USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 57 HIS : no HD1:sc= -0.915 K(o=-0.84,f=-0.3) USER MOD Set 1.2: A 59 TYR OH : rot 136:sc= 0.0762 USER MOD Set 2.1: A 28 CYS SG : rot 80:sc= -0.7! USER MOD Set 2.2: A 31 CYS SG : rot -52:sc= -0.119 USER MOD Set 2.3: A 60 HIS : no HE2:sc= -0.0602 K(o=-2.8,f=-3.6) USER MOD Set 2.4: A 63 CYS SG : rot -140:sc= -1.89 USER MOD Set 2.5: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 69 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=-0.39) USER MOD Single : A 20 TYR OH : rot -53:sc= 0.511 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= 0.52 (180deg=-0.0943) USER MOD Single : A 32 SER OG : rot -57:sc= 0.108 USER MOD Single : A 34 SER OG : rot 13:sc= 0.338! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -102:sc= 1.02 USER MOD Single : A 42 MET CE :methyl 147:sc= -0.318 (180deg=-2.63!) USER MOD Single : A 45 MET CE :methyl 165:sc= -5.69! (180deg=-6.61!) USER MOD Single : A 47 GLN : amide:sc= -0.255 K(o=-0.25,f=-3.4) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 73 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.3) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 90 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.5) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -148:sc= -0.0805 (180deg=-1.27!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 82:sc= 0.444 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.432 10.596 -2.328 1.00 0.00 N ATOM 165 CA LEU A 15 0.982 10.668 -2.189 1.00 0.00 C ATOM 166 C LEU A 15 0.411 9.326 -1.742 1.00 0.00 C ATOM 167 O LEU A 15 -0.416 9.264 -0.832 1.00 0.00 O ATOM 168 CB LEU A 15 0.343 11.091 -3.513 1.00 0.00 C ATOM 169 CG LEU A 15 0.164 12.595 -3.721 1.00 0.00 C ATOM 170 CD1 LEU A 15 -0.285 12.887 -5.145 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.834 13.158 -2.719 1.00 0.00 C ATOM 0 HA LEU A 15 0.751 11.413 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.953 10.702 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.634 10.615 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 15 1.126 13.082 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.407 13.962 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.465 12.520 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.235 12.388 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.948 14.230 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.798 12.666 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.471 12.982 -1.706 1.00 0.00 H new ATOM 183 N TYR A 16 0.859 8.254 -2.386 1.00 0.00 N ATOM 184 CA TYR A 16 0.393 6.913 -2.055 1.00 0.00 C ATOM 185 C TYR A 16 1.493 6.107 -1.370 1.00 0.00 C ATOM 186 O TYR A 16 2.676 6.425 -1.490 1.00 0.00 O ATOM 187 CB TYR A 16 -0.076 6.187 -3.317 1.00 0.00 C ATOM 188 CG TYR A 16 -1.125 6.946 -4.098 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.429 7.050 -3.629 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.812 7.561 -5.304 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.390 7.742 -4.339 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.766 8.256 -6.020 1.00 0.00 C ATOM 193 CZ TYR A 16 -3.054 8.344 -5.534 1.00 0.00 C ATOM 194 OH TYR A 16 -4.009 9.035 -6.244 1.00 0.00 O ATOM 0 H TYR A 16 1.545 8.288 -3.140 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.446 7.008 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.784 6.005 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.477 5.213 -3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.695 6.581 -2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.195 7.494 -5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.399 7.812 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.505 8.728 -6.956 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.609 9.399 -7.061 1.00 0.00 H new ATOM 204 N ARG A 17 1.093 5.062 -0.653 1.00 0.00 N ATOM 205 CA ARG A 17 2.043 4.210 0.052 1.00 0.00 C ATOM 206 C ARG A 17 1.431 2.845 0.352 1.00 0.00 C ATOM 207 O ARG A 17 0.487 2.735 1.134 1.00 0.00 O ATOM 208 CB ARG A 17 2.491 4.878 1.353 1.00 0.00 C ATOM 209 CG ARG A 17 3.574 4.108 2.091 1.00 0.00 C ATOM 210 CD ARG A 17 3.616 4.479 3.565 1.00 0.00 C ATOM 211 NE ARG A 17 4.028 5.865 3.769 1.00 0.00 N ATOM 212 CZ ARG A 17 5.297 6.257 3.807 1.00 0.00 C ATOM 213 NH1 ARG A 17 6.272 5.372 3.654 1.00 0.00 N ATOM 214 NH2 ARG A 17 5.592 7.536 3.996 1.00 0.00 N ATOM 0 H ARG A 17 0.117 4.785 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 17 2.911 4.066 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.857 5.880 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.628 4.993 2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.394 3.038 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.543 4.313 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.631 4.325 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.306 3.815 4.086 1.00 0.00 H new ATOM 0 HE ARG A 17 3.302 6.571 3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.049 4.388 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.245 5.675 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.844 8.220 4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.567 7.836 4.025 1.00 0.00 H new ATOM 228 N VAL A 18 1.975 1.808 -0.276 1.00 0.00 N ATOM 229 CA VAL A 18 1.484 0.450 -0.077 1.00 0.00 C ATOM 230 C VAL A 18 2.484 -0.386 0.714 1.00 0.00 C ATOM 231 O VAL A 18 3.685 -0.350 0.447 1.00 0.00 O ATOM 232 CB VAL A 18 1.197 -0.247 -1.420 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.472 -0.368 -2.241 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.571 -1.614 -1.189 1.00 0.00 C ATOM 0 H VAL A 18 2.756 1.882 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 18 0.555 0.530 0.487 1.00 0.00 H new ATOM 0 HB VAL A 18 0.487 0.362 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.250 -0.863 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.874 0.626 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.206 -0.954 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.375 -2.091 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.254 -2.234 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.366 -1.498 -0.644 1.00 0.00 H new ATOM 244 N GLU A 19 1.980 -1.139 1.687 1.00 0.00 N ATOM 245 CA GLU A 19 2.830 -1.984 2.517 1.00 0.00 C ATOM 246 C GLU A 19 2.006 -3.053 3.229 1.00 0.00 C ATOM 247 O GLU A 19 0.813 -2.872 3.473 1.00 0.00 O ATOM 248 CB GLU A 19 3.583 -1.136 3.544 1.00 0.00 C ATOM 249 CG GLU A 19 2.701 -0.613 4.666 1.00 0.00 C ATOM 250 CD GLU A 19 3.401 0.424 5.523 1.00 0.00 C ATOM 251 OE1 GLU A 19 3.414 1.609 5.129 1.00 0.00 O ATOM 252 OE2 GLU A 19 3.934 0.050 6.588 1.00 0.00 O ATOM 0 H GLU A 19 0.988 -1.181 1.919 1.00 0.00 H new ATOM 0 HA GLU A 19 3.551 -2.479 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.388 -1.731 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.048 -0.292 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.798 -0.177 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.387 -1.446 5.295 1.00 0.00 H new ATOM 259 N TYR A 20 2.651 -4.166 3.560 1.00 0.00 N ATOM 260 CA TYR A 20 1.979 -5.265 4.241 1.00 0.00 C ATOM 261 C TYR A 20 1.465 -4.825 5.609 1.00 0.00 C ATOM 262 O TYR A 20 2.246 -4.500 6.503 1.00 0.00 O ATOM 263 CB TYR A 20 2.929 -6.453 4.399 1.00 0.00 C ATOM 264 CG TYR A 20 3.607 -6.861 3.111 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.865 -7.123 1.965 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.989 -6.987 3.039 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.479 -7.497 0.786 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.612 -7.359 1.863 1.00 0.00 C ATOM 269 CZ TYR A 20 4.853 -7.613 0.740 1.00 0.00 C ATOM 270 OH TYR A 20 5.470 -7.985 -0.433 1.00 0.00 O ATOM 0 H TYR A 20 3.639 -4.331 3.367 1.00 0.00 H new ATOM 0 HA TYR A 20 1.127 -5.569 3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.691 -6.203 5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.372 -7.303 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.789 -7.032 1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.586 -6.791 3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.887 -7.698 -0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.687 -7.450 1.824 1.00 0.00 H new ATOM 0 HH TYR A 20 5.071 -8.817 -0.763 1.00 0.00 H new ATOM 280 N ALA A 21 0.145 -4.819 5.764 1.00 0.00 N ATOM 281 CA ALA A 21 -0.475 -4.423 7.022 1.00 0.00 C ATOM 282 C ALA A 21 0.289 -4.991 8.213 1.00 0.00 C ATOM 283 O ALA A 21 0.567 -6.189 8.272 1.00 0.00 O ATOM 284 CB ALA A 21 -1.927 -4.874 7.061 1.00 0.00 C ATOM 0 H ALA A 21 -0.516 -5.084 5.033 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.442 -3.335 7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.377 -4.571 8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.473 -4.416 6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.974 -5.959 6.968 1.00 0.00 H new ATOM 290 N LYS A 22 0.627 -4.124 9.162 1.00 0.00 N ATOM 291 CA LYS A 22 1.359 -4.538 10.353 1.00 0.00 C ATOM 292 C LYS A 22 0.424 -5.189 11.367 1.00 0.00 C ATOM 293 O LYS A 22 0.754 -6.217 11.959 1.00 0.00 O ATOM 294 CB LYS A 22 2.062 -3.337 10.989 1.00 0.00 C ATOM 295 CG LYS A 22 3.437 -3.058 10.408 1.00 0.00 C ATOM 296 CD LYS A 22 4.474 -4.034 10.938 1.00 0.00 C ATOM 297 CE LYS A 22 5.769 -3.957 10.144 1.00 0.00 C ATOM 298 NZ LYS A 22 6.576 -2.761 10.515 1.00 0.00 N ATOM 0 H LYS A 22 0.405 -3.129 9.129 1.00 0.00 H new ATOM 0 HA LYS A 22 2.108 -5.271 10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.437 -2.453 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.158 -3.509 12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.394 -3.126 9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.737 -2.039 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.676 -3.818 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.078 -5.048 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.356 -4.859 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.541 -3.925 9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.450 -2.744 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.026 -1.899 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.816 -2.804 11.526 1.00 0.00 H new ATOM 312 N SER A 23 -0.744 -4.585 11.561 1.00 0.00 N ATOM 313 CA SER A 23 -1.726 -5.105 12.505 1.00 0.00 C ATOM 314 C SER A 23 -3.138 -4.987 11.941 1.00 0.00 C ATOM 315 O SER A 23 -3.399 -4.173 11.057 1.00 0.00 O ATOM 316 CB SER A 23 -1.632 -4.356 13.836 1.00 0.00 C ATOM 317 OG SER A 23 -2.297 -5.063 14.868 1.00 0.00 O ATOM 0 H SER A 23 -1.033 -3.735 11.077 1.00 0.00 H new ATOM 0 HA SER A 23 -1.508 -6.160 12.673 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.585 -4.215 14.104 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.070 -3.364 13.730 1.00 0.00 H new ATOM 0 HG SER A 23 -2.221 -4.564 15.708 1.00 0.00 H new ATOM 323 N GLY A 24 -4.047 -5.808 12.459 1.00 0.00 N ATOM 324 CA GLY A 24 -5.421 -5.781 11.995 1.00 0.00 C ATOM 325 C GLY A 24 -6.263 -4.761 12.735 1.00 0.00 C ATOM 326 O GLY A 24 -7.390 -5.050 13.137 1.00 0.00 O ATOM 0 H GLY A 24 -3.856 -6.491 13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.437 -5.556 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.862 -6.770 12.118 1.00 0.00 H new ATOM 330 N ARG A 25 -5.714 -3.564 12.918 1.00 0.00 N ATOM 331 CA ARG A 25 -6.421 -2.498 13.617 1.00 0.00 C ATOM 332 C ARG A 25 -7.008 -1.494 12.628 1.00 0.00 C ATOM 333 O ARG A 25 -8.163 -1.089 12.752 1.00 0.00 O ATOM 334 CB ARG A 25 -5.479 -1.783 14.587 1.00 0.00 C ATOM 335 CG ARG A 25 -4.276 -1.147 13.911 1.00 0.00 C ATOM 336 CD ARG A 25 -3.210 -0.756 14.922 1.00 0.00 C ATOM 337 NE ARG A 25 -3.434 0.581 15.465 1.00 0.00 N ATOM 338 CZ ARG A 25 -2.454 1.387 15.860 1.00 0.00 C ATOM 339 NH1 ARG A 25 -1.191 0.993 15.774 1.00 0.00 N ATOM 340 NH2 ARG A 25 -2.738 2.590 16.343 1.00 0.00 N ATOM 0 H ARG A 25 -4.782 -3.309 12.592 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.239 -2.948 14.180 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.036 -1.012 15.119 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.130 -2.496 15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.854 -1.844 13.187 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.594 -0.264 13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.200 -1.481 15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.229 -0.795 14.448 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.395 0.914 15.545 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.969 0.069 15.404 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.441 1.614 16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.709 2.896 16.411 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.986 3.208 16.646 1.00 0.00 H new ATOM 354 N ALA A 26 -6.203 -1.098 11.648 1.00 0.00 N ATOM 355 CA ALA A 26 -6.642 -0.144 10.638 1.00 0.00 C ATOM 356 C ALA A 26 -7.925 -0.613 9.960 1.00 0.00 C ATOM 357 O ALA A 26 -8.132 -1.810 9.763 1.00 0.00 O ATOM 358 CB ALA A 26 -5.546 0.073 9.605 1.00 0.00 C ATOM 0 H ALA A 26 -5.243 -1.423 11.532 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.850 0.803 11.135 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.888 0.788 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.654 0.461 10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.310 -0.874 9.120 1.00 0.00 H new ATOM 364 N SER A 27 -8.783 0.338 9.606 1.00 0.00 N ATOM 365 CA SER A 27 -10.049 0.021 8.954 1.00 0.00 C ATOM 366 C SER A 27 -10.055 0.516 7.511 1.00 0.00 C ATOM 367 O SER A 27 -9.118 1.178 7.065 1.00 0.00 O ATOM 368 CB SER A 27 -11.214 0.646 9.724 1.00 0.00 C ATOM 369 OG SER A 27 -11.155 0.308 11.100 1.00 0.00 O ATOM 0 H SER A 27 -8.625 1.334 9.759 1.00 0.00 H new ATOM 0 HA SER A 27 -10.166 -1.063 8.949 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.189 1.730 9.611 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.159 0.303 9.302 1.00 0.00 H new ATOM 0 HG SER A 27 -11.909 0.721 11.571 1.00 0.00 H new ATOM 375 N CYS A 28 -11.119 0.189 6.785 1.00 0.00 N ATOM 376 CA CYS A 28 -11.250 0.598 5.392 1.00 0.00 C ATOM 377 C CYS A 28 -12.288 1.708 5.246 1.00 0.00 C ATOM 378 O CYS A 28 -13.312 1.709 5.929 1.00 0.00 O ATOM 379 CB CYS A 28 -11.641 -0.598 4.522 1.00 0.00 C ATOM 380 SG CYS A 28 -11.967 -0.175 2.780 1.00 0.00 S ATOM 0 H CYS A 28 -11.903 -0.359 7.139 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.285 0.981 5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.843 -1.339 4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.531 -1.065 4.944 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.839 -0.056 2.144 1.00 0.00 H new ATOM 385 N LYS A 29 -12.015 2.652 4.351 1.00 0.00 N ATOM 386 CA LYS A 29 -12.923 3.767 4.113 1.00 0.00 C ATOM 387 C LYS A 29 -13.690 3.575 2.809 1.00 0.00 C ATOM 388 O LYS A 29 -13.991 4.539 2.105 1.00 0.00 O ATOM 389 CB LYS A 29 -12.146 5.084 4.071 1.00 0.00 C ATOM 390 CG LYS A 29 -11.461 5.429 5.382 1.00 0.00 C ATOM 391 CD LYS A 29 -12.463 5.866 6.437 1.00 0.00 C ATOM 392 CE LYS A 29 -11.789 6.645 7.556 1.00 0.00 C ATOM 393 NZ LYS A 29 -12.757 7.040 8.617 1.00 0.00 N ATOM 0 H LYS A 29 -11.171 2.666 3.778 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.640 3.801 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.396 5.028 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.829 5.891 3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.906 4.563 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.736 6.225 5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.233 6.483 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.962 4.990 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.997 6.039 7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.317 7.537 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.259 7.569 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.499 7.640 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.189 6.188 9.028 1.00 0.00 H new ATOM 407 N LYS A 30 -14.005 2.323 2.491 1.00 0.00 N ATOM 408 CA LYS A 30 -14.739 2.004 1.273 1.00 0.00 C ATOM 409 C LYS A 30 -15.850 0.998 1.555 1.00 0.00 C ATOM 410 O LYS A 30 -17.015 1.239 1.237 1.00 0.00 O ATOM 411 CB LYS A 30 -13.788 1.446 0.211 1.00 0.00 C ATOM 412 CG LYS A 30 -14.500 0.766 -0.945 1.00 0.00 C ATOM 413 CD LYS A 30 -14.943 1.770 -1.996 1.00 0.00 C ATOM 414 CE LYS A 30 -16.257 1.358 -2.642 1.00 0.00 C ATOM 415 NZ LYS A 30 -17.398 1.456 -1.690 1.00 0.00 N ATOM 0 H LYS A 30 -13.763 1.513 3.061 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.191 2.923 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.175 2.258 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.111 0.732 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.836 0.031 -1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.368 0.223 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.054 2.753 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.173 1.861 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.451 1.992 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.176 0.335 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.988 0.603 -1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.034 1.540 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.970 2.294 -1.919 1.00 0.00 H new ATOM 429 N CYS A 31 -15.483 -0.130 2.155 1.00 0.00 N ATOM 430 CA CYS A 31 -16.448 -1.172 2.481 1.00 0.00 C ATOM 431 C CYS A 31 -16.855 -1.096 3.950 1.00 0.00 C ATOM 432 O CYS A 31 -17.874 -1.658 4.352 1.00 0.00 O ATOM 433 CB CYS A 31 -15.862 -2.552 2.174 1.00 0.00 C ATOM 434 SG CYS A 31 -14.376 -2.962 3.144 1.00 0.00 S ATOM 0 H CYS A 31 -14.523 -0.345 2.425 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.335 -1.016 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.625 -3.308 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.616 -2.602 1.113 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.508 -2.001 3.035 1.00 0.00 H new ATOM 439 N SER A 32 -16.053 -0.396 4.745 1.00 0.00 N ATOM 440 CA SER A 32 -16.328 -0.248 6.170 1.00 0.00 C ATOM 441 C SER A 32 -16.064 -1.555 6.912 1.00 0.00 C ATOM 442 O SER A 32 -16.875 -1.992 7.727 1.00 0.00 O ATOM 443 CB SER A 32 -17.776 0.192 6.388 1.00 0.00 C ATOM 444 OG SER A 32 -17.971 0.666 7.709 1.00 0.00 O ATOM 0 H SER A 32 -15.207 0.078 4.427 1.00 0.00 H new ATOM 0 HA SER A 32 -15.660 0.516 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.032 0.976 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.447 -0.645 6.196 1.00 0.00 H new ATOM 0 HG SER A 32 -17.719 -0.033 8.348 1.00 0.00 H new ATOM 450 N GLU A 33 -14.923 -2.173 6.623 1.00 0.00 N ATOM 451 CA GLU A 33 -14.552 -3.430 7.262 1.00 0.00 C ATOM 452 C GLU A 33 -13.181 -3.321 7.922 1.00 0.00 C ATOM 453 O GLU A 33 -12.492 -2.311 7.783 1.00 0.00 O ATOM 454 CB GLU A 33 -14.549 -4.567 6.238 1.00 0.00 C ATOM 455 CG GLU A 33 -15.922 -4.874 5.665 1.00 0.00 C ATOM 456 CD GLU A 33 -16.696 -5.870 6.507 1.00 0.00 C ATOM 457 OE1 GLU A 33 -17.194 -5.476 7.583 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.804 -7.042 6.092 1.00 0.00 O ATOM 0 H GLU A 33 -14.240 -1.824 5.951 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.291 -3.648 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.874 -4.308 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.151 -5.467 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.494 -3.949 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.810 -5.267 4.655 1.00 0.00 H new ATOM 465 N SER A 34 -12.793 -4.368 8.642 1.00 0.00 N ATOM 466 CA SER A 34 -11.506 -4.390 9.329 1.00 0.00 C ATOM 467 C SER A 34 -10.424 -4.990 8.436 1.00 0.00 C ATOM 468 O SER A 34 -10.581 -6.091 7.907 1.00 0.00 O ATOM 469 CB SER A 34 -11.611 -5.188 10.629 1.00 0.00 C ATOM 470 OG SER A 34 -11.693 -6.579 10.369 1.00 0.00 O ATOM 0 H SER A 34 -13.351 -5.213 8.765 1.00 0.00 H new ATOM 0 HA SER A 34 -11.230 -3.362 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.744 -4.983 11.256 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.491 -4.867 11.186 1.00 0.00 H new ATOM 0 HG SER A 34 -11.462 -6.751 