USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 885 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 20 THR OG1 : rot -85:sc= -0.218! USER MOD Set 1.2: A 108 MET CE :methyl -115:sc= -4.92! (180deg=-9.38!) USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= 0.0341 USER MOD Set 2.2: A 97 ASN : amide:sc=-0.00928 X(o=0.025,f=0.034) USER MOD Set 3.1: A 34 GLN : amide:sc= -1.03! X(o=0.057!,f=-0.34) USER MOD Set 3.2: A 79 SER OG : rot 116:sc= 1.09! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 146:sc= -1.69! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -69:sc= 1.03 USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.122) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.00826) USER MOD Single : A 37 LYS NZ :NH3+ -127:sc= -0.0167 (180deg=-0.198) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0933) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -129:sc= -0.0439 (180deg=-2.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -111:sc= 0.264 (180deg=-0.444) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -71:sc= 1.07 USER MOD Single : A 72 MET CE :methyl -118:sc= -0.213 (180deg=-2.18) USER MOD Single : A 73 THR OG1 : rot -150:sc= -1.51! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -100:sc= -0.0186 USER MOD Single : A 83 SER OG : rot -51:sc= 1.06 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc=-0.00858 K(o=-0.0086,f=-3.2!) USER MOD Single : A 92 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.3) USER MOD Single : A 98 THR OG1 : rot 166:sc= -0.279 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 179:sc= 0 (180deg=-0.00217) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -2.74! C(o=-2.7!,f=-10!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.0136 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 2.372 -12.763 -4.458 1.00 0.00 N ATOM 223 CA ILE A 14 3.046 -11.430 -4.687 1.00 0.00 C ATOM 224 C ILE A 14 2.221 -10.297 -4.052 1.00 0.00 C ATOM 225 O ILE A 14 2.775 -9.365 -3.502 1.00 0.00 O ATOM 226 CB ILE A 14 3.166 -11.226 -6.215 1.00 0.00 C ATOM 227 CG1 ILE A 14 3.903 -9.909 -6.499 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.776 -11.164 -6.859 1.00 0.00 C ATOM 229 CD1 ILE A 14 5.312 -9.952 -5.897 1.00 0.00 C ATOM 0 HA ILE A 14 4.033 -11.415 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 14 3.719 -12.066 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.964 -9.742 -7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.345 -9.073 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.879 -11.020 -7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.244 -12.096 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.215 -10.332 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.825 -9.013 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.243 -10.097 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.871 -10.777 -6.339 1.00 0.00 H new ATOM 241 N GLU A 15 0.906 -10.374 -4.104 1.00 0.00 N ATOM 242 CA GLU A 15 0.080 -9.291 -3.470 1.00 0.00 C ATOM 243 C GLU A 15 0.161 -9.412 -1.940 1.00 0.00 C ATOM 244 O GLU A 15 0.181 -8.415 -1.243 1.00 0.00 O ATOM 245 CB GLU A 15 -1.363 -9.487 -3.962 1.00 0.00 C ATOM 246 CG GLU A 15 -1.500 -8.904 -5.373 1.00 0.00 C ATOM 247 CD GLU A 15 -2.410 -9.802 -6.214 1.00 0.00 C ATOM 248 OE1 GLU A 15 -2.013 -10.921 -6.489 1.00 0.00 O ATOM 249 OE2 GLU A 15 -3.488 -9.354 -6.567 1.00 0.00 O ATOM 0 H GLU A 15 0.379 -11.125 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 15 0.440 -8.299 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.617 -10.547 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.061 -8.996 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.913 -7.896 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.519 -8.823 -5.841 1.00 0.00 H new ATOM 256 N GLY A 16 0.231 -10.619 -1.405 1.00 0.00 N ATOM 257 CA GLY A 16 0.336 -10.769 0.074 1.00 0.00 C ATOM 258 C GLY A 16 1.729 -10.299 0.514 1.00 0.00 C ATOM 259 O GLY A 16 1.864 -9.594 1.496 1.00 0.00 O ATOM 0 H GLY A 16 0.219 -11.492 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.436 -10.181 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.179 -11.809 0.361 1.00 0.00 H new ATOM 263 N ARG A 17 2.767 -10.667 -0.214 1.00 0.00 N ATOM 264 CA ARG A 17 4.148 -10.207 0.177 1.00 0.00 C ATOM 265 C ARG A 17 4.229 -8.672 0.168 1.00 0.00 C ATOM 266 O ARG A 17 5.059 -8.105 0.846 1.00 0.00 O ATOM 267 CB ARG A 17 5.123 -10.796 -0.856 1.00 0.00 C ATOM 268 CG ARG A 17 6.562 -10.535 -0.408 1.00 0.00 C ATOM 269 CD ARG A 17 7.519 -11.389 -1.242 1.00 0.00 C ATOM 270 NE ARG A 17 7.617 -12.682 -0.509 1.00 0.00 N ATOM 271 CZ ARG A 17 6.960 -13.725 -0.938 1.00 0.00 C ATOM 272 NH1 ARG A 17 7.160 -14.171 -2.148 1.00 0.00 N ATOM 273 NH2 ARG A 17 6.102 -14.323 -0.156 1.00 0.00 N ATOM 0 H ARG A 17 2.720 -11.255 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 17 4.395 -10.541 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.953 -11.867 -0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.948 -10.347 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.805 -9.479 -0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.674 -10.773 0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.139 -11.536 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.495 -10.913 -1.335 1.00 0.00 H new ATOM 0 HE ARG A 17 8.197 -12.752 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.830 -13.704 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.646 -14.986 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.945 -13.975 0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.588 -15.138 -0.491 1.00 0.00 H new ATOM 287 N TYR A 18 3.389 -7.982 -0.584 1.00 0.00 N ATOM 288 CA TYR A 18 3.470 -6.476 -0.580 1.00 0.00 C ATOM 289 C TYR A 18 3.181 -5.953 0.832 1.00 0.00 C ATOM 290 O TYR A 18 3.848 -5.052 1.307 1.00 0.00 O ATOM 291 CB TYR A 18 2.397 -5.959 -1.558 1.00 0.00 C ATOM 292 CG TYR A 18 2.994 -5.715 -2.927 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.814 -6.681 -3.526 1.00 0.00 C ATOM 294 CD2 TYR A 18 2.708 -4.525 -3.604 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.348 -6.452 -4.800 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.244 -4.295 -4.877 1.00 0.00 C ATOM 297 CZ TYR A 18 4.063 -5.259 -5.474 1.00 0.00 C ATOM 298 OH TYR A 18 4.590 -5.034 -6.730 1.00 0.00 O ATOM 0 H TYR A 18 2.669 -8.384 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 18 4.461 -6.136 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.587 -6.684 -1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.964 -5.035 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.034 -7.601 -3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.073 -3.782 -3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.980 -7.196 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.025 -3.374 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 18 4.294 -4.159 -7.057 1.00 0.00 H new ATOM 308 N ALA A 19 2.205 -6.516 1.517 1.00 0.00 N ATOM 309 CA ALA A 19 1.911 -6.036 2.911 1.00 0.00 C ATOM 310 C ALA A 19 2.961 -6.592 3.878 1.00 0.00 C ATOM 311 O ALA A 19 3.398 -5.901 4.778 1.00 0.00 O ATOM 312 CB ALA A 19 0.517 -6.560 3.285 1.00 0.00 C ATOM 0 H ALA A 19 1.610 -7.272 1.178 1.00 0.00 H new ATOM 0 HA ALA A 19 1.940 -4.948 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.264 -6.233 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.219 -6.170 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.515 -7.649 3.246 1.00 0.00 H new ATOM 318 N THR A 20 3.381 -7.832 3.701 1.00 0.00 N ATOM 319 CA THR A 20 4.415 -8.394 4.635 1.00 0.00 C ATOM 320 C THR A 20 5.799 -7.814 4.319 1.00 0.00 C ATOM 321 O THR A 20 6.591 -7.615 5.219 1.00 0.00 O ATOM 322 CB THR A 20 4.391 -9.922 