 1.00 0.00 C ATOM 828 CD1 TYR A 49 -5.455 -0.134 -10.324 1.00 0.00 C ATOM 829 CD2 TYR A 49 -7.702 0.672 -10.848 1.00 0.00 C ATOM 830 CE1 TYR A 49 -5.310 -0.614 -11.639 1.00 0.00 C ATOM 831 CE2 TYR A 49 -7.559 0.210 -12.167 1.00 0.00 C ATOM 832 CZ TYR A 49 -6.371 -0.449 -12.560 1.00 0.00 C ATOM 833 OH TYR A 49 -6.288 -0.949 -13.822 1.00 0.00 O ATOM 0 H TYR A 49 -9.320 0.044 -7.367 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.638 -1.116 -7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.583 1.696 -8.430 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.905 1.311 -8.105 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.644 -0.241 -9.619 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.612 1.168 -10.543 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.397 -1.104 -11.942 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.356 0.358 -12.881 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.111 -0.740 -14.311 1.00 0.00 H new ATOM 843 N ALA A 50 -5.948 0.005 -5.575 1.00 0.00 N ATOM 844 CA ALA A 50 -5.567 0.317 -4.204 1.00 0.00 C ATOM 845 C ALA A 50 -4.273 1.136 -4.231 1.00 0.00 C ATOM 846 O ALA A 50 -3.266 0.692 -4.792 1.00 0.00 O ATOM 847 CB ALA A 50 -5.389 -0.988 -3.421 1.00 0.00 C ATOM 0 H ALA A 50 -5.157 -0.332 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.340 0.904 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.104 -0.760 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.327 -1.544 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.610 -1.590 -3.889 1.00 0.00 H new ATOM 853 N ASP A 51 -4.313 2.338 -3.660 1.00 0.00 N ATOM 854 CA ASP A 51 -3.262 3.350 -3.710 1.00 0.00 C ATOM 855 C ASP A 51 -2.779 3.564 -2.274 1.00 0.00 C ATOM 856 O ASP A 51 -3.596 3.788 -1.375 1.00 0.00 O ATOM 857 CB ASP A 51 -3.813 4.662 -4.310 1.00 0.00 C ATOM 858 CG ASP A 51 -4.149 4.596 -5.806 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.711 3.671 -6.528 1.00 0.00 O ATOM 860 OD2 ASP A 51 -4.837 5.505 -6.322 1.00 0.00 O ATOM 0 H ASP A 51 -5.122 2.648 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.436 3.028 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.712 4.946 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.080 5.453 -4.151 1.00 0.00 H new ATOM 865 N VAL A 52 -1.470 3.450 -2.030 1.00 0.00 N ATOM 866 CA VAL A 52 -0.901 3.336 -0.685 1.00 0.00 C ATOM 867 C VAL A 52 0.211 4.372 -0.510 1.00 0.00 C ATOM 868 O VAL A 52 1.077 4.516 -1.376 1.00 0.00 O ATOM 869 CB VAL A 52 -0.384 1.897 -0.484 1.00 0.00 C ATOM 870 CG1 VAL A 52 0.219 1.677 0.910 1.00 0.00 C ATOM 871 CG2 VAL A 52 -1.496 0.859 -0.699 1.00 0.00 C ATOM 0 H VAL A 52 -0.768 3.434 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.659 3.536 0.073 1.00 0.00 H new ATOM 0 HB VAL A 52 0.397 1.763 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.567 0.648 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.058 2.357 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.539 1.869 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.093 -0.142 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.302 1.036 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.883 0.946 -1.714 1.00 0.00 H new ATOM 881 N TYR A 53 0.202 5.073 0.624 1.00 0.00 N ATOM 882 CA TYR A 53 1.063 6.208 0.910 1.00 0.00 C ATOM 883 C TYR A 53 2.159 5.741 1.868 1.00 0.00 C ATOM 884 O TYR A 53 1.950 5.623 3.078 1.00 0.00 O ATOM 885 CB TYR A 53 0.221 7.342 1.505 1.00 0.00 C ATOM 886 CG TYR A 53 -0.718 8.086 0.554 1.00 0.00 C ATOM 887 CD1 TYR A 53 -1.628 7.406 -0.286 1.00 0.00 C ATOM 888 CD2 TYR A 53 -0.687 9.495 0.512 1.00 0.00 C ATOM 889 CE1 TYR A 53 -2.472 8.105 -1.164 1.00 0.00 C ATOM 890 CE2 TYR A 53 -1.521 10.204 -0.372 1.00 0.00 C ATOM 891 CZ TYR A 53 -2.418 9.517 -1.218 1.00 0.00 C ATOM 892 OH TYR A 53 -3.215 10.217 -2.070 1.00 0.00 O ATOM 0 H TYR A 53 -0.431 4.853 1.393 1.00 0.00 H new ATOM 0 HA TYR A 53 1.533 6.592 0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.378 6.929 2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.900 8.070 1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.675 6.328 -0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.017 10.035 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.161 7.565 -1.797 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.474 11.283 -0.403 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.041 11.176 -1.967 1.00 0.00 H new ATOM 902 N VAL A 54 3.319 5.444 1.296 1.00 0.00 N ATOM 903 CA VAL A 54 4.516 4.878 1.911 1.00 0.00 C ATOM 904 C VAL A 54 5.453 6.003 2.369 1.00 0.00 C ATOM 905 O VAL A 54 6.114 6.653 1.562 1.00 0.00 O ATOM 906 CB VAL A 54 5.221 3.938 0.908 1.00 0.00 C ATOM 907 CG1 VAL A 54 6.277 3.090 1.623 1.00 0.00 C ATOM 908 CG2 VAL A 54 4.231 2.983 0.223 1.00 0.00 C ATOM 0 H VAL A 54 3.460 5.608 0.299 1.00 0.00 H new ATOM 0 HA VAL A 54 4.235 4.295 2.788 1.00 0.00 H new ATOM 0 HB VAL A 54 5.683 4.575 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.765 2.433 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.020 3.744 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.798 2.489 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.769 2.340 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.737 2.369 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.484 3.562 -0.320 1.00 0.00 H new ATOM 918 N SER A 55 5.507 6.252 3.672 1.00 0.00 N ATOM 919 CA SER A 55 6.074 7.464 4.247 1.00 0.00 C ATOM 920 C SER A 55 7.569 7.316 4.576 1.00 0.00 C ATOM 921 O SER A 55 7.962 7.583 5.715 1.00 0.00 O ATOM 922 CB SER A 55 5.170 7.802 5.444 1.00 0.00 C ATOM 923 OG SER A 55 5.229 9.161 5.824 1.00 0.00 O ATOM 0 H SER A 55 5.150 5.602 4.373 1.00 0.00 H new ATOM 0 HA SER A 55 6.080 8.297 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.140 7.546 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.457 7.182 6.293 1.00 0.00 H new ATOM 0 HG SER A 55 5.054 9.727 5.043 1.00 0.00 H new ATOM 929 N PHE A 56 8.405 6.849 3.632 1.00 0.00 N ATOM 930 CA PHE A 56 9.789 6.435 3.916 1.00 0.00 C ATOM 931 C PHE A 56 10.573 7.499 4.689 1.00 0.00 C ATOM 932 O PHE A 56 10.615 8.663 4.287 1.00 0.00 O ATOM 933 CB PHE A 56 10.579 6.077 2.646 1.00 0.00 C ATOM 934 CG PHE A 56 11.903 5.373 2.941 1.00 0.00 C ATOM 935 CD1 PHE A 56 11.886 4.144 3.623 1.00 0.00 C ATOM 936 CD2 PHE A 56 13.146 5.927 2.566 1.00 0.00 C ATOM 937 CE1 PHE A 56 13.077 3.449 3.889 1.00 0.00 C ATOM 938 CE2 PHE A 56 14.348 5.250 2.865 1.00 0.00 C ATOM 939 CZ PHE A 56 14.312 