9.432 1.00 0.00 H new ATOM 476 N ILE A 35 -9.327 -4.258 8.273 1.00 0.00 N ATOM 477 CA ILE A 35 -8.219 -4.717 7.445 1.00 0.00 C ATOM 478 C ILE A 35 -7.456 -5.848 8.126 1.00 0.00 C ATOM 479 O ILE A 35 -7.033 -5.740 9.278 1.00 0.00 O ATOM 480 CB ILE A 35 -7.240 -3.571 7.128 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.962 -2.446 6.384 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.067 -4.088 6.309 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.127 -1.194 6.226 1.00 0.00 C ATOM 0 H ILE A 35 -9.182 -3.345 8.703 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.652 -5.082 6.514 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.855 -3.172 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.256 -2.804 5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.878 -2.197 6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.384 -3.266 6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.541 -4.858 6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.434 -4.510 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.702 -0.439 5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.854 -0.812 7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.223 -1.428 5.664 1.00 0.00 H new ATOM 495 N PRO A 36 -7.274 -6.961 7.400 1.00 0.00 N ATOM 496 CA PRO A 36 -6.560 -8.134 7.913 1.00 0.00 C ATOM 497 C PRO A 36 -5.065 -7.877 8.074 1.00 0.00 C ATOM 498 O PRO A 36 -4.479 -7.079 7.342 1.00 0.00 O ATOM 499 CB PRO A 36 -6.806 -9.197 6.840 1.00 0.00 C ATOM 500 CG PRO A 36 -7.060 -8.424 5.592 1.00 0.00 C ATOM 501 CD PRO A 36 -7.751 -7.160 6.021 1.00 0.00 C ATOM 0 HA PRO A 36 -6.909 -8.421 8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.944 -9.855 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.658 -9.828 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.127 -8.202 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.681 -8.993 4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.486 -6.320 5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.836 -7.262 5.982 1.00 0.00 H new ATOM 509 N LYS A 37 -4.453 -8.558 9.037 1.00 0.00 N ATOM 510 CA LYS A 37 -3.026 -8.406 9.294 1.00 0.00 C ATOM 511 C LYS A 37 -2.202 -9.108 8.221 1.00 0.00 C ATOM 512 O LYS A 37 -2.653 -10.081 7.616 1.00 0.00 O ATOM 513 CB LYS A 37 -2.673 -8.967 10.673 1.00 0.00 C ATOM 514 CG LYS A 37 -1.180 -9.005 10.951 1.00 0.00 C ATOM 515 CD LYS A 37 -0.892 -9.164 12.434 1.00 0.00 C ATOM 516 CE LYS A 37 0.599 -9.086 12.724 1.00 0.00 C ATOM 517 NZ LYS A 37 1.257 -10.417 12.609 1.00 0.00 N ATOM 0 H LYS A 37 -4.924 -9.221 9.653 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.789 -7.342 9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.161 -8.363 11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.076 -9.976 10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.728 -9.830 10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.718 -8.088 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.413 -8.387 12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.282 -10.121 12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.068 -8.388 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.753 -8.690 13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.272 -10.321 12.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.827 -11.077 13.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.132 -10.784 11.644 1.00 0.00 H new ATOM 531 N ASP A 38 -0.992 -8.611 7.990 1.00 0.00 N ATOM 532 CA ASP A 38 -0.103 -9.193 6.991 1.00 0.00 C ATOM 533 C ASP A 38 -0.785 -9.257 5.628 1.00 0.00 C ATOM 534 O ASP A 38 -0.684 -10.257 4.919 1.00 0.00 O ATOM 535 CB ASP A 38 0.335 -10.593 7.422 1.00 0.00 C ATOM 536 CG ASP A 38 1.696 -10.970 6.869 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.678 -10.264 7.179 1.00 0.00 O ATOM 538 OD2 ASP A 38 1.778 -11.970 6.125 1.00 0.00 O ATOM 0 H ASP A 38 -0.604 -7.806 8.481 1.00 0.00 H new ATOM 0 HA ASP A 38 0.777 -8.555 6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.362 -10.643 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.404 -11.321 7.087 1.00 0.00 H new ATOM 543 N SER A 39 -1.481 -8.182 5.269 1.00 0.00 N ATOM 544 CA SER A 39 -2.184 -8.118 3.994 1.00 0.00 C ATOM 545 C SER A 39 -1.772 -6.877 3.208 1.00 0.00 C ATOM 546 O SER A 39 -1.511 -5.821 3.784 1.00 0.00 O ATOM 547 CB SER A 39 -3.697 -8.112 4.221 1.00 0.00 C ATOM 548 OG SER A 39 -4.152 -6.822 4.591 1.00 0.00 O ATOM 0 H SER A 39 -1.572 -7.344 5.844 1.00 0.00 H new ATOM 0 HA SER A 39 -1.914 -9.001 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.206 -8.434 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.954 -8.829 5.001 1.00 0.00 H new ATOM 0 HG SER A 39 -4.305 -6.794 5.559 1.00 0.00 H new ATOM 554 N LEU A 40 -1.714 -7.013 1.887 1.00 0.00 N ATOM 555 CA LEU A 40 -1.333 -5.904 1.020 1.00 0.00 C ATOM 556 C LEU A 40 -2.421 -4.835 0.993 1.00 0.00 C ATOM 557 O LEU A 40 -3.544 -5.089 0.556 1.00 0.00 O ATOM 558 CB LEU A 40 -1.064 -6.409 -0.399 1.00 0.00 C ATOM 559 CG LEU A 40 -0.582 -5.363 -1.404 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.864 -4.981 -1.125 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.733 -5.880 -2.827 1.00 0.00 C ATOM 0 H LEU A 40 -1.926 -7.880 1.394 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.422 -5.459 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.319 -7.203 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.980 -6.858 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.200 -4.472 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.190 -4.235 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.944 -4.568 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.496 -5.866 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.385 -5.122 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.141 -6.787 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.782 -6.102 -3.024 1.00 0.00 H new ATOM 573 N ARG A 41 -2.080 -3.639 1.462 1.00 0.00 N ATOM 574 CA ARG A 41 -3.027 -2.531 1.491 1.00 0.00 C ATOM 575 C ARG A 41 -2.394 -1.260 0.933 1.00 0.00 C ATOM 576 O ARG A 41 -1.174 -1.168 0.804 1.00 0.00 O ATOM 577 CB ARG A 41 -3.515 -2.287 2.920 1.00 0.00 C ATOM 578 CG ARG A 41 -2.427 -1.790 3.858 1.00 0.00 C ATOM 579 CD ARG A 41 -2.973 -1.520 5.251 1.00 0.00 C ATOM 580 NE ARG A 41 -2.036 -0.753 6.067 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.135 -0.638 7.387 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.123 -1.238 8.036 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.243 0.078 8.060 1.00 0.00 N ATOM 0 H ARG A 41 -1.155 -3.413 1.827 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.878 -2.797 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.326 -1.558 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.930 -3.214 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.629 -2.530 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.987 -0.878 3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.914 -0.976 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.192 -2.467 5.744 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.264 -0.280 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.810 -1.790 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.196 -1.148 9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.481 0.540 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.319 0.166 9.073 1.00 0.00 H new ATOM 597 N MET A 42 -3.233 -0.283 0.604 1.00 0.00 N ATOM 598 CA MET A 42 -2.755 0.983 0.061 1.00 0.00 C ATOM 599 C MET A 42 -3.126 2.144 0.979 1.00 0.00 C ATOM 600 O MET A 42 -4.069 2.049 1.764 1.00 0.00 O ATOM 601 CB MET A 42 -3.336 1.216 -1.335 1.00 0.00 C ATOM 602 CG MET A 42 -2.955 0.140 -2.339 1.00 0.00 C ATOM 603 SD MET A 42 -3.450 0.555 -4.022 1.00 0.00 S ATOM 604 CE MET A 42 -1.911 1.194 -4.680 1.00 0.00 C ATOM 0 H MET A 42 -4.246 -0.344 0.704 1.00 0.00 H new ATOM 0 HA MET A 42 -1.668 0.932 -0.009 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.422 1.267 -1.264 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.995 2.183 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.876 -0.014 -2.309 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.420 -0.803 -2.050 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.840 0.952 -5.740 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.882 2.276 -4.552 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.073 0.743 -4.148 1.00 0.00 H new ATOM 614 N ALA A 43 -2.378 3.237 0.876 1.00 0.00 N ATOM 615 CA ALA A 43 -2.630 4.416 1.696 1.00 0.00 C ATOM 616 C ALA A 43 -2.734 5.671 0.836 1.00 0.00 C ATOM 617 O ALA A 43 -1.863 5.941 0.008 1.00 0.00 O ATOM 618 CB ALA A 43 -1.534 4.577 2.739 1.00 0.00 C ATOM 0 H ALA A 43 -1.592 3.331 0.233 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.584 4.277 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.735 5.461 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.510 3.696 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.571 4.689 2.241 1.00 0.00 H new ATOM 624 N ILE A 44 -3.803 6.433 1.036 1.00 0.00 N ATOM 625 CA ILE A 44 -4.020 7.659 0.279 1.00 0.00 C ATOM 626 C ILE A 44 -3.960 8.883 1.186 1.00 0.00 C ATOM 627 O ILE A 44 -4.576 8.910 2.251 1.00 0.00 O ATOM 628 CB ILE A 44 -5.377 7.640 -0.448 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.466 6.425 -1.375 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.576 8.928 -1.233 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.881 6.078 -1.783 1.00 0.00 C ATOM 0 H ILE A 44 -4.533 6.223 1.717 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.222 7.718 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.170 7.565 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.875 6.617 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.019 5.565 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.540 8.899 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.551 9.778 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.780 9.031 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.867 