4.480 1.00 0.00 C ATOM 323 OG1 THR A 20 3.781 -10.269 3.242 1.00 0.00 O ATOM 324 CG2 THR A 20 3.588 -10.522 5.638 1.00 0.00 C ATOM 0 H THR A 20 3.060 -8.464 2.967 1.00 0.00 H new ATOM 0 HA THR A 20 4.194 -8.124 5.668 1.00 0.00 H new ATOM 0 HB THR A 20 5.409 -10.312 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.808 -10.308 3.356 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.563 -11.607 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.058 -10.254 6.584 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.570 -10.132 5.615 1.00 0.00 H new ATOM 332 N ALA A 21 6.095 -7.498 3.072 1.00 0.00 N ATOM 333 CA ALA A 21 7.435 -6.884 2.779 1.00 0.00 C ATOM 334 C ALA A 21 7.435 -5.404 3.209 1.00 0.00 C ATOM 335 O ALA A 21 8.484 -4.814 3.387 1.00 0.00 O ATOM 336 CB ALA A 21 7.663 -7.010 1.265 1.00 0.00 C ATOM 0 H ALA A 21 5.484 -7.635 2.267 1.00 0.00 H new ATOM 0 HA ALA A 21 8.231 -7.387 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.628 -6.575 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.651 -8.062 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.872 -6.482 0.733 1.00 0.00 H new ATOM 342 N LEU A 22 6.273 -4.801 3.410 1.00 0.00 N ATOM 343 CA LEU A 22 6.241 -3.370 3.863 1.00 0.00 C ATOM 344 C LEU A 22 6.077 -3.347 5.379 1.00 0.00 C ATOM 345 O LEU A 22 6.731 -2.580 6.062 1.00 0.00 O ATOM 346 CB LEU A 22 5.024 -2.732 3.167 1.00 0.00 C ATOM 347 CG LEU A 22 5.152 -1.202 3.132 1.00 0.00 C ATOM 348 CD1 LEU A 22 5.207 -0.643 4.555 1.00 0.00 C ATOM 349 CD2 LEU A 22 6.423 -0.802 2.375 1.00 0.00 C ATOM 0 H LEU A 22 5.360 -5.237 3.280 1.00 0.00 H new ATOM 0 HA LEU A 22 7.152 -2.826 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.938 -3.117 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.111 -3.013 3.692 1.00 0.00 H new ATOM 0 HG LEU A 22 4.282 -0.790 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.298 0.443 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.295 -0.912 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.068 -1.061 5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.507 0.285 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.294 -1.224 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.373 -1.182 1.354 1.00 0.00 H new ATOM 361 N TYR A 23 5.229 -4.193 5.919 1.00 0.00 N ATOM 362 CA TYR A 23 5.065 -4.214 7.392 1.00 0.00 C ATOM 363 C TYR A 23 6.159 -5.099 8.037 1.00 0.00 C ATOM 364 O TYR A 23 6.361 -5.014 9.228 1.00 0.00 O ATOM 365 CB TYR A 23 3.609 -4.693 7.645 1.00 0.00 C ATOM 366 CG TYR A 23 3.547 -6.023 8.342 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.914 -6.125 9.681 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.124 -7.146 7.640 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.863 -7.356 10.324 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.071 -8.379 8.270 1.00 0.00 C ATOM 371 CZ TYR A 23 3.443 -8.494 9.618 1.00 0.00 C ATOM 372 OH TYR A 23 3.391 -9.721 10.247 1.00 0.00 O ATOM 0 H TYR A 23 4.654 -4.859 5.403 1.00 0.00 H new ATOM 0 HA TYR A 23 5.200 -3.238 7.859 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.085 -3.949 8.245 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.083 -4.762 6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.238 -5.247 10.220 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.836 -7.057 6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.146 -7.437 11.363 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.743 -9.251 7.724 1.00 0.00 H new ATOM 0 HH TYR A 23 2.641 -10.241 9.889 1.00 0.00 H new ATOM 382 N SER A 24 6.895 -5.922 7.284 1.00 0.00 N ATOM 383 CA SER A 24 7.988 -6.743 7.942 1.00 0.00 C ATOM 384 C SER A 24 8.888 -5.796 8.756 1.00 0.00 C ATOM 385 O SER A 24 9.274 -6.102 9.868 1.00 0.00 O ATOM 386 CB SER A 24 8.788 -7.418 6.820 1.00 0.00 C ATOM 387 OG SER A 24 10.125 -7.635 7.257 1.00 0.00 O ATOM 0 H SER A 24 6.788 -6.054 6.278 1.00 0.00 H new ATOM 0 HA SER A 24 7.581 -7.499 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.324 -8.366 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.783 -6.792 5.927 1.00 0.00 H new ATOM 0 HG SER A 24 10.637 -8.068 6.542 1.00 0.00 H new ATOM 393 N ALA A 25 9.158 -4.612 8.233 1.00 0.00 N ATOM 394 CA ALA A 25 9.955 -3.621 9.021 1.00 0.00 C ATOM 395 C ALA A 25 9.017 -3.005 10.071 1.00 0.00 C ATOM 396 O ALA A 25 9.408 -2.784 11.202 1.00 0.00 O ATOM 397 CB ALA A 25 10.446 -2.550 8.035 1.00 0.00 C ATOM 0 H ALA A 25 8.863 -4.300 7.308 1.00 0.00 H new ATOM 0 HA ALA A 25 10.810 -4.073 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.034 -1.805 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.064 -3.017 7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.589 -2.067 7.566 1.00 0.00 H new ATOM 403 N ALA A 26 7.762 -2.745 9.715 1.00 0.00 N ATOM 404 CA ALA A 26 6.805 -2.170 10.727 1.00 0.00 C ATOM 405 C ALA A 26 6.665 -3.135 11.917 1.00 0.00 C ATOM 406 O ALA A 26 6.563 -2.707 13.049 1.00 0.00 O ATOM 407 CB ALA A 26 5.450 -2.011 10.019 1.00 0.00 C ATOM 0 H ALA A 26 7.372 -2.905 8.786 1.00 0.00 H new ATOM 0 HA ALA A 26 7.162 -1.212 11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.722 -1.596 10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.561 -1.340 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.105 -2.985 9.671 1.00 0.00 H new ATOM 413 N SER A 27 6.663 -4.437 11.677 1.00 0.00 N ATOM 414 CA SER A 27 6.531 -5.411 12.823 1.00 0.00 C ATOM 415 C SER A 27 7.663 -5.170 13.835 1.00 0.00 C ATOM 416 O SER A 27 7.440 -5.186 15.030 1.00 0.00 O ATOM 417 CB SER A 27 6.645 -6.822 12.226 1.00 0.00 C ATOM 418 OG SER A 27 8.018 -7.139 12.025 1.00 0.00 O ATOM 0 H SER A 27 6.746 -4.860 10.753 1.00 0.00 H new ATOM 0 HA SER A 27 5.580 -5.288 13.341 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.186 -7.550 12.895 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.106 -6.874 11.280 1.00 0.00 H new ATOM 0 HG SER A 27 8.382 -6.578 11.308 1.00 0.00 H new ATOM 424 N LYS A 28 8.872 -4.925 13.365 1.00 0.00 N ATOM 425 CA LYS A 28 10.001 -4.659 14.326 1.00 0.00 C ATOM 426 C LYS A 28 9.703 -3.372 15.116 1.00 0.00 C ATOM 427 O LYS A 28 9.976 -3.295 16.300 1.00 0.00 O ATOM 428 CB LYS A 28 11.275 -4.482 13.484 1.00 0.00 C ATOM 429 CG LYS A 28 12.502 -4.770 14.349 1.00 0.00 C ATOM 430 CD LYS A 28 13.621 -5.340 13.475 1.00 0.00 C ATOM 431 CE LYS A 28 14.849 -5.630 14.342 1.00 0.00 C ATOM 432 NZ LYS A 28 14.561 -6.940 14.990 1.00 0.00 N ATOM 0 H LYS A 28 9.122 -4.898 12.377 1.00 0.00 H new ATOM 0 HA LYS A 28 10.122 -5.477 15.036 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.254 -5.156 12.628 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.325 -3.467 13.090 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.838 -3.856 14.838 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.246 -5.478 15.138 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.285 -6.254 12.985 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.878 -4.632 12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.756 -5.679 13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.002 -4.847 15.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.775 -6.879 16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.557 -7.178 14.