4.001 3.518 1.00 0.00 C ATOM 0 H PHE A 56 8.140 6.748 2.652 1.00 0.00 H new ATOM 0 HA PHE A 56 9.686 5.542 4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.966 5.435 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.777 6.987 2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.943 3.728 3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.178 6.874 2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.042 2.488 4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.296 5.689 2.593 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.229 3.473 3.731 1.00 0.00 H new ATOM 949 N LEU A 57 11.214 7.084 5.783 1.00 0.00 N ATOM 950 CA LEU A 57 12.009 7.942 6.659 1.00 0.00 C ATOM 951 C LEU A 57 13.393 8.183 6.024 1.00 0.00 C ATOM 952 O LEU A 57 14.421 7.779 6.577 1.00 0.00 O ATOM 953 CB LEU A 57 12.060 7.281 8.059 1.00 0.00 C ATOM 954 CG LEU A 57 12.044 8.282 9.227 1.00 0.00 C ATOM 955 CD1 LEU A 57 11.821 7.535 10.542 1.00 0.00 C ATOM 956 CD2 LEU A 57 13.371 9.032 9.319 1.00 0.00 C ATOM 0 H LEU A 57 11.193 6.112 6.092 1.00 0.00 H new ATOM 0 HA LEU A 57 11.564 8.929 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.210 6.606 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.961 6.672 8.129 1.00 0.00 H new ATOM 0 HG LEU A 57 11.238 8.994 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.810 8.247 11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.867 7.009 10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.626 6.816 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.335 9.734 10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.181 8.320 9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.545 9.578 8.392 1.00 0.00 H new ATOM 968 N GLY A 58 13.440 8.750 4.817 1.00 0.00 N ATOM 969 CA GLY A 58 14.647 8.819 3.997 1.00 0.00 C ATOM 970 C GLY A 58 14.643 9.986 3.014 1.00 0.00 C ATOM 971 O GLY A 58 13.697 10.776 2.951 1.00 0.00 O ATOM 0 H GLY A 58 12.627 9.180 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.516 8.905 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.755 7.887 3.443 1.00 0.00 H new ATOM 975 N THR A 59 15.731 10.089 2.255 1.00 0.00 N ATOM 976 CA THR A 59 15.964 11.128 1.257 1.00 0.00 C ATOM 977 C THR A 59 15.105 10.860 0.012 1.00 0.00 C ATOM 978 O THR A 59 14.672 9.726 -0.208 1.00 0.00 O ATOM 979 CB THR A 59 17.470 11.194 0.930 1.00 0.00 C ATOM 980 OG1 THR A 59 17.970 9.932 0.536 1.00 0.00 O ATOM 981 CG2 THR A 59 18.276 11.654 2.148 1.00 0.00 C ATOM 0 H THR A 59 16.503 9.426 2.321 1.00 0.00 H new ATOM 0 HA THR A 59 15.667 12.101 1.648 1.00 0.00 H new ATOM 0 HB THR A 59 17.578 11.907 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.926 10.007 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.334 11.692 1.891 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.941 12.645 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.127 10.952 2.969 1.00 0.00 H new ATOM 989 N PRO A 60 14.844 11.872 -0.832 1.00 0.00 N ATOM 990 CA PRO A 60 13.865 11.745 -1.901 1.00 0.00 C ATOM 991 C PRO A 60 14.372 10.928 -3.097 1.00 0.00 C ATOM 992 O PRO A 60 13.576 10.601 -3.980 1.00 0.00 O ATOM 993 CB PRO A 60 13.519 13.183 -2.295 1.00 0.00 C ATOM 994 CG PRO A 60 14.797 13.953 -1.982 1.00 0.00 C ATOM 995 CD PRO A 60 15.325 13.242 -0.739 1.00 0.00 C ATOM 0 HA PRO A 60 12.991 11.189 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.253 13.258 -3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.671 13.563 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.508 13.908 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.597 15.007 -1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 60 16.414 13.273 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.963 13.723 0.170 1.00 0.00 H new ATOM 1003 N GLU A 61 15.671 10.633 -3.178 1.00 0.00 N ATOM 1004 CA GLU A 61 16.234 9.728 -4.178 1.00 0.00 C ATOM 1005 C GLU A 61 15.948 8.298 -3.726 1.00 0.00 C ATOM 1006 O GLU A 61 15.238 7.564 -4.412 1.00 0.00 O ATOM 1007 CB GLU A 61 17.744 9.987 -4.341 1.00 0.00 C ATOM 1008 CG GLU A 61 18.013 11.365 -4.967 1.00 0.00 C ATOM 1009 CD GLU A 61 19.492 11.672 -5.235 1.00 0.00 C ATOM 1010 OE1 GLU A 61 20.370 10.772 -5.196 1.00 0.00 O ATOM 1011 OE2 GLU A 61 19.795 12.853 -5.515 1.00 0.00 O ATOM 0 H GLU A 61 16.368 11.021 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 61 15.779 9.895 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 61 18.232 9.926 -3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.182 9.210 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.466 11.434 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.611 12.133 -4.307 1.00 0.00 H new ATOM 1018 N GLU A 62 16.427 7.934 -2.535 1.00 0.00 N ATOM 1019 CA GLU A 62 16.273 6.601 -1.966 1.00 0.00 C ATOM 1020 C GLU A 62 14.803 6.245 -1.775 1.00 0.00 C ATOM 1021 O GLU A 62 14.392 5.130 -2.091 1.00 0.00 O ATOM 1022 CB GLU A 62 17.037 6.539 -0.635 1.00 0.00 C ATOM 1023 CG GLU A 62 18.532 6.256 -0.841 1.00 0.00 C ATOM 1024 CD GLU A 62 18.826 4.792 -1.203 1.00 0.00 C ATOM 1025 OE1 GLU A 62 18.342 4.274 -2.233 1.00 0.00 O ATOM 1026 OE2 GLU A 62 19.569 4.120 -0.449 1.00 0.00 O ATOM 0 H GLU A 62 16.943 8.573 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 62 16.687 5.866 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.917 7.483 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.605 5.762 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.912 6.903 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 62 19.073 6.514 0.069 1.00 0.00 H new ATOM 1033 N ARG A 63 13.976 7.202 -1.337 1.00 0.00 N ATOM 1034 CA ARG A 63 12.537 7.008 -1.188 1.00 0.00 C ATOM 1035 C ARG A 63 11.871 6.561 -2.490 1.00 0.00 C ATOM 1036 O ARG A 63 10.816 5.942 -2.387 1.00 0.00 O ATOM 1037 CB ARG A 63 11.898 8.286 -0.608 1.00 0.00 C ATOM 1038 CG ARG A 63 10.367 8.214 -0.483 1.00 0.00 C ATOM 1039 CD ARG A 63 9.756 9.358 0.330 1.00 0.00 C ATOM 1040 NE ARG A 63 9.839 10.639 -0.385 1.00 0.00 N ATOM 1041 CZ ARG A 63 9.179 11.756 -0.072 1.00 0.00 C ATOM 1042 NH1 ARG A 63 8.322 11.792 0.939 1.00 0.00 N ATOM 1043 NH2 ARG A 63 9.366 12.860 -0.775 1.00 0.00 N ATOM 0 H ARG A 63 14.292 8.136 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 63 12.371 6.192 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.325 8.480 0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.162 9.133 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.930 8.218 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.094 