5.208 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.471 5.853 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.325 6.923 -2.310 1.00 0.00 H new ATOM 643 N MET A 45 -3.214 9.896 0.756 1.00 0.00 N ATOM 644 CA MET A 45 -3.076 11.125 1.529 1.00 0.00 C ATOM 645 C MET A 45 -4.115 12.156 1.100 1.00 0.00 C ATOM 646 O MET A 45 -3.935 12.856 0.103 1.00 0.00 O ATOM 647 CB MET A 45 -1.669 11.702 1.362 1.00 0.00 C ATOM 648 CG MET A 45 -0.644 11.082 2.298 1.00 0.00 C ATOM 649 SD MET A 45 -0.466 12.000 3.839 1.00 0.00 S ATOM 650 CE MET A 45 -2.037 11.651 4.624 1.00 0.00 C ATOM 0 H MET A 45 -2.696 9.890 -0.123 1.00 0.00 H new ATOM 0 HA MET A 45 -3.240 10.885 2.579 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.344 11.555 0.332 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.703 12.778 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.936 10.056 2.522 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.321 11.035 1.794 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.983 11.917 5.680 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.822 12.234 4.142 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.263 10.589 4.529 1.00 0.00 H new ATOM 660 N VAL A 46 -5.203 12.245 1.858 1.00 0.00 N ATOM 661 CA VAL A 46 -6.271 13.191 1.556 1.00 0.00 C ATOM 662 C VAL A 46 -6.263 14.359 2.536 1.00 0.00 C ATOM 663 O VAL A 46 -5.468 14.388 3.475 1.00 0.00 O ATOM 664 CB VAL A 46 -7.652 12.511 1.597 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.801 11.536 0.439 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.859 11.805 2.928 1.00 0.00 C ATOM 0 H VAL A 46 -5.368 11.673 2.686 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.088 13.564 0.548 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.419 13.279 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.783 11.065 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.699 12.073 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.028 10.771 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.840 11.330 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.087 11.047 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.798 12.531 3.738 1.00 0.00 H new ATOM 676 N GLN A 47 -7.153 15.320 2.311 1.00 0.00 N ATOM 677 CA GLN A 47 -7.248 16.491 3.175 1.00 0.00 C ATOM 678 C GLN A 47 -8.546 16.473 3.975 1.00 0.00 C ATOM 679 O GLN A 47 -9.633 16.631 3.418 1.00 0.00 O ATOM 680 CB GLN A 47 -7.166 17.772 2.343 1.00 0.00 C ATOM 681 CG GLN A 47 -7.264 19.042 3.172 1.00 0.00 C ATOM 682 CD GLN A 47 -6.012 19.307 3.985 1.00 0.00 C ATOM 683 OE1 GLN A 47 -4.944 18.767 3.695 1.00 0.00 O ATOM 684 NE2 GLN A 47 -6.137 20.141 5.011 1.00 0.00 N ATOM 0 H GLN A 47 -7.818 15.311 1.538 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.412 16.465 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.225 17.779 1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.967 17.767 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.450 19.889 2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.120 18.968 3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.041 20.566 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.329 20.356 5.595 1.00 0.00 H new ATOM 693 N SER A 48 -8.425 16.278 5.284 1.00 0.00 N ATOM 694 CA SER A 48 -9.590 16.235 6.161 1.00 0.00 C ATOM 695 C SER A 48 -10.034 17.644 6.544 1.00 0.00 C ATOM 696 O SER A 48 -9.225 18.505 6.889 1.00 0.00 O ATOM 697 CB SER A 48 -9.275 15.427 7.422 1.00 0.00 C ATOM 698 OG SER A 48 -9.517 14.046 7.217 1.00 0.00 O ATOM 0 H SER A 48 -7.533 16.147 5.761 1.00 0.00 H new ATOM 0 HA SER A 48 -10.403 15.751 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.233 15.579 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.885 15.787 8.250 1.00 0.00 H new ATOM 0 HG SER A 48 -9.306 13.552 8.037 1.00 0.00 H new ATOM 774 N LYS A 54 -3.672 16.773 6.317 1.00 0.00 N ATOM 775 CA LYS A 54 -4.049 15.553 5.614 1.00 0.00 C ATOM 776 C LYS A 54 -3.987 14.347 6.545 1.00 0.00 C ATOM 777 O LYS A 54 -3.394 14.411 7.622 1.00 0.00 O ATOM 778 CB LYS A 54 -3.132 15.329 4.410 1.00 0.00 C ATOM 779 CG LYS A 54 -3.467 16.209 3.218 1.00 0.00 C ATOM 780 CD LYS A 54 -3.037 15.564 1.911 1.00 0.00 C ATOM 781 CE LYS A 54 -3.174 16.528 0.742 1.00 0.00 C ATOM 782 NZ LYS A 54 -2.411 16.065 -0.451 1.00 0.00 N ATOM 0 HA LYS A 54 -5.075 15.668 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.101 15.515 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.192 14.284 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.540 16.399 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.974 17.175 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.002 15.232 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.643 14.677 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.227 16.635 0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.818 17.514 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.530 16.749 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.402 15.987 -0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.768 15.135 -0.752 1.00 0.00 H new ATOM 796 N VAL A 55 -4.601 13.246 6.123 1.00 0.00 N ATOM 797 CA VAL A 55 -4.613 12.024 6.918 1.00 0.00 C ATOM 798 C VAL A 55 -4.478 10.791 6.032 1.00 0.00 C ATOM 799 O VAL A 55 -5.068 10.701 4.955 1.00 0.00 O ATOM 800 CB VAL A 55 -5.906 11.907 7.747 1.00 0.00 C ATOM 801 CG1 VAL A 55 -5.976 13.017 8.786 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.126 11.937 6.840 1.00 0.00 C ATOM 0 H VAL A 55 -5.097 13.176 5.234 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.760 12.078 7.594 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.896 10.951 8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.896 12.919 9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.119 12.943 9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.963 13.985 8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.030 11.853 7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.145 12.876 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.079 11.103 6.139 1.00 0.00 H new ATOM 812 N PRO A 56 -3.682 9.815 6.494 1.00 0.00 N ATOM 813 CA PRO A 56 -3.451 8.568 5.760 1.00 0.00 C ATOM 814 C PRO A 56 -4.688 7.677 5.726 1.00 0.00 C ATOM 815 O PRO A 56 -5.137 7.181 6.760 1.00 0.00 O ATOM 816 CB PRO A 56 -2.328 7.893 6.551 1.00 0.00 C ATOM 817 CG PRO A 56 -2.453 8.443 7.930 1.00 0.00 C ATOM 818 CD PRO A 56 -2.947 9.854 7.770 1.00 0.00 C ATOM 0 HA PRO A 56 -3.204 8.751 4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.437 6.808 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.351 8.117 6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.149 7.851 8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.494 8.422 8.447 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.593 10.150 8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.123 10.567 7.738 1.00 0.00 H new ATOM 826 N HIS A 57 -5.235 7.477 4.531 1.00 0.00 N ATOM 827 CA HIS A 57 -6.421 6.644 4.362 1.00 0.00 C ATOM 828 C HIS A 57 -6.048 5.276 3.799 1.00 0.00 C ATOM 829 O HIS A 57 -5.616 5.163 2.652 1.00 0.00 O ATOM 830 CB HIS A 57 -7.426 7.332 3.439 1.00 0.00 C ATOM 831 CG HIS A 57 -8.341 8.280 4.150 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.554 8.686 3.634 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.216 8.903 5.345 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.134 9.518 4.480 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.343 9.666 5.527 1.00 0.00 N ATOM 0 H HIS A 57 -4.876 7.880 3.666 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.878 6.502 5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.883 7.875 2.665 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.024 6.572 2.935 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.384 8.816 6.028 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.092 9.996 4.339 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.538 10.252 6.339 1.00 0.00 H new ATOM 843 N TRP A 58 -6.218 4.240 4.614 1.00 0.00 N ATOM 844 CA TRP A 58 -5.898 2.880 4.197 1.00 0.00 C ATOM 845 C TRP A 58 -7.083 2.237 3.483 1.00 0.00 C ATOM 846 O TRP A 58 -8.214 2.292 3.966 1.00 0.00 O ATOM 847 CB TRP A 58 -5.496 2.035 5.406 1.00 0.00 C ATOM 848 CG TRP A 58 -4.335 2.601 6.166 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.390 3.373 7.292 1.00 0.00 C ATOM 850 CD2 TRP A 58 -2.947 2.440 5.855 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.119 3.702 7.698 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.216 3.141 6.834 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.250 1.771 4.845 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -0.825 3.192 6.831 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -0.869 1.822 4.843 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.168 2.528 5.830 1.00 0.00 C ATOM 0 H TRP A 58 -6.575 4.316 5.566 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.060 2.927 3.501 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.350 1.944 6.077 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.245 1.029 5.070 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.298 3.679 7.790 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.886 4.272 8.511 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.781 1.224 4.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.283 3.736 7.