7.266 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.713 9.131 0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.273 9.441 1.286 1.00 0.00 H new ATOM 0 HE ARG A 63 10.458 10.678 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.156 10.954 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.829 12.657 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.017 12.860 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.859 13.711 -0.532 1.00 0.00 H new ATOM 1057 N LYS A 64 12.437 6.823 -3.675 1.00 0.00 N ATOM 1058 CA LYS A 64 11.887 6.295 -4.922 1.00 0.00 C ATOM 1059 C LYS A 64 12.352 4.876 -5.198 1.00 0.00 C ATOM 1060 O LYS A 64 11.556 4.099 -5.720 1.00 0.00 O ATOM 1061 CB LYS A 64 12.272 7.165 -6.117 1.00 0.00 C ATOM 1062 CG LYS A 64 11.516 8.498 -6.166 1.00 0.00 C ATOM 1063 CD LYS A 64 11.799 9.258 -7.467 1.00 0.00 C ATOM 1064 CE LYS A 64 13.305 9.493 -7.652 1.00 0.00 C ATOM 1065 NZ LYS A 64 13.598 10.456 -8.726 1.00 0.00 N ATOM 0 H LYS A 64 13.273 7.396 -3.792 1.00 0.00 H new ATOM 0 HA LYS A 64 10.805 6.299 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.343 7.364 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.080 6.612 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.445 8.314 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.806 9.113 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.409 8.694 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.277 10.215 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.730 9.857 -6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.793 8.544 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.627 10.579 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.217 10.099 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.157 11.371 -8.502 1.00 0.00 H new ATOM 1079 N GLU A 65 13.601 4.518 -4.894 1.00 0.00 N ATOM 1080 CA GLU A 65 14.096 3.182 -5.213 1.00 0.00 C ATOM 1081 C GLU A 65 13.269 2.113 -4.481 1.00 0.00 C ATOM 1082 O GLU A 65 13.002 1.053 -5.056 1.00 0.00 O ATOM 1083 CB GLU A 65 15.613 3.072 -4.962 1.00 0.00 C ATOM 1084 CG GLU A 65 16.096 1.630 -5.192 1.00 0.00 C ATOM 1085 CD GLU A 65 17.550 1.499 -5.647 1.00 0.00 C ATOM 1086 OE1 GLU A 65 18.453 1.307 -4.801 1.00 0.00 O ATOM 1087 OE2 GLU A 65 17.768 1.368 -6.878 1.00 0.00 O ATOM 0 H GLU A 65 14.278 5.126 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 65 13.963 2.998 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.147 3.751 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.842 3.380 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.969 1.069 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.454 1.163 -5.939 1.00 0.00 H new ATOM 1094 N THR A 66 12.787 2.399 -3.266 1.00 0.00 N ATOM 1095 CA THR A 66 11.915 1.489 -2.529 1.00 0.00 C ATOM 1096 C THR A 66 10.614 1.213 -3.291 1.00 0.00 C ATOM 1097 O THR A 66 10.082 0.106 -3.216 1.00 0.00 O ATOM 1098 CB THR A 66 11.596 2.044 -1.132 1.00 0.00 C ATOM 1099 OG1 THR A 66 10.772 3.181 -1.240 1.00 0.00 O ATOM 1100 CG2 THR A 66 12.832 2.482 -0.354 1.00 0.00 C ATOM 0 H THR A 66 12.992 3.267 -2.771 1.00 0.00 H new ATOM 0 HA THR A 66 12.453 0.547 -2.420 1.00 0.00 H new ATOM 0 HB THR A 66 11.112 1.225 -0.601 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.241 3.878 -1.745 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.531 2.863 0.622 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.499 1.630 -0.222 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.350 3.266 -0.906 1.00 0.00 H new ATOM 1108 N VAL A 67 10.097 2.198 -4.032 1.00 0.00 N ATOM 1109 CA VAL A 67 8.824 2.113 -4.731 1.00 0.00 C ATOM 1110 C VAL A 67 8.934 1.056 -5.827 1.00 0.00 C ATOM 1111 O VAL A 67 7.966 0.323 -6.039 1.00 0.00 O ATOM 1112 CB VAL A 67 8.396 3.497 -5.274 1.00 0.00 C ATOM 1113 CG1 VAL A 67 6.986 3.475 -5.870 1.00 0.00 C ATOM 1114 CG2 VAL A 67 8.374 4.557 -4.166 1.00 0.00 C ATOM 0 H VAL A 67 10.567 3.094 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 67 8.038 1.807 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 67 9.133 3.741 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.731 4.469 -6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.951 2.763 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.271 3.177 -5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.069 5.516 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.668 4.259 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.370 4.651 -3.733 1.00 0.00 H new ATOM 1124 N GLU A 68 10.095 0.921 -6.479 1.00 0.00 N ATOM 1125 CA GLU A 68 10.338 -0.183 -7.395 1.00 0.00 C ATOM 1126 C GLU A 68 10.353 -1.507 -6.630 1.00 0.00 C ATOM 1127 O GLU A 68 9.641 -2.427 -7.033 1.00 0.00 O ATOM 1128 CB GLU A 68 11.635 -0.002 -8.200 1.00 0.00 C ATOM 1129 CG GLU A 68 11.460 0.907 -9.434 1.00 0.00 C ATOM 1130 CD GLU A 68 12.484 0.661 -10.557 1.00 0.00 C ATOM 1131 OE1 GLU A 68 13.323 -0.264 -10.449 1.00 0.00 O ATOM 1132 OE2 GLU A 68 12.372 1.324 -11.616 1.00 0.00 O ATOM 0 H GLU A 68 10.878 1.568 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 68 9.521 -0.196 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.402 0.420 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.994 -0.979 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.457 0.764 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.531 1.947 -9.116 1.00 0.00 H new ATOM 1139 N ILE A 69 11.125 -1.615 -5.539 1.00 0.00 N ATOM 1140 CA ILE A 69 11.264 -2.861 -4.772 1.00 0.00 C ATOM 1141 C ILE A 69 9.883 -3.359 -4.326 1.00 0.00 C ATOM 1142 O ILE A 69 9.599 -4.559 -4.401 1.00 0.00 O ATOM 1143 CB ILE A 69 12.236 -2.694 -3.571 1.00 0.00 C ATOM 1144 CG1 ILE A 69 13.620 -2.172 -4.023 1.00 0.00 C ATOM 1145 CG2 ILE A 69 12.430 -4.045 -2.849 1.00 0.00 C ATOM 1146 CD1 ILE A 69 14.555 -1.806 -2.864 1.00 0.00 C ATOM 0 H ILE A 69 11.671 -0.840 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 69 11.706 -3.617 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 69 11.789 -1.965 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.101 -2.932 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.478 -1.294 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.113 -3.914 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.468 -4.403 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.846 -4.773 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.505 -1.449 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.097 -1.023 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.729 -2.686 -2.245 1.00 0.00 H new ATOM 1158 N LEU A 70 9.018 -2.439 -3.909 1.00 0.00 N ATOM 1159 CA LEU A 70 7.647 -2.703 -3.519 1.00 0.00 C ATOM 1160 C LEU A 70 6.791 -3.110 -4.708 1.00 0.00 C ATOM 1161 O LEU A 70 6.041 -4.080 -4.619 1.00 0.00 O ATOM 1162 CB LEU A 70 7.058 -1.432 -2.891 1.00 0.00 C ATOM 1163 CG LEU A 70 7.399 -1.278 -1.410 1.00 0.00 C ATOM 1164 CD1 LEU A 70 7.037 0.140 -0.959 1.00 0.00 C ATOM 1165 CD2 LEU A 70 6.685 -2.341 -0.553 1.00 0.00 C ATOM 0 H LEU A 70 9.268 -1.453 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 70 7.648 -3.528 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.427 -0.562 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.974 -1.445 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 70 8.469 -1.435 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.277 0.258 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.605 0.864 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.971 0.309 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.950 -2.202 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.606 -2.239 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.993 -3.336 -0.876 1.00 0.00 H new ATOM 1177 N ASN A 71 6.866 -2.368 -5.815 1.00 0.00 N ATOM 1178 CA ASN A 71 6.026 -2.619 -6.982 1.00 0.00 C ATOM 1179 C ASN A 71 6.351 -3.966 -7.634 1.00 0.00 C ATOM 1180 O ASN A 71 5.474 -4.591 -8.229 1.00 0.00 O ATOM 1181 CB ASN A 71 6.181 -1.508 -8.025 1.00 0.00 C ATOM 1182 CG ASN A 71 5.091 -0.459 -7.861 1.00 0.00 C ATOM 1183 OD1 ASN A 71 4.054 -0.534 -8.513 1.00 0.00 O ATOM 1184 ND2 ASN A 71 5.280 0.498 -6.967 1.00 0.00 N ATOM 0 H ASN A 71 7.507 -1.582 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 71 4.996 -2.639 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.160 -1.041 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.134 -1.934 -9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.554 1.196 -6.806 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.152 0.537 -6.439 1.00 0.00 H new ATOM 1191 N ARG A 72 7.600 -4.424 -7.536 1.00 0.00 N ATOM 1192 CA ARG A 72 7.988 -5.809 -7.821 1.00 0.00 C ATOM 1193 C ARG A 72 7.156 -6.734 -6.924 1.00 0.00 C ATOM 1194 O ARG A 72 6.349 -7.514 -7.429 1.00 0.00 O ATOM 1195 CB ARG A 72 9.486 -6.032 -7.540 1.00 0.00 C ATOM 1196 CG ARG A 72 10.521 -5.266 -8.377 1.00 0.00 C ATOM 1197 CD ARG A 72 10.925 -5.988 -9.659 1.00 0.00 C ATOM 1198 NE ARG A 72 10.019 -5.636 -10.752 1.00 0.00 N ATOM 1199 CZ ARG A 72 9.420 -6.449 -11.618 1.00 0.00 C ATOM 1200 NH1 ARG A 72 9.429 -7.770 -11.477 1.00 0.00 N ATOM 1201 NH2 ARG A 72 8.805 -5.894 -12.647 1.00 0.00 N ATOM 0 H ARG A 72 8.383 -3.835 -7.252 1.00 0.00 H new ATOM 0 HA ARG A 72 7.807 -6.024 -8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.664 -5.789 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.689 -7.096 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.116 -4.287 -8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.411 -5.094 -7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.948 -5.722 -9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.908 -7.066 -9.497 1.00 0.00 H new ATOM 0 HE ARG A 72 9.822 -4.642 -10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.907 -8.195 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.958 -8.359 -12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.803 -4.880 -12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.333 -6.480 -13.335 1.00 0.00 H new ATOM 1215 N ALA A 73 7.333 -6.614 -5.602 1.00 0.00 N ATOM 1216 CA ALA A 73 6.769 -7.475 -4.561 1.00 0.00 C ATOM 1217 C ALA A 73 5.242 -7.366 -4.395 1.00 0.00 C ATOM 1218 O ALA A 73 4.670 -7.984 -3.492 1.00 0.00 O ATOM 1219 CB ALA A 73 7.475 -7.151 -3.236 1.00 0.00 C ATOM 0 H ALA A 73 7.908 -5.868 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 73 6.943 -8.506 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.070 -7.782 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.544 -7.338 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.312 -6.103 -2.984 1.00 0.00 H new ATOM 1225 N LYS A 74 4.548 -6.582 -5.227 1.00 0.00 N ATOM 1226 CA LYS A 74 3.117 -6.335 -5.083 1.00 0.00 C ATOM 1227 C LYS A 74 2.283 -7.618 -5.173 1.00 0.00 C ATOM 1228 O LYS A 74 1.135 -7.618 -4.735 1.00 0.00 O ATOM 1229 CB LYS A 74 2.673 -5.257 -6.088 1.00 0.00 C ATOM 1230 CG LYS A 74 2.521 -5.782 -7.523 1.00 0.00 C ATOM 1231 CD LYS A 74 2.119 -4.653 -8.477 1.00 0.00 C ATOM 1232 CE LYS A 74 1.518 -5.239 -9.754 1.00 0.00 C ATOM 1233 NZ LYS A 74 1.383 -4.227 -10.815 1.00 0.00 N ATOM 0 H LYS A 74 4.969 -6.101 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 74 2.933 -5.956 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.722 -4.836 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.400 -4.445 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.460 -6.226 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.769 -6.571 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.396 -3.996 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.990 -4.044 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.147 -6.055 -10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.539 -5.664 -9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.972 -4.666 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.762 -3.460 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.320 -3.839 -11.046 1.00 0.00 H new ATOM 1247 N GLY A 75 2.818 -8.700 -5.745 1.00 0.00 N ATOM 1248 CA GLY A 75 2.121 -9.976 -5.850 1.00 0.00 C ATOM 1249 C GLY A 75 2.020 -10.632 -4.481 1.00 0.00 C ATOM 1250 O GLY A 75 0.917 -10.958 -4.045 1.00 0.00 O ATOM 0 H GLY A 75 3.754 -8.711 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.124 -9.821 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.652 -10.633 -6.538 1.00 0.00 H new ATOM 1254 N PHE A 76 3.153 -10.770 -3.783 1.00 0.00 N ATOM 1255 CA PHE A 76 3.229 -11.286 -2.415 1.00 0.00 C ATOM 1256 C PHE A 76 2.322 -10.483 -1.484 1.00 0.00 C ATOM 1257 O PHE A 76 1.644 -11.051 -0.625 1.00 0.00 O ATOM 1258 CB PHE A 76 4.679 -11.208 -1.914 1.00 0.00 C ATOM 1259 CG PHE A 76 4.809 -11.342 -0.408 1.00 0.00 C ATOM 1260 CD1 PHE A 76 4.678 -12.588 0.238 1.00 0.00 C ATOM 1261 CD2 PHE A 76 4.972 -10.180 0.365 1.00 0.00 C ATOM 1262 CE1 PHE A 76 4.750 -12.670 1.641 1.00 0.00 C ATOM 1263 CE2 PHE A 76 5.051 -10.267 1.759 1.00 0.00 C ATOM 1264 CZ PHE A 76 4.946 -11.508 2.406 1.00 0.00 C ATOM 0 H PHE A 76 4.065 -10.519 -4.165 1.00 0.00 H new ATOM 0 HA PHE A 76 2.896 -12.324 -2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.263 -11.995 -2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.111 -10.257 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.522 -13.483 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.037 -9.217 -0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.654 -13.628 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.194 -9.370 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.015 -11.569 3.482 1.00 0.00 H new ATOM 1274 N PHE A 77 2.300 -9.160 -1.663 1.00 0.00 N ATOM 1275 CA PHE A 77 1.353 -8.326 -0.957 1.00 0.00 C ATOM 1276 C PHE A 77 -0.068 -8.734 -1.302 1.00 0.00 C ATOM 1277 O PHE A 77 -0.776 -9.235 -0.434 1.00 0.00 O ATOM 1278 CB PHE A 77 1.647 -6.835 -1.176 1.00 0.00 C ATOM 1279 CG PHE A 77 2.792 -6.387 -0.296 1.00 0.00 C ATOM 1280 CD1 PHE A 77 2.636 -6.510 1.095 1.00 0.00 C ATOM 1281 CD2 PHE A 77 4.011 -5.914 -0.820 1.00 0.00 C ATOM 1282 CE1 PHE A 77 3.700 -6.232 1.958 1.00 0.00 C ATOM 1283 CE2 PHE A 77 5.063 -5.593 0.052 1.00 0.00 C ATOM 1284 CZ PHE A 77 4.915 -5.763 1.440 1.00 0.00 C ATOM 0 H PHE A 77 2.927 -8.655 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 77 1.465 -8.483 0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.894 -6.657 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.757 -6.246 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.685 -6.822 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.135 -5.799 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.586 -6.378 3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.992 -5.213 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.735 -5.533 2.105 1.00 0.00 H new ATOM 1294 N ARG A 78 -0.505 -8.554 -2.549 1.00 0.00 N ATOM 1295 CA ARG A 78 -1.912 -8.708 -2.906 1.00 0.00 C ATOM 1296 C ARG A 78 -2.445 -10.100 -2.545 1.00 0.00 C ATOM 1297 O ARG A 78 -3.590 -10.193 -2.106 1.00 0.00 O ATOM 1298 CB ARG A 78 -2.091 -8.381 -4.397 1.00 0.00 C ATOM 1299 CG ARG A 78 -3.550 -8.052 -4.747 1.00 0.00 C ATOM 1300 CD ARG A 78 -3.782 -8.037 -6.264 1.00 0.00 C ATOM 1301 NE ARG A 78 -3.734 -9.405 -6.797 1.00 0.00 N ATOM 1302 CZ ARG A 78 -3.304 -9.814 -7.993 1.00 0.00 C ATOM 1303 NH1 ARG A 78 -2.976 -8.957 -8.951 1.00 0.00 N ATOM 1304 NH2 ARG A 78 -3.178 -11.116 -8.213 1.00 0.00 N ATOM 0 H ARG A 78 0.100 -8.300 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.507 -8.006 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.456 -7.535 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.758 -9.229 -4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.209 -8.787 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.814 -7.080 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.749 -7.585 -6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.024 -7.423 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.073 -10.137 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.049 -7.953 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.651 -9.302 -9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.408 -11.782 -7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.851 -11.451 -9.119 1.00 0.00 H new ATOM 1318 N THR A 79 -1.645 -11.163 -2.661 1.00 0.00 N ATOM 1319 CA THR A 79 -2.079 -12.523 -2.357 1.00 0.00 C ATOM 1320 C THR A 79 -2.405 -12.700 -0.857 1.00 0.00 C ATOM 1321 O THR A 79 -3.252 -13.529 -0.505 1.00 0.00 O ATOM 1322 CB THR A 79 -1.095 -13.518 -2.985 1.00 0.00 C ATOM 1323 OG1 THR A 79 -1.681 -14.771 -3.261 1.00 0.00 O ATOM 1324 CG2 THR A 79 0.059 -13.759 -2.053 1.00 0.00 C ATOM 0 H THR A 79 -0.675 -11.101 -2.970 1.00 0.00 H new ATOM 0 HA THR A 79 -3.039 -12.745 -2.823 1.00 0.00 H new ATOM 0 HB THR A 79 -0.770 -13.068 -3.923 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.011 -15.364 -3.661 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.752 -14.467 -2.508 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.575 -12.818 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.312 -14.167 -1.113 1.00 0.00 H new ATOM 1332 N PHE A 80 -1.774 -11.918 0.026 1.00 0.00 N ATOM 1333 CA PHE A 80 -2.056 -11.861 1.460 1.00 0.00 C ATOM 1334 C PHE A 80 -3.391 -11.157 1.702 1.00 0.00 C ATOM 1335 O PHE A 80 -4.195 -11.590 2.525 1.00 0.00 O ATOM 1336 CB PHE A 80 -0.922 -11.100 2.166 1.00 0.00 C ATOM 1337 CG PHE A 80 -1.001 -11.076 3.677 1.00 0.00 C ATOM 1338 CD1 PHE A 80 -1.841 -10.146 4.321 1.00 0.00 C ATOM 1339 CD2 PHE A 80 -0.188 -11.936 4.441 1.00 0.00 C ATOM 1340 CE1 PHE A 80 -1.894 -10.113 5.725 1.00 0.00 C ATOM 1341 CE2 PHE A 80 -0.220 -11.875 5.845 1.00 0.00 C ATOM 1342 CZ PHE A 80 -1.085 -10.972 6.485 1.00 0.00 C ATOM 0 H PHE A 80 -1.025 -11.284 -0.252 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.119 -12.873 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.029 -11.547 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.915 -10.072 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.441 -9.462 3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.461 -12.644 3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.560 -9.423 6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.419 -12.520 6.430 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.128 -10.939 7.564 1.00 0.00 H new ATOM 1352 N ILE A 81 -3.638 -10.056 0.993 1.00 0.00 N ATOM 1353 CA ILE A 81 -4.858 -9.273 1.149 1.00 0.00 C ATOM 1354 C ILE A 81 -6.030 -10.141 0.684 1.00 0.00 C ATOM 1355 O ILE A 81 -6.984 -10.345 1.430 1.00 0.00 O ATOM 1356 CB ILE A 81 -4.789 -7.922 0.389 1.00 0.00 C ATOM 1357 CG1 ILE A 81 -3.380 -7.301 0.404 1.00 0.00 C ATOM 1358 CG2 ILE A 81 -5.790 -6.943 1.022 1.00 0.00 C ATOM 1359 CD1 ILE A 81 -3.214 -6.046 -0.440 1.00 0.00 C ATOM 0 H ILE A 81 -2.995 -9.683 0.294 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.992 -9.002 2.196 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.040 -8.116 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.116 -7.063 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.667 -8.049 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.749 -5.990 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.797 -7.355 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.535 -6.789 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.187 -5.688 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.440 -6.275 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.896 -5.274 -0.083 1.00 0.00 H new ATOM 1371 N ALA