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.320 1.309 4.067 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.911 2.549 5.800 1.00 0.00 H new ATOM 867 N TYR A 59 -6.816 1.628 2.333 1.00 0.00 N ATOM 868 CA TYR A 59 -7.861 0.977 1.552 1.00 0.00 C ATOM 869 C TYR A 59 -7.453 -0.444 1.174 1.00 0.00 C ATOM 870 O TYR A 59 -6.265 -0.757 1.080 1.00 0.00 O ATOM 871 CB TYR A 59 -8.163 1.786 0.290 1.00 0.00 C ATOM 872 CG TYR A 59 -8.892 3.082 0.562 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.272 3.107 0.716 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.199 4.283 0.665 1.00 0.00 C ATOM 875 CE1 TYR A 59 -10.942 4.290 0.964 1.00 0.00 C ATOM 876 CE2 TYR A 59 -8.860 5.470 0.914 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.232 5.468 1.062 1.00 0.00 C ATOM 878 OH TYR A 59 -10.895 6.648 1.310 1.00 0.00 O ATOM 0 H TYR A 59 -5.885 1.572 1.921 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.760 0.926 2.166 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.227 2.006 -0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.762 1.177 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.831 2.186 0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.125 4.288 0.548 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.016 4.292 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.306 6.394 0.992 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.408 7.161 1.988 1.00 0.00 H new ATOM 888 N HIS A 60 -8.446 -1.300 0.958 1.00 0.00 N ATOM 889 CA HIS A 60 -8.192 -2.688 0.588 1.00 0.00 C ATOM 890 C HIS A 60 -7.621 -2.778 -0.824 1.00 0.00 C ATOM 891 O HIS A 60 -8.003 -2.013 -1.709 1.00 0.00 O ATOM 892 CB HIS A 60 -9.480 -3.507 0.683 1.00 0.00 C ATOM 893 CG HIS A 60 -9.816 -3.935 2.078 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.951 -3.517 2.740 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.160 -4.750 2.937 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.977 -4.055 3.947 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.902 -4.808 4.091 1.00 0.00 N ATOM 0 H HIS A 60 -9.434 -1.057 1.033 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.459 -3.096 1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.306 -2.918 0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.386 -4.392 0.053 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.660 -2.891 2.358 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.227 -5.260 2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.747 -3.904 4.689 1.00 0.00 H new ATOM 905 N PHE A 61 -6.703 -3.718 -1.027 1.00 0.00 N ATOM 906 CA PHE A 61 -6.077 -3.907 -2.330 1.00 0.00 C ATOM 907 C PHE A 61 -7.098 -3.742 -3.452 1.00 0.00 C ATOM 908 O PHE A 61 -6.764 -3.290 -4.548 1.00 0.00 O ATOM 909 CB PHE A 61 -5.431 -5.291 -2.413 1.00 0.00 C ATOM 910 CG PHE A 61 -4.589 -5.487 -3.642 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.564 -4.605 -3.943 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.824 -6.553 -4.496 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.787 -4.783 -5.072 1.00 0.00 C ATOM 914 CE2 PHE A 61 -4.050 -6.736 -5.626 1.00 0.00 C ATOM 915 CZ PHE A 61 -3.031 -5.849 -5.915 1.00 0.00 C ATOM 0 H PHE A 61 -6.376 -4.361 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.306 -3.146 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.812 -5.448 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.213 -6.050 -2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.370 -3.769 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.621 -7.248 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.990 -4.089 -5.295 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.241 -7.572 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.426 -5.989 -6.799 1.00 0.00 H new ATOM 925 N SER A 62 -8.343 -4.112 -3.171 1.00 0.00 N ATOM 926 CA SER A 62 -9.413 -4.009 -4.157 1.00 0.00 C ATOM 927 C SER A 62 -10.164 -2.689 -4.007 1.00 0.00 C ATOM 928 O SER A 62 -10.308 -1.931 -4.967 1.00 0.00 O ATOM 929 CB SER A 62 -10.384 -5.182 -4.011 1.00 0.00 C ATOM 930 OG SER A 62 -11.210 -5.305 -5.156 1.00 0.00 O ATOM 0 H SER A 62 -8.636 -4.486 -2.268 1.00 0.00 H new ATOM 0 HA SER A 62 -8.964 -4.040 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.824 -6.105 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.003 -5.038 -3.126 1.00 0.00 H new ATOM 0 HG SER A 62 -11.820 -6.063 -5.039 1.00 0.00 H new ATOM 936 N CYS A 63 -10.642 -2.422 -2.797 1.00 0.00 N ATOM 937 CA CYS A 63 -11.380 -1.196 -2.519 1.00 0.00 C ATOM 938 C CYS A 63 -10.667 0.015 -3.115 1.00 0.00 C ATOM 939 O CYS A 63 -11.282 0.840 -3.791 1.00 0.00 O ATOM 940 CB CYS A 63 -11.550 -1.009 -1.010 1.00 0.00 C ATOM 941 SG CYS A 63 -12.712 -2.184 -0.242 1.00 0.00 S ATOM 0 H CYS A 63 -10.531 -3.039 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.364 -1.281 -2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.577 -1.111 -0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.896 0.006 -0.817 1.00 0.00 H new ATOM 0 HG CYS A 63 -13.427 -1.566 0.651 1.00 0.00 H new ATOM 946 N PHE A 64 -9.367 0.113 -2.860 1.00 0.00 N ATOM 947 CA PHE A 64 -8.570 1.223 -3.370 1.00 0.00 C ATOM 948 C PHE A 64 -8.854 1.462 -4.850 1.00 0.00 C ATOM 949 O PHE A 64 -8.803 2.595 -5.327 1.00 0.00 O ATOM 950 CB PHE A 64 -7.079 0.945 -3.164 1.00 0.00 C ATOM 951 CG PHE A 64 -6.189 2.050 -3.657 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.939 2.205 -5.011 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.604 2.935 -2.766 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.120 3.221 -5.466 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.784 3.953 -3.215 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.543 4.097 -4.567 1.00 0.00 C ATOM 0 H PHE A 64 -8.843 -0.562 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.846 2.120 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.891 0.784 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.816 0.021 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.389 1.524 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.791 2.828 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.931 3.330 -6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.332 4.635 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.905 4.893 -4.921 1.00 0.00 H new ATOM 966 N TRP A 65 -9.154 0.387 -5.569 1.00 0.00 N ATOM 967 CA TRP A 65 -9.446 0.478 -6.995 1.00 0.00 C ATOM 968 C TRP A 65 -10.922 0.784 -7.230 1.00 0.00 C ATOM 969 O TRP A 65 -11.281 1.457 -8.196 1.00 0.00 O ATOM 970 CB TRP A 65 -9.064 -0.824 -7.700 1.00 0.00 C ATOM 971 CG TRP A 65 -7.632 -1.215 -7.491 1.00 0.00 C ATOM 972 CD1 TRP A 65 -7.173 -2.350 -6.886 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.474 -0.470 -7.883 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.799 -2.356 -6.879 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.346 -1.214 -7.486 1.00 0.00 C ATOM 976 CE3 TRP A 65 -6.281 0.752 -8.533 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -4.046 -0.774 -7.717 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.989 1.187 -8.761 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.885 0.426 -8.355 1.00 0.00 C ATOM 0 H TRP A 65 -9.202 -0.558 -5.188 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.854 1.294 -7.410 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.708 -1.626 -7.340 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.252 -0.719 -8.768 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.798 -3.128 -6.474 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -5.211 -3.091 -6.486 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.125 1.345 -8.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -3.194 -1.359 -7.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.828 2.131 -9.261 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.888 0.793 -8.549 1.00 0.00 H new ATOM 990 N LYS A 66 -11.773 0.286 -6.340 1.00 0.00 N ATOM 991 CA LYS A 66 -13.210 0.506 -6.449 1.00 0.00 C ATOM 992 C LYS A 66 -13.526 1.995 -6.553 1.00 0.00 C ATOM 993 O LYS A 66 -14.232 2.428 -7.463 1.00 0.00 O ATOM 994 CB LYS A 66 -13.932 -0.096 -5.241 1.00 0.00 C ATOM 995 CG LYS A 66 -14.155 -1.594 -5.351 1.00 0.00 C ATOM 996 CD LYS A 66 -15.231 -2.070 -4.389 1.00 0.00 C ATOM 997 CE LYS A 66 -15.035 -3.530 -4.012 1.00 0.00 C ATOM 998 NZ LYS A 66 -15.579 -3.831 -2.658 1.00 0.00 N ATOM 0 H LYS A 66 -11.492 -0.273 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.560 0.014 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.353 0.112 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.896 0.399 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.441 -1.846 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.222 -2.118 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.214 -1.455 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.212 -1.940 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.526 -4.165 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.973 -3.773 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.426 -4.836 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.093 -3.244 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.598 -3.624 -2.639 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.997 2.774 -5.614 1.00 0.00 N ATOM 1013 CA VAL A 67 -13.220 4.215 -5.602 1.00 0.00 C ATOM 1014 C VAL A 67 -12.889 4.834 -6.956 1.00 0.00 C ATOM 1015 O VAL A 67 -13.604 5.709 -7.441 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.376 4.905 -4.514 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.928 4.592 -3.132 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.918 4.482 -4.624 1.00 0.00 C ATOM 0 H VAL A 67 -12.411 2.431 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.277 4.370 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.430 5.983 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.319 5.088 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.956 4.949 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.906 3.515 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.336 4.979 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.842 3.402 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.531 4.762 -5.604 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.799 4.372 -7.561 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.392 4.892 -8.853 1.00 0.00 C ATOM 1030 C GLY A 68 -10.049 5.592 -8.800 1.00 0.00 C ATOM 1031 O GLY A 68 -9.867 6.650 -9.404 1.00 0.00 O ATOM 0 H GLY A 68 -11.191 3.647 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.343 4.074 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.148 5.589 -9.215 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.104 