A 82 -5.926 -10.708 -0.523 1.00 0.00 N ATOM 1372 CA ALA A 82 -6.956 -11.524 -1.152 1.00 0.00 C ATOM 1373 C ALA A 82 -7.380 -12.700 -0.263 1.00 0.00 C ATOM 1374 O ALA A 82 -8.574 -12.976 -0.152 1.00 0.00 O ATOM 1375 CB ALA A 82 -6.436 -12.000 -2.513 1.00 0.00 C ATOM 0 H ALA A 82 -5.093 -10.605 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.853 -10.922 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.195 -12.613 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.212 -11.136 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.530 -12.590 -2.371 1.00 0.00 H new ATOM 1381 N LYS A 83 -6.411 -13.335 0.414 1.00 0.00 N ATOM 1382 CA LYS A 83 -6.624 -14.373 1.424 1.00 0.00 C ATOM 1383 C LYS A 83 -7.664 -13.896 2.438 1.00 0.00 C ATOM 1384 O LYS A 83 -8.731 -14.489 2.552 1.00 0.00 O ATOM 1385 CB LYS A 83 -5.263 -14.751 2.064 1.00 0.00 C ATOM 1386 CG LYS A 83 -5.339 -15.592 3.342 1.00 0.00 C ATOM 1387 CD LYS A 83 -3.963 -16.043 3.852 1.00 0.00 C ATOM 1388 CE LYS A 83 -3.452 -17.239 3.029 1.00 0.00 C ATOM 1389 NZ LYS A 83 -2.235 -17.874 3.582 1.00 0.00 N ATOM 0 H LYS A 83 -5.423 -13.129 0.265 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.025 -15.281 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.675 -15.297 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.720 -13.833 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.836 -15.014 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.956 -16.471 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.254 -15.217 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.031 -16.320 4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.242 -17.987 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.245 -16.905 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.952 -18.670 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.465 -17.176 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.431 -18.224 4.542 1.00 0.00 H new ATOM 1403 N ASN A 84 -7.355 -12.809 3.141 1.00 0.00 N ATOM 1404 CA ASN A 84 -8.139 -12.324 4.274 1.00 0.00 C ATOM 1405 C ASN A 84 -9.489 -11.774 3.811 1.00 0.00 C ATOM 1406 O ASN A 84 -10.482 -11.840 4.537 1.00 0.00 O ATOM 1407 CB ASN A 84 -7.340 -11.238 5.013 1.00 0.00 C ATOM 1408 CG ASN A 84 -6.184 -11.828 5.812 1.00 0.00 C ATOM 1409 OD1 ASN A 84 -6.273 -11.957 7.026 1.00 0.00 O ATOM 1410 ND2 ASN A 84 -5.081 -12.186 5.167 1.00 0.00 N ATOM 0 H ASN A 84 -6.540 -12.231 2.936 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.336 -13.155 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.953 -10.518 4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.004 -10.692 5.684 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.292 -12.575 5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.022 -12.072 4.155 1.00 0.00 H new ATOM 1417 N LEU A 85 -9.535 -11.220 2.597 1.00 0.00 N ATOM 1418 CA LEU A 85 -10.759 -10.718 1.983 1.00 0.00 C ATOM 1419 C LEU A 85 -11.686 -11.854 1.530 1.00 0.00 C ATOM 1420 O LEU A 85 -12.882 -11.618 1.387 1.00 0.00 O ATOM 1421 CB LEU A 85 -10.398 -9.776 0.815 1.00 0.00 C ATOM 1422 CG LEU A 85 -10.327 -8.280 1.182 1.00 0.00 C ATOM 1423 CD1 LEU A 85 -11.729 -7.713 1.426 1.00 0.00 C ATOM 1424 CD2 LEU A 85 -9.445 -7.979 2.404 1.00 0.00 C ATOM 0 H LEU A 85 -8.710 -11.108 2.008 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.316 -10.155 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.434 -10.081 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.135 -9.906 0.022 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.863 -7.795 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.654 -6.656 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.329 -7.825 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.203 -8.254 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.446 -6.906 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.837 -8.506 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.426 -8.311 2.208 1.00 0.00 H new ATOM 1436 N ARG A 86 -11.163 -13.076 1.349 1.00 0.00 N ATOM 1437 CA ARG A 86 -11.841 -14.280 0.838 1.00 0.00 C ATOM 1438 C ARG A 86 -12.108 -14.207 -0.670 1.00 0.00 C ATOM 1439 O ARG A 86 -12.963 -14.935 -1.187 1.00 0.00 O ATOM 1440 CB ARG A 86 -13.119 -14.621 1.640 1.00 0.00 C ATOM 1441 CG ARG A 86 -12.882 -14.656 3.157 1.00 0.00 C ATOM 1442 CD ARG A 86 -14.098 -15.207 3.910 1.00 0.00 C ATOM 1443 NE ARG A 86 -15.217 -14.254 3.970 1.00 0.00 N ATOM 1444 CZ ARG A 86 -16.273 -14.356 4.787 1.00 0.00 C ATOM 1445 NH1 ARG A 86 -16.407 -15.411 5.588 1.00 0.00 N ATOM 1446 NH2 ARG A 86 -17.165 -13.375 4.796 1.00 0.00 N ATOM 0 H ARG A 86 -10.185 -13.264 1.571 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.148 -15.107 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.890 -13.884 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.498 -15.590 1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.010 -15.272 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.659 -13.650 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.434 -16.123 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.800 -15.474 4.924 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.186 -13.453 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.702 -16.149 5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.214 -15.482 6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.039 -12.565 4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.978 -13.430 5.410 1.00 0.00 H new ATOM 1460 N LEU A 87 -11.392 -13.336 -1.386 1.00 0.00 N ATOM 1461 CA LEU A 87 -11.677 -12.962 -2.770 1.00 0.00 C ATOM 1462 C LEU A 87 -10.562 -13.467 -3.675 1.00 0.00 C ATOM 1463 O LEU A 87 -9.450 -13.720 -3.209 1.00 0.00 O ATOM 1464 CB LEU A 87 -11.856 -11.433 -2.872 1.00 0.00 C ATOM 1465 CG LEU A 87 -12.990 -10.888 -1.981 1.00 0.00 C ATOM 1466 CD1 LEU A 87 -13.087 -9.362 -2.070 1.00 0.00 C ATOM 1467 CD2 LEU A 87 -14.373 -11.504 -2.234 1.00 0.00 C ATOM 0 H LEU A 87 -10.575 -12.859 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.608 -13.425 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.921 -10.946 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.059 -11.167 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.702 -11.192 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.896 -9.011 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.147 -8.918 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.287 -9.070 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.101 -11.055 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.672 -11.316 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.330 -12.579 -2.058 1.00 0.00 H new ATOM 1479 N TYR A 88 -10.851 -13.634 -4.969 1.00 0.00 N ATOM 1480 CA TYR A 88 -9.873 -14.078 -5.967 1.00 0.00 C ATOM 1481 C TYR A 88 -9.190 -12.862 -6.573 1.00 0.00 C ATOM 1482 O TYR A 88 -7.994 -12.624 -6.363 1.00 0.00 O ATOM 1483 CB TYR A 88 -10.417 -15.025 -7.050 1.00 0.00 C ATOM 1484 CG TYR A 88 -11.895 -14.918 -7.269 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -12.709 -15.486 -6.288 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -12.452 -14.207 -8.338 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -14.100 -15.307 -6.330 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -13.845 -14.033 -8.398 1.00 0.00 C ATOM 1489 CZ TYR A 88 -14.670 -14.531 -7.364 1.00 0.00 C ATOM 1490 OH TYR A 88 -15.981 -14.180 -7.292 1.00 0.00 O ATOM 0 H TYR A 88 -11.779 -13.463 -5.357 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.150 -14.694 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.905 -14.817 -7.990 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.175 -16.052 -6.775 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -12.266 -16.066 -5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.817 -13.796 -9.109 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -14.730 -15.759 -5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.287 -13.517 -9.237 1.00 0.00 H new ATOM 0 HH TYR A 88 -16.220 -13.647 -8.078 1.00 0.00 H new ATOM 1500 N VAL A 89 -9.946 -12.094 -7.357 1.00 0.00 N ATOM 1501 CA VAL A 89 -9.454 -10.834 -7.879 1.00 0.00 C ATOM 1502 C VAL A 89 -9.400 -9.877 -6.688 1.00 0.00 C ATOM 1503 O VAL A 89 -10.282 -9.896 -5.823 1.00 0.00 O ATOM 1504 CB VAL A 89 -10.333 -10.328 -9.042 1.00 0.00 C ATOM 1505 CG1 VAL A 89 -9.696 -9.113 -9.714 1.00 0.00 C ATOM 1506 CG2 VAL A 89 -10.561 -11.416 -10.109 1.00 0.00 C ATOM 0 H VAL A 89 -10.898 -12.327 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.461 -10.930 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.295 -10.054 -8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.333 -8.773 -10.531 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.583 -8.311 -8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.717 -9.386 -10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.185 -11.016 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.601 -11.730 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.059 -12.273 -9.655 1.00 0.00 H new ATOM 1516 N ALA A 90 -8.355 -9.056 -6.628 1.00 0.00 N ATOM 1517 CA ALA A 90 -8.180 -8.017 -5.628 1.00 0.00 C ATOM 1518 C ALA A 90 -7.732 -6.737 -6.343 1.00 0.00 C ATOM 1519 O ALA A 90 -7.179 -6.829 -7.449 1.00 0.00 O ATOM 1520 CB ALA A 90 -7.151 -8.489 -4.595 1.00 0.00 C ATOM 0 H ALA A 90 -7.586 -9.100 -7.296 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.110 -7.809 -5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.013 -7.715 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.507 -9.402 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.201 -8.685 -5.092 1.00 0.00 H new ATOM 1526 N PRO A 91 -7.943 -5.545 -5.758 1.00 0.00 N ATOM 1527 CA PRO A 91 -7.440 -4.298 -6.316 1.00 0.00 C ATOM 1528 C PRO A 91 -5.926 -4.380 -6.505 1.00 0.00 C ATOM 1529 O PRO A 91 -5.222 -4.978 -5.685 1.00 0.00 O ATOM 1530 CB PRO A 91 -7.853 -3.184 -5.350 1.00 0.00 C ATOM 1531 CG PRO A 91 -8.525 -3.867 -4.159 1.00 0.00 C ATOM 1532 CD PRO A 91 -8.775 -5.305 -4.593 1.00 0.00 C ATOM 0 HA PRO A 91 -7.856 -4.096 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -6.985 -2.609 -5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.537 -2.486 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -7.887 -3.830 -3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.459 -3.369 -3.898 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.525 -5.999 -3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.827 -5.459 -4.832 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.422 -3.804 -7.594 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.994 -3.751 -7.844 1.00 0.00 C ATOM 1542 C GLU A 92 -3.346 -2.797 -6.847 1.00 0.00 C ATOM 1543 O GLU A 92 -3.946 -1.792 -6.476 1.00 0.00 O ATOM 1544 CB GLU A 92 -3.736 -3.300 -9.282 1.00 0.00 C ATOM 1545 CG GLU A 92 -2.491 -3.969 -9.876 1.00 0.00 C ATOM 1546 CD GLU A 92 -2.619 -5.486 -10.076 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -2.341 -6.271 -9.137 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -2.906 -5.938 -11.203 1.00 0.00 O ATOM 0 H GLU A 92 -5.991 -3.366 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.557 -4.741 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.604 -3.536 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.613 -2.217 -9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.269 -3.506 -10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.641 -3.772 -9.223 1.00 0.00 H new ATOM 1555 N ILE A 93 -2.121 -3.112 -6.440 1.00 0.00 N ATOM 1556 CA ILE A 93 -1.421 -2.488 -5.332 1.00 0.00 C ATOM 1557 C ILE A 93 -0.376 -1.538 -5.938 1.00 0.00 C ATOM 1558 O ILE A 93 0.567 -1.970 -6.616 1.00 0.00 O ATOM 1559 CB ILE A 93 -0.938 -3.655 -4.419 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -2.118 -4.246 -3.604 1.00 0.00 C ATOM 1561 CG2 ILE A 93 0.255 -3.414 -3.492 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -2.666 -3.342 -2.481 1.00 0.00 C ATOM 0 H ILE A 93 -1.569 -3.840 -6.894 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.005 -1.844 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.547 -4.361 -5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.932 -4.477 -4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.796 -5.189 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.465 -4.321 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.129 -3.147 -4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.022 -2.602 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.487 -3.849 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.872 -3.131 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.026 -2.407 -2.910 1.00 0.00 H new ATOM 1574 N ARG A 94 -0.591 -0.226 -5.776 1.00 0.00 N ATOM 1575 CA ARG A 94 0.337 0.824 -6.191 1.00 0.00 C ATOM 1576 C ARG A 94 0.837 1.556 -4.958 1.00 0.00 C ATOM 1577 O ARG A 94 0.106 2.313 -4.315 1.00 0.00 O ATOM 1578 CB ARG A 94 -0.305 1.838 -7.135 1.00 0.00 C ATOM 1579 CG ARG A 94 -0.544 1.322 -8.559 1.00 0.00 C ATOM 1580 CD ARG A 94 -0.926 2.553 -9.380 1.00 0.00 C ATOM 1581 NE ARG A 94 -1.160 2.291 -10.803 1.00 0.00 N ATOM 1582 CZ ARG A 94 -1.287 3.257 -11.723 1.00 0.00 C ATOM 1583 NH1 ARG A 94 -1.262 4.545 -11.390 1.00 0.00 N ATOM 1584 NH2 ARG A 94 -1.416 2.909 -12.992 1.00 0.00 N ATOM 0 H ARG A 94 -1.438 0.140 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 94 1.154 0.343 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.259 2.155 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.331 2.722 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.351 0.846 -8.959 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.338 0.576 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.827 2.993 -8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.134 3.296 -9.287 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.230 1.321 -11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.144 4.817 -10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.361 5.260 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.417 1.923 -13.253 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.514 3.627 -13.710 1.00 0.00 H new ATOM 1598 N PHE A 95 2.101 1.315 -4.639 1.00 0.00 N ATOM 1599 CA PHE A 95 2.808 2.031 -3.602 1.00 0.00 C ATOM 1600 C PHE A 95 3.253 3.378 -4.175 1.00 0.00 C ATOM 1601 O PHE A 95 3.811 3.415 -5.275 1.00 0.00 O ATOM 1602 CB PHE A 95 3.985 1.159 -3.145 1.00 0.00 C ATOM 1603 CG PHE A 95 3.547 -0.161 -2.526 1.00 0.00 C ATOM 1604 CD1 PHE A 95 3.114 -0.195 -1.184 1.00 0.00 C ATOM 1605 CD2 PHE A 95 3.581 -1.359 -3.276 1.00 0.00 C ATOM 1606 CE1 PHE A 95 2.767 -1.412 -0.577 1.00 0.00 C ATOM 1607 CE2 PHE A 95 3.276 -2.581 -2.651 1.00 0.00 C ATOM 1608 CZ PHE A 95 2.859 -2.606 -1.308 1.00 0.00 C ATOM 0 H PHE A 95 2.667 0.605 -5.104 1.00 0.00 H new ATOM 0 HA PHE A 95 2.184 2.232 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.632 0.956 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.580 1.714 -2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.049 0.723 -0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.840 -1.336 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.430 -1.429 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.362 -3.504 -3.205 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.609 -3.546 -0.839 1.00 0.00 H new ATOM 1618 N TYR A 96 3.033 4.470 -3.445 1.00 0.00 N ATOM 1619 CA TYR A 96 3.494 5.823 -3.747 1.00 0.00 C ATOM 1620 C TYR A 96 4.160 6.413 -2.497 1.00 0.00 C ATOM 1621 O TYR A 96 3.996 5.886 -1.400 1.00 0.00 O ATOM 1622 CB TYR A 96 2.297 6.684 -4.154 1.00 0.00 C ATOM 1623 CG TYR A 96 1.503 6.214 -5.357 1.00 0.00 C ATOM 1624 CD1 TYR A 96 1.921 6.530 -6.664 1.00 0.00 C ATOM 1625 CD2 TYR A 96 0.292 5.527 -5.155 1.00 0.00 C ATOM 1626 CE1 TYR A 96 1.098 6.211 -7.761 1.00 0.00 C ATOM 1627 CE2 TYR A 96 -0.548 5.244 -6.245 1.00 0.00 C ATOM 1628 CZ TYR A 96 -0.166 5.620 -7.552 1.00 0.00 C ATOM 1629 OH TYR A 96 -1.028 5.495 -8.597 1.00 0.00 O ATOM 0 H TYR A 96 2.498 4.431 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 96 4.214 5.800 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 96 1.619 6.750 -3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.656 7.693 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.872 7.016 -6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.008 5.217 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.435 6.419 -8.766 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.488 4.738 -6.083 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.855 5.067 -8.290 1.00 0.00 H new ATOM 1639 N GLU A 97 4.899 7.513 -2.628 1.00 0.00 N ATOM 1640 CA GLU A 97 5.875 8.005 -1.636 1.00 0.00 C ATOM 1641 C GLU A 97 5.264 8.772 -0.451 1.00 0.00 C ATOM 1642 O GLU A 97 5.927 9.599 0.187 1.00 0.00 O ATOM 1643 CB GLU A 97 6.876 8.922 -2.351 1.00 0.00 C ATOM 1644 CG GLU A 97 7.594 8.341 -3.575 1.00 0.00 C ATOM 1645 CD GLU A 97 7.924 9.501 -4.505 1.00 0.00 C ATOM 1646 OE1 GLU A 97 7.034 9.900 -5.286 1.00 0.00 O ATOM 1647 OE2 GLU A 97 9.018 10.096 -4.403 1.00 0.00 O ATOM 0 H GLU A 97 4.839 8.112 -3.452 1.00 0.00 H new ATOM 0 HA GLU A 97 6.346 7.120 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.348 9.823 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.632 9.229 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.503 7.820 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.961 7.612 -4.081 1.00 0.00 H new ATOM 1654 N ASP A 98 3.996 8.505 -0.151 1.00 0.00 N ATOM 1655 CA ASP A 98 3.159 9.275 0.779 1.00 0.00 C ATOM 1656 C ASP A 98 3.153 10.749 0.375 1.00 0.00 C ATOM 1657 O ASP A 98 3.690 11.627 1.054 1.00 0.00 O ATOM 1658 CB ASP A 98 3.580 8.982 2.228 1.00 0.00 C ATOM 1659 CG ASP A 98 3.052 9.918 3.316 1.00 0.00 C ATOM 1660 OD1 ASP A 98 1.832 9.941 3.582 1.00 0.00 O ATOM 1661 OD2 ASP A 98 3.909 10.501 4.029 1.00 0.00 O ATOM 0 H ASP A 98 3.499 7.716 -0.563 1.00 0.00 H new ATOM 0 HA ASP A 98 2.116 8.965 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.263 7.968 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.669 8.995 2.272 1.00 0.00 H new ATOM 1666 N LYS A 99 2.584 10.973 -0.814 1.00 0.00 N ATOM 1667 CA LYS A 99 2.455 12.267 -1.483 1.00 0.00 C ATOM 1668 C LYS A 99 1.146 12.337 -2.264 1.00 0.00 C ATOM 1669 O LYS A 99 0.450 13.347 -2.231 1.00 0.00 O ATOM 1670 CB LYS A 99 3.636 12.514 -2.439 1.00 0.00 C ATOM 1671 CG LYS A 99 5.004 12.477 -1.740 1.00 0.00 C ATOM 1672 CD LYS A 99 6.146 12.844 -2.687 1.00 0.00 C ATOM 1673 CE LYS A 99 6.319 14.361 -2.770 1.00 0.00 C ATOM 1674 NZ LYS A 99 7.036 14.724 -4.005 1.00 0.00 N ATOM 0 H LYS A 99 2.180 10.214 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 99 2.458 13.040 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.619 11.762 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.508 13.484 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.998 13.167 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.176 11.480 -1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.073 12.387 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.944 12.442 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.344 14.847 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.871 14.720 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.148 15.757 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.974 14.274 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.493 14.398 -4.830 1.00 0.00 H new