5.003 -8.073 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.770 5.579 -7.941 1.00 0.00 C ATOM 1037 C HIS A 69 -6.752 4.781 -8.750 1.00 0.00 C ATOM 1038 O HIS A 69 -6.246 3.757 -8.292 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.352 5.619 -6.471 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.831 6.839 -5.746 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -6.997 7.650 -5.005 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -9.066 7.385 -5.651 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.699 8.641 -4.485 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.957 8.504 -4.862 1.00 0.00 N ATOM 0 H HIS A 69 -9.237 4.128 -7.567 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.800 6.597 -8.330 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.738 4.732 -5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.265 5.573 -6.409 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.969 7.010 -6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.310 9.429 -3.858 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.723 9.128 -4.609 1.00 0.00 H new ATOM 1052 N SER A 70 -6.458 5.256 -9.956 1.00 0.00 N ATOM 1053 CA SER A 70 -5.504 4.584 -10.831 1.00 0.00 C ATOM 1054 C SER A 70 -4.083 5.067 -10.558 1.00 0.00 C ATOM 1055 O SER A 70 -3.879 6.151 -10.010 1.00 0.00 O ATOM 1056 CB SER A 70 -5.865 4.829 -12.297 1.00 0.00 C ATOM 1057 OG SER A 70 -4.790 4.478 -13.152 1.00 0.00 O ATOM 0 H SER A 70 -6.867 6.104 -10.350 1.00 0.00 H new ATOM 0 HA SER A 70 -5.551 3.514 -10.626 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.748 4.246 -12.560 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.121 5.879 -12.441 1.00 0.00 H new ATOM 0 HG SER A 70 -5.046 4.642 -14.084 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.105 4.255 -10.942 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.703 4.599 -10.740 1.00 0.00 C ATOM 1065 C ILE A 71 -0.856 4.180 -11.937 1.00 0.00 C ATOM 1066 O ILE A 71 -0.686 2.990 -12.204 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.138 3.937 -9.469 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -1.893 4.429 -8.233 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.350 4.225 -9.338 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.899 3.436 -7.092 1.00 0.00 C ATOM 0 H ILE A 71 -3.257 3.354 -11.395 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.657 5.682 -10.627 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.273 2.858 -9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.444 5.361 -7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.922 4.655 -8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.734 3.751 -8.435 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.875 3.829 -10.207 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.508 5.302 -9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.452 3.852 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.375 2.511 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.874 3.228 -6.785 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.325 5.166 -12.653 1.00 0.00 N ATOM 1083 CA ARG A 72 0.505 4.900 -13.822 1.00 0.00 C ATOM 1084 C ARG A 72 1.726 4.067 -13.442 1.00 0.00 C ATOM 1085 O ARG A 72 1.962 2.998 -14.006 1.00 0.00 O ATOM 1086 CB ARG A 72 0.950 6.213 -14.467 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.068 6.790 -15.438 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.175 5.948 -16.699 1.00 0.00 C ATOM 1089 NE ARG A 72 1.071 5.945 -17.462 1.00 0.00 N ATOM 1090 CZ ARG A 72 1.148 5.593 -18.741 1.00 0.00 C ATOM 1091 NH1 ARG A 72 0.058 5.219 -19.396 1.00 0.00 N ATOM 1092 NH2 ARG A 72 2.318 5.616 -19.367 1.00 0.00 N ATOM 0 H ARG A 72 -0.455 6.156 -12.444 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.090 4.335 -14.539 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.147 6.944 -13.683 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.890 6.049 -14.994 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.043 6.847 -14.954 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.216 7.808 -15.702 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.438 4.925 -16.431 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.982 6.331 -17.324 1.00 0.00 H new ATOM 0 HE ARG A 72 1.928 6.228 -16.987 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.843 5.201 -18.918 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.120 4.949 -20.378 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.159 5.904 -18.866 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.377 5.346 -20.349 1.00 0.00 H new ATOM 1106 N HIS A 73 2.501 4.566 -12.484 1.00 0.00 N ATOM 1107 CA HIS A 73 3.699 3.868 -12.029 1.00 0.00 C ATOM 1108 C HIS A 73 3.734 3.786 -10.506 1.00 0.00 C ATOM 1109 O HIS A 73 4.213 4.691 -9.822 1.00 0.00 O ATOM 1110 CB HIS A 73 4.953 4.576 -12.543 1.00 0.00 C ATOM 1111 CG HIS A 73 4.975 4.752 -14.030 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.647 3.898 -14.879 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.400 5.690 -14.819 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.486 4.305 -16.126 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.733 5.389 -16.117 1.00 0.00 N ATOM 0 H HIS A 73 2.321 5.450 -12.008 1.00 0.00 H new ATOM 0 HA HIS A 73 3.674 2.854 -12.429 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.028 5.554 -12.069 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.832 4.007 -12.240 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.793 6.520 -14.489 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.900 3.831 -17.004 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.445 5.917 -16.941 1.00 0.00 H new ATOM 1123 N PRO A 74 3.215 2.676 -9.960 1.00 0.00 N ATOM 1124 CA PRO A 74 3.175 2.450 -8.512 1.00 0.00 C ATOM 1125 C PRO A 74 4.562 2.208 -7.926 1.00 0.00 C ATOM 1126 O PRO A 74 4.737 2.195 -6.707 1.00 0.00 O ATOM 1127 CB PRO A 74 2.309 1.196 -8.373 1.00 0.00 C ATOM 1128 CG PRO A 74 2.460 0.485 -9.674 1.00 0.00 C ATOM 1129 CD PRO A 74 2.627 1.557 -10.715 1.00 0.00 C ATOM 0 HA PRO A 74 2.786 3.315 -7.974 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.642 0.575 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.267 1.453 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.323 -0.180 -9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.586 -0.132 -9.885 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.279 1.232 -11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.673 1.833 -11.165 1.00 0.00 H new ATOM 1137 N ASP A 75 5.544 2.016 -8.799 1.00 0.00 N ATOM 1138 CA ASP A 75 6.916 1.776 -8.367 1.00 0.00 C ATOM 1139 C ASP A 75 7.523 3.036 -7.760 1.00 0.00 C ATOM 1140 O ASP A 75 8.256 2.972 -6.773 1.00 0.00 O ATOM 1141 CB ASP A 75 7.768 1.301 -9.545 1.00 0.00 C ATOM 1142 CG ASP A 75 9.247 1.558 -9.331 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.673 1.623 -8.159 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.977 1.694 -10.334 1.00 0.00 O ATOM 0 H ASP A 75 5.416 2.022 -9.811 1.00 0.00 H new ATOM 0 HA ASP A 75 6.900 0.998 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.606 0.234 -9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.442 1.808 -10.453 1.00 0.00 H new ATOM 1149 N VAL A 76 7.214 4.183 -8.357 1.00 0.00 N ATOM 1150 CA VAL A 76 7.729 5.459 -7.875 1.00 0.00 C ATOM 1151 C VAL A 76 6.620 6.300 -7.254 1.00 0.00 C ATOM 1152 O VAL A 76 6.833 6.984 -6.254 1.00 0.00 O ATOM 1153 CB VAL A 76 8.392 6.262 -9.011 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.600 5.516 -9.557 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.388 6.550 -10.116 1.00 0.00 C ATOM 0 H VAL A 76 6.609 4.254 -9.175 1.00 0.00 H new ATOM 0 HA VAL A 76 8.477 5.232 -7.116 1.00 0.00 H new ATOM 0 HB VAL A 76 8.735 7.214 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.055 6.098 -10.358 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.327 5.367 -8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.284 4.548 -9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.873 7.118 -10.910 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.012 5.610 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.558 7.129 -9.711 1.00 0.00 H new ATOM 1165 N GLU A 77 5.435 6.243 -7.854 1.00 0.00 N ATOM 1166 CA GLU A 77 4.292 7.001 -7.359 1.00 0.00 C ATOM 1167 C GLU A 77 3.856 6.494 -5.987 1.00 0.00 C ATOM 1168 O GLU A 77 3.623 7.279 -5.068 1.00 0.00 O ATOM 1169 CB GLU A 77 3.124 6.907 -8.344 1.00 0.00 C ATOM 1170 CG GLU A 77 3.411 7.548 -9.691 1.00 0.00 C ATOM 1171 CD GLU A 77 2.150 7.983 -10.411 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.295 7.115 -10.687 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.017 9.191 -10.698 1.00 0.00 O ATOM 0 H GLU A 77 5.242 5.680 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 77 4.594 8.044 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.872 5.858 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.249 7.384 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.059 8.412 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.957 6.841 -10.316 1.00 0.00 H new ATOM 1180 N VAL A 78 3.748 5.176 -5.857 1.00 0.00 N ATOM 1181 CA VAL A 78 3.341 4.563 -4.598 1.00 0.00 C ATOM 1182 C VAL A 78 4.553 4.126 -3.782 1.00 0.00 C ATOM 1183 O VAL A 78 5.353 3.305 -4.231 1.00 0.00 O ATOM 1184 CB VAL A 78 2.430 3.344 -4.836 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.010 2.724 -3.511 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.213 3.741 -5.657 1.00 0.00 C ATOM 0 H VAL A 78 3.937 4.512 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 78 2.786 5.319 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 78 2.991 2.597 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.367 1.864 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.896 2.402 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.466 3.461 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.580 2.868 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.648 4.506 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.537 4.134 -6.621 1.00 0.00 H new ATOM 1196 N ASP A 79 4.682 4.680 -2.582 1.00 0.00 N ATOM 1197 CA ASP A 79 5.796 4.346 -1.701 1.00 0.00 C ATOM 1198 C ASP A 79 5.627 2.947 -1.118 1.00 0.00 C ATOM 1199 O ASP A 79 4.558 2.595 -0.620 1.00 0.00 O ATOM 1200 CB ASP A 79 5.907 5.373 -0.573 1.00 0.00 C ATOM 1201 CG ASP A 79 7.044 5.065 0.380 1.00 0.00 C ATOM 1202 OD1 ASP A 79 7.411 3.877 0.502 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.568 6.011 1.006 1.00 0.00 O ATOM 0 H ASP A 79 4.029 5.362 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 79 6.712 4.365 -2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.054 6.364 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.969 5.402 -0.018 1.00 0.00 H new ATOM 1208 N GLY A 80 6.691 2.152 -1.184 1.00 0.00 N ATOM 1209 CA GLY A 80 6.640 0.799 -0.660 1.00 0.00 C ATOM 1210 C GLY A 80 6.894 -0.246 -1.727 1.00 0.00 C ATOM 1211 O GLY A 80 7.553 -1.255 -1.474 1.00 0.00 O ATOM 0 H GLY A 80 7.587 2.421 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.380 0.692 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.663 0.624 -0.210 1.00 0.00 H new ATOM 1215 N PHE A 81 6.369 -0.007 -2.924 1.00 0.00 N ATOM 1216 CA PHE A 81 6.540 -0.938 -4.034 1.00 0.00 C ATOM 1217 C PHE A 81 7.922 -1.584 -3.994 1.00 0.00 C ATOM 1218 O PHE A 81 8.046 -2.806 -3.917 1.00 0.00 O ATOM 1219 CB PHE A 81 6.341 -0.216 -5.368 1.00 0.00 C ATOM 1220 CG PHE A 81 6.469 -1.117 -6.563 1.00 0.00 C ATOM 1221 CD1 PHE A 81 5.386 -1.861 -7.005 1.00 0.00 C ATOM 1222 CD2 PHE A 81 7.671 -1.221 -7.244 1.00 0.00 C ATOM 1223 CE1 PHE A 81 5.502 -2.692 -8.103 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.792 -2.050 -8.343 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.705 -2.786 -8.774 1.00 0.00 C ATOM 0 H PHE A 81 5.822 0.823 -3.151 1.00 0.00 H new ATOM 0 HA PHE A 81 5.789 -1.722 -3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.355 0.248 -5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.072 0.588 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.442 -1.790 -6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.524 -0.647 -6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.651 -3.268 -8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.735 -2.122 -8.864 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.796 -3.433 -9.634 1.00 0.00 H new ATOM 1235 N SER A 82 8.958 -0.753 -4.047 1.00 0.00 N ATOM 1236 CA SER A 82 10.332 -1.242 -4.021 1.00 0.00 C ATOM 1237 C SER A 82 10.541 -2.214 -2.863 1.00 0.00 C ATOM 1238 O SER A 82 11.151 -3.270 -3.029 1.00 0.00 O ATOM 1239 CB SER A 82 11.310 -0.072 -3.903 1.00 0.00 C ATOM 1240 OG SER A 82 12.652 -0.528 -3.888 1.00 0.00 O ATOM 0 H SER A 82 8.872 0.262 -4.108 1.00 0.00 H new ATOM 0 HA SER A 82 10.521 -1.771 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.165 0.613 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.103 0.489 -2.991 1.00 0.00 H new ATOM 0 HG SER A 82 13.257 0.239 -3.813 1.00 0.00 H new ATOM 1246 N GLU A 83 10.030 -1.847 -1.692 1.00 0.00 N ATOM 1247 CA GLU A 83 10.162 -2.686 -0.506 1.00 0.00 C ATOM 1248 C GLU A 83 9.477 -4.034 -0.715 1.00 0.00 C ATOM 1249 O GLU A 83 10.004 -5.077 -0.326 1.00 0.00 O ATOM 1250 CB GLU A 83 9.564 -1.981 0.713 1.00 0.00 C ATOM 1251 CG GLU A 83 10.486 -0.941 1.327 1.00 0.00 C ATOM 1252 CD GLU A 83 9.820 -0.157 2.442 1.00 0.00 C ATOM 1253 OE1 GLU A 83 9.572 -0.744 3.515 1.00 0.00 O ATOM 1254 OE2 GLU A 83 9.547 1.045 2.239 1.00 0.00 O ATOM 0 H GLU A 83 9.522 -0.976 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 83 11.224 -2.860 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.630 -1.500 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.317 -2.727 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.376 -1.435 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.818 -0.251 0.551 1.00 0.00 H new ATOM 1261 N LEU A 84 8.300 -4.004 -1.329 1.00 0.00 N ATOM 1262 CA LEU A 84 7.542 -5.222 -1.590 1.00 0.00 C ATOM 1263 C LEU A 84 8.414 -6.272 -2.270 1.00 0.00 C ATOM 1264 O LEU A 84 9.510 -5.971 -2.745 1.00 0.00 O ATOM 1265 CB LEU A 84 6.324 -4.912 -2.462 1.00 0.00 C ATOM 1266 CG LEU A 84 5.275 -3.986 -1.845 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.235 -3.592 -2.883 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.612 -4.653 -0.649 1.00 0.00 C ATOM 0 H LEU A 84 7.850 -3.149 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 84 7.204 -5.621 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.673 -4.464 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.840 -5.853 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 84 5.775 -3.081 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.497 -2.933 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.723 -3.073 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.739 -4.487 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.869 -3.980 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.126 -5.574 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.366 -4.884 0.103 1.00 0.00 H new ATOM 1280 N ARG A 85 7.921 -7.506 -2.315 1.00 0.00 N ATOM 1281 CA ARG A 85 8.656 -8.600 -2.938 1.00 0.00 C ATOM 1282 C ARG A 85 8.347 -8.682 -4.430 1.00 0.00 C ATOM 1283 O ARG A 85 7.357 -8.121 -4.901 1.00 0.00 O ATOM 1284 CB ARG A 85 8.308 -9.927 -2.261 1.00 0.00 C ATOM 1285 CG ARG A 85 8.838 -10.043 -0.841 1.00 0.00 C ATOM 1286 CD ARG A 85 8.256 -11.253 -0.126 1.00 0.00 C ATOM 1287 NE ARG A 85 9.044 -11.629 1.044 1.00 0.00 N ATOM 1288 CZ ARG A 85 8.527 -12.203 2.124 1.00 0.00 C ATOM 1289 NH1 ARG A 85 7.229 -12.467 2.182 1.00 0.00 N ATOM 1290 NH2 ARG A 85 9.310 -12.516 3.150 1.00 0.00 N ATOM 0 H ARG A 85 7.016 -7.773 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 85 9.721 -8.405 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.224 -10.045 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.709 -10.746 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.925 -10.120 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.593 -9.138 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.233 -11.035 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.209 -12.095 -0.817 1.00 0.00 H new ATOM 0 HE ARG A 85 10.046 -11.441 1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.625 -12.229 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.835 -12.908 3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.309 -12.315 3.109 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.912 -12.957 3.979 1.00 0.00 H new ATOM 1304 N TRP A 86 9.200 -9.383 -5.168 1.00 0.00 N ATOM 1305 CA TRP A 86 9.018 -9.538 -6.607 1.00 0.00 C ATOM 1306 C TRP A 86 7.573 -9.892 -6.938 1.00 0.00 C ATOM 1307 O TRP A 86 6.909 -9.184 -7.696 1.00 0.00 O ATOM 1308 CB TRP A 86 9.957 -10.618 -7.147 1.00 0.00 C ATOM 1309 CG TRP A 86 10.000 -10.673 -8.644 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.817 -9.952 -9.468 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.190 -11.491 -9.495 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.564 -10.273 -10.779 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.571 -11.216 -10.823 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.183 -12.432 -9.264 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 8.977 -11.846 -11.913 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.594 -13.057 -10.347 1.00 0.00 C ATOM 1317 CH2 TRP A 86 7.993 -12.763 -11.658 1.00 0.00 C ATOM 0 H TRP A 86 10.024 -9.853 -4.794 1.00 0.00 H new ATOM 0 HA TRP A 86 9.257 -8.587 -7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 86 10.963 -10.437 -6.768 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.642 -11.588 -6.764 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.554 -9.235 -9.137 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.039 -9.874 -11.589 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.871 -12.667 -8.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.282 -11.619 -12.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.813 -13.784 -10.180 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.515 -13.270 -12.483 1.00 0.00 H new ATOM 1328 N ASP A 87 7.091 -10.989 -6.366 1.00 0.00 N ATOM 1329 CA ASP A 87 5.722 -11.436 -6.600 1.00 0.00 C ATOM 1330 C ASP A 87 4.752 -10.260 -6.554 1.00 0.00 C ATOM 1331 O ASP A 87 4.090 -9.950 -7.545 1.00 0.00 O ATOM 1332 CB ASP A 87 5.321 -12.485 -5.562 1.00 0.00 C ATOM 1333 CG ASP A 87 4.108 -13.288 -5.989 1.00 0.00 C ATOM 1334 OD1 ASP A 87 4.070 -13.727 -7.157 1.00 0.00 O ATOM 1335 OD2 ASP A 87 3.198 -13.477 -5.155 1.00 0.00 O ATOM 0 H ASP A 87 7.628 -11.586 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 87 5.676 -11.883 -7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.159 -13.161 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.111 -11.991 -4.613 1.00 0.00 H new ATOM 1340 N ASP A 88 4.672 -9.610 -5.399 1.00 0.00 N ATOM 1341 CA ASP A 88 3.782 -8.468 -5.224 1.00 0.00 C ATOM 1342 C ASP A 88 4.028 -7.417 -6.302 1.00 0.00 C ATOM 1343 O ASP A 88 3.116 -7.051 -7.043 1.00 0.00 O ATOM 1344 CB ASP A 88 3.977 -7.850 -3.838 1.00 0.00 C ATOM 1345 CG ASP A 88 3.808 -8.863 -2.723 1.00 0.00 C ATOM 1346 OD1 ASP A 88 4.795 -9.555 -2.397 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.690 -8.965 -2.177 1.00 0.00 O ATOM 0 H ASP A 88 5.213 -9.854 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 88 2.755 -8.822 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.972 -7.409 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.261 -7.040 -3.701 1.00 0.00 H new ATOM 1352 N GLN A 89 5.264 -6.937 -6.382 1.00 0.00 N ATOM 1353 CA GLN A 89 5.628 -5.927 -7.369 1.00 0.00 C ATOM 1354 C GLN A 89 4.931 -6.190 -8.699 1.00 0.00 C ATOM 1355 O GLN A 89 4.402 -5.271 -9.325 1.00 0.00 O ATOM 1356 CB GLN A 89 7.144 -5.904 -7.570 1.00 0.00 C ATOM 1357 CG GLN A 89 7.908 -5.346 -6.380 1.00 0.00 C ATOM 1358 CD GLN A 89 9.373 -5.107 -6.686 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.823 -5.300 -7.816 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.127 -4.683 -5.678 1.00 0.00 N ATOM 0 H GLN A 89 6.030 -7.231 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 89 5.303 -4.956 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.491 -6.918 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.376 -5.307 -8.452 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.449 -4.409 -6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.824 -6.038 -5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.713 -4.536 -4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.120 -4.504 -5.824 1.00 0.00 H new ATOM 1369 N GLN A 90 4.934 -7.449 -9.125 1.00 0.00 N ATOM 1370 CA GLN A 90 4.302 -7.831 -10.383 1.00 0.00 C ATOM 1371 C GLN A 90 2.784 -7.731 -10.281 1.00 0.00 C ATOM 1372 O GLN A 90 2.125 -7.197 -11.173 1.00 0.00 O ATOM 1373 CB GLN A 90 4.707 -9.254 -10.769 1.00 0.00 C ATOM 1374 CG GLN A 90 6.181 -9.395 -11.112 1.00 0.00 C ATOM 1375 CD GLN A 90 6.486 -9.011 -12.547 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.764 -9.390 -13.470 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.560 -8.254 -12.742 1.00 0.00 N ATOM 0 H GLN A 90 5.367 -8.221 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 90 4.642 -7.142 -11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.468 -9.927 -9.945 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.111 -9.573 -11.624 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.768 -8.769 -10.440 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.493 -10.425 -10.942 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.130 -7.963 -11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.815 -7.964 -13.686 1.00 0.00 H new ATOM 1386 N LYS A 91 2.234 -8.250 -9.188 1.00 0.00 N ATOM 1387 CA LYS A 91 0.793 -8.219 -8.968 1.00 0.00 C ATOM 1388 C LYS A 91 0.258 -6.794 -9.063 1.00 0.00 C ATOM 1389 O LYS A 91 -0.591 -6.493 -9.903 1.00 0.00 O ATOM 1390 CB LYS A 91 0.452 -8.813 -7.599 1.00 0.00 C ATOM 1391 CG LYS A 91 -1.012 -8.672 -7.223 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.217 -8.799 -5.722 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.329 -10.254 -5.296 1.00 0.00 C ATOM 1394 NZ LYS A 91 -0.994 -10.438 -3.856 1.00 0.00 N ATOM 0 H LYS A 91 2.765 -8.697 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 91 0.320 -8.818 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.720 -9.870 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.062 -8.326 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.384 -7.705 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.596 -9.436 -7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.384 -8.329 -5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.120 -8.263 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.343 -10.610 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.661 -10.863 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.082 -11.443 -3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.018 -10.122 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.647 -9.877 -3.273 1.00 0.00 H new ATOM 1408 N VAL A 92 0.760 -5.919 -8.198 1.00 0.00 N ATOM 1409 CA VAL A 92 0.335 -4.525 -8.186 1.00 0.00 C ATOM 1410 C VAL A 92 0.516 -3.883 -9.557 1.00 0.00 C ATOM 1411 O VAL A 92 -0.349 -3.146 -10.030 1.00 0.00 O ATOM 1412 CB VAL A 92 1.118 -3.707 -7.142 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.693 -2.247 -7.178 1.00 0.00 C ATOM 1414 CG2 VAL A 92 0.922 -4.294 -5.752 1.00 0.00 C ATOM 0 H VAL A 92 1.462 -6.151 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.722 -4.520 -7.922 1.00 0.00 H new ATOM 0 HB VAL A 92 2.179 -3.757 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.257 -1.685 -6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.889 -1.835 -8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.372 -2.173 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.482 -3.705 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.137 -4.275 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.281 -5.323 -5.738 1.00 0.00 H new ATOM 1424 N LYS A 93 1.648 -4.169 -10.193 1.00 0.00 N ATOM 1425 CA LYS A 93 1.944 -3.622 -11.512 1.00 0.00 C ATOM 1426 C LYS A 93 0.773 -3.836 -12.465 1.00 0.00 C ATOM 1427 O LYS A 93 0.273 -2.889 -13.073 1.00 0.00 O ATOM 1428 CB LYS A 93 3.207 -4.272 -12.084 1.00 0.00 C ATOM 1429 CG LYS A 93 4.486 -3.534 -11.726 1.00 0.00 C ATOM 1430 CD LYS A 93 5.715 -4.283 -12.212 1.00 0.00 C ATOM 1431 CE LYS A 93 6.079 -3.894 -13.636 1.00 0.00 C ATOM 1432 NZ LYS A 93 5.272 -4.643 -14.639 1.00 0.00 N ATOM 0 H LYS A 93 2.375 -4.777 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 93 2.111 -2.550 -11.405 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.275 -5.297 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.119 -4.324 -13.169 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.468 -2.537 -12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.542 -3.403 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.555 -4.073 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.531 -5.356 -12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.924 -2.824 -13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.138 -4.086 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.839 -4.795 -15.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.991 -5.562 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.421 -4.095 -14.879 1.00 0.00 H new ATOM 1446 N LYS A 94 0.339 -5.085 -12.591 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.776 -5.424 -13.468 1.00 0.00 C ATOM 1448 C LYS A 94 -2.064 -4.760 -12.991 1.00 0.00 C ATOM 1449 O LYS A 94 -2.688 -3.992 -13.725 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.962 -6.942 -13.526 1.00 0.00 C ATOM 1451 CG LYS A 94 0.161 -7.665 -14.248 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.098 -9.160 -14.326 1.00 0.00 C ATOM 1453 CE LYS A 94 1.199 -9.945 -14.445 1.00 0.00 C ATOM 1454 NZ LYS A 94 1.918 -9.640 -15.713 1.00 0.00 N ATOM 0 H LYS A 94 0.743 -5.880 -12.096 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.546 -5.054 -14.467 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.038 -7.329 -12.510 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.906 -7.165 -14.024 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.268 -7.260 -15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.103 -7.485 -13.730 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.640 -9.483 -13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.735 -9.376 -15.184 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.843 -9.712 -13.597 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.983 -11.012 -14.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.797 -10.195 -15.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.313 -9.886 -16.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.147 -8.626 -15.747 1.00 0.00 H new ATOM 1468 N THR A 95 -2.458 -5.060 -11.757 1.00 0.00 N ATOM 1469 CA THR A 95 -3.671 -4.493 -11.183 1.00 0.00 C ATOM 1470 C THR A 95 -3.758 -2.995 -11.451 1.00 0.00 C ATOM 1471 O THR A 95 -4.816 -2.479 -11.810 1.00 0.00 O ATOM 1472 CB THR A 95 -3.741 -4.737 -9.664 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.504 -6.120 -9.378 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.097 -4.325 -9.111 1.00 0.00 C ATOM 0 H THR A 95 -1.954 -5.693 -11.136 1.00 0.00 H new ATOM 0 HA THR A 95 -4.512 -4.994 -11.663 1.00 0.00 H new ATOM 0 HB THR A 95 -2.972 -4.131 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.539 -6.292 -9.373 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.122 -4.507 -8.037 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.262 -3.265 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.880 -4.908 -9.596 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.638 -2.301 -11.273 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.587 -0.862 -11.498 1.00 0.00 C ATOM 1484 C ALA A 96 -2.704 -0.534 -12.983 1.00 0.00 C ATOM 1485 O ALA A 96 -3.453 0.361 -13.372 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.301 -0.284 -10.928 1.00 0.00 C ATOM 0 H ALA A 96 -1.754 -2.713 -10.974 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.435 -0.409 -10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.276 0.792 -11.103 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.259 -0.478 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.445 -0.751 -11.415 1.00 0.00 H new ATOM 1492 N GLU A 97 -1.959 -1.265 -13.806 1.00 0.00 N ATOM 1493 CA GLU A 97 -1.979 -1.049 -15.248 1.00 0.00 C ATOM 1494 C GLU A 97 -3.394 -1.199 -15.801 1.00 0.00 C ATOM 1495 O GLU A 97 -3.850 -0.380 -16.599 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.040 -2.034 -15.947 1.00 0.00 C ATOM 1497 CG GLU A 97 0.420 -1.614 -15.910 1.00 0.00 C ATOM 1498 CD GLU A 97 1.317 -2.551 -16.695 1.00 0.00 C ATOM 1499 OE1 GLU A 97 0.825 -3.177 -17.657 1.00 0.00 O ATOM 1500 OE2 GLU A 97 2.511 -2.658 -16.347 1.00 0.00 O ATOM 0 H GLU A 97 -1.335 -2.011 -13.499 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.637 -0.032 -15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.140 -3.013 -15.478 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.351 -2.145 -16.986 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.514 -0.605 -16.312 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.757 -1.577 -14.874 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.082 -2.251 -15.371 1.00 0.00 N ATOM 1508 CA ALA A 98 -5.445 -2.508 -15.821 1.00 0.00 C ATOM 1509 C ALA A 98 -6.420 -1.500 -15.222 1.00 0.00 C ATOM 1510 O ALA A 98 -7.292 -0.978 -15.916 1.00 0.00 O ATOM 1511 CB ALA A 98 -5.861 -3.927 -15.460 1.00 0.00 C ATOM 0 H ALA A 98 -3.718 -2.939 -14.712 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.470 -2.398 -16.905 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.881 -4.105 -15.802 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.188 -4.637 -15.941 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.813 -4.056 -14.379 1.00 0.00 H new