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.150 -7.679 14.556 1.00 0.00 H new ATOM 446 N GLN A 29 9.131 -2.366 14.478 1.00 0.00 N ATOM 447 CA GLN A 29 8.808 -1.099 15.220 1.00 0.00 C ATOM 448 C GLN A 29 7.366 -1.118 15.783 1.00 0.00 C ATOM 449 O GLN A 29 6.943 -0.161 16.402 1.00 0.00 O ATOM 450 CB GLN A 29 8.968 0.039 14.203 1.00 0.00 C ATOM 451 CG GLN A 29 10.431 0.127 13.763 1.00 0.00 C ATOM 452 CD GLN A 29 10.714 1.528 13.206 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.994 2.443 13.956 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.655 1.743 11.914 1.00 0.00 N ATOM 0 H GLN A 29 8.878 -2.369 13.490 1.00 0.00 H new ATOM 0 HA GLN A 29 9.470 -0.976 16.077 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.327 -0.138 13.339 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.653 0.984 14.646 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.089 -0.080 14.607 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.640 -0.627 13.004 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.421 0.979 11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.844 2.674 11.543 1.00 0.00 H new ATOM 463 N ASN A 30 6.595 -2.183 15.575 1.00 0.00 N ATOM 464 CA ASN A 30 5.189 -2.243 16.097 1.00 0.00 C ATOM 465 C ASN A 30 4.320 -1.231 15.348 1.00 0.00 C ATOM 466 O ASN A 30 3.499 -0.556 15.940 1.00 0.00 O ATOM 467 CB ASN A 30 5.248 -1.914 17.599 1.00 0.00 C ATOM 468 CG ASN A 30 4.166 -2.711 18.339 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.035 -2.768 17.898 1.00 0.00 O ATOM 470 ND2 ASN A 30 4.462 -3.337 19.452 1.00 0.00 N ATOM 0 H ASN A 30 6.892 -3.013 15.061 1.00 0.00 H new ATOM 0 HA ASN A 30 4.750 -3.230 15.947 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.232 -2.159 17.998 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.098 -0.846 17.755 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.744 -3.869 19.944 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.410 -3.292 19.826 1.00 0.00 H new ATOM 477 N LYS A 31 4.487 -1.129 14.045 1.00 0.00 N ATOM 478 CA LYS A 31 3.652 -0.164 13.269 1.00 0.00 C ATOM 479 C LYS A 31 2.532 -0.875 12.478 1.00 0.00 C ATOM 480 O LYS A 31 1.855 -0.235 11.697 1.00 0.00 O ATOM 481 CB LYS A 31 4.611 0.542 12.308 1.00 0.00 C ATOM 482 CG LYS A 31 5.123 1.832 12.951 1.00 0.00 C ATOM 483 CD LYS A 31 6.439 1.555 13.680 1.00 0.00 C ATOM 484 CE LYS A 31 6.747 2.712 14.634 1.00 0.00 C ATOM 485 NZ LYS A 31 7.300 3.788 13.767 1.00 0.00 N ATOM 0 H LYS A 31 5.158 -1.667 13.497 1.00 0.00 H new ATOM 0 HA LYS A 31 3.153 0.534 13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.448 -0.113 12.067 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.102 0.768 11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.272 2.596 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.383 2.220 13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.369 0.620 14.236 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.249 1.438 12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.848 3.046 15.153 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.464 2.413 15.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.288 3.974 14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.259 3.488 12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.739 4.655 13.890 1.00 0.00 H new ATOM 499 N LEU A 32 2.305 -2.177 12.666 1.00 0.00 N ATOM 500 CA LEU A 32 1.189 -2.864 11.905 1.00 0.00 C ATOM 501 C LEU A 32 -0.112 -2.047 12.019 1.00 0.00 C ATOM 502 O LEU A 32 -0.886 -1.990 11.088 1.00 0.00 O ATOM 503 CB LEU A 32 1.020 -4.248 12.539 1.00 0.00 C ATOM 504 CG LEU A 32 1.988 -5.221 11.850 1.00 0.00 C ATOM 505 CD1 LEU A 32 2.754 -6.039 12.893 1.00 0.00 C ATOM 506 CD2 LEU A 32 1.208 -6.155 10.908 1.00 0.00 C ATOM 0 H LEU A 32 2.834 -2.776 13.300 1.00 0.00 H new ATOM 0 HA LEU A 32 1.423 -2.950 10.844 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.226 -4.202 13.608 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.008 -4.593 12.427 1.00 0.00 H new ATOM 0 HG LEU A 32 2.707 -4.648 11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.436 -6.724 12.389 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.323 -5.367 13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.049 -6.609 13.498 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.900 -6.843 10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.476 -6.723 11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.695 -5.562 10.151 1.00 0.00 H new ATOM 518 N GLU A 33 -0.335 -1.375 13.133 1.00 0.00 N ATOM 519 CA GLU A 33 -1.571 -0.523 13.241 1.00 0.00 C ATOM 520 C GLU A 33 -1.383 0.702 12.329 1.00 0.00 C ATOM 521 O GLU A 33 -2.283 1.090 11.608 1.00 0.00 O ATOM 522 CB GLU A 33 -1.695 -0.093 14.711 1.00 0.00 C ATOM 523 CG GLU A 33 -2.087 -1.300 15.566 1.00 0.00 C ATOM 524 CD GLU A 33 -2.808 -0.820 16.827 1.00 0.00 C ATOM 525 OE1 GLU A 33 -2.419 0.210 17.352 1.00 0.00 O ATOM 526 OE2 GLU A 33 -3.736 -1.491 17.246 1.00 0.00 O ATOM 0 H GLU A 33 0.271 -1.379 13.954 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.472 -1.055 12.936 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.749 0.322 15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.443 0.693 14.809 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.734 -1.968 14.997 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.199 -1.871 15.837 1.00 0.00 H new ATOM 533 N GLN A 34 -0.202 1.298 12.334 1.00 0.00 N ATOM 534 CA GLN A 34 0.052 2.482 11.433 1.00 0.00 C ATOM 535 C GLN A 34 0.007 2.059 9.955 1.00 0.00 C ATOM 536 O GLN A 34 -0.269 2.872 9.092 1.00 0.00 O ATOM 537 CB GLN A 34 1.455 3.011 11.784 1.00 0.00 C ATOM 538 CG GLN A 34 1.495 3.440 13.259 1.00 0.00 C ATOM 539 CD GLN A 34 2.070 4.859 13.375 1.00 0.00 C ATOM 540 OE1 GLN A 34 2.987 5.089 14.138 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.571 5.828 12.646 1.00 0.00 N ATOM 0 H GLN A 34 0.588 1.019 12.916 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.711 3.247 11.578 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.202 2.238 11.600 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.706 3.856 11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.491 3.409 13.683 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.105 2.743 13.833 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.801 5.639 12.004 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.953 6.771 12.721 1.00 0.00 H new ATOM 550 N VAL A 35 0.290 0.808 9.643 1.00 0.00 N ATOM 551 CA VAL A 35 0.271 0.381 8.203 1.00 0.00 C ATOM 552 C VAL A 35 -1.033 -0.373 7.865 1.00 0.00 C ATOM 553 O VAL A 35 -1.542 -0.254 6.765 1.00 0.00 O ATOM 554 CB VAL A 35 1.498 -0.547 7.991 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.894 -0.517 6.515 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.711 -0.099 8.842 1.00 0.00 C ATOM 0 H VAL A 35 0.529 0.077 10.313 1.00 0.00 H new ATOM 0 HA VAL A 35 0.317 1.251 7.548 1.00 0.00 H new ATOM 0 HB VAL A 35 1.218 -1.554 8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.755 -1.166 6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.059 -0.866 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.150 0.503 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.549 -0.774 8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.997 0.915 8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.443 -0.122 9.898 1.00 0.00 H new ATOM 566 N GLU A 36 -1.581 -1.146 8.783 1.00 0.00 N ATOM 567 CA GLU A 36 -2.855 -1.893 8.472 1.00 0.00 C ATOM 568 C GLU A 36 -4.065 -0.941 8.449 1.00 0.00 C ATOM 569 O GLU A 36 -5.024 -1.186 7.739 1.00 0.00 O ATOM 570 CB GLU A 36 -3.046 -2.932 9.587 1.00 0.00 C ATOM 571 CG GLU A 36 -4.000 -4.027 9.107 1.00 0.00 C ATOM 572 CD GLU A 36 -4.256 -5.019 10.243 1.00 0.00 C ATOM 573 OE1 GLU A 36 -3.440 -5.908 10.422 1.00 0.00 O ATOM 574 OE2 GLU A 36 -5.263 -4.871 10.916 1.00 0.00 O ATOM 0 H GLU A 36 -1.209 -1.292 9.721 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.784 -2.361 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.085 -3.367 9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.446 -2.453 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.940 -3.585 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.573 -4.545 8.248 1.00 0.00 H new ATOM 581 N LYS A 37 -4.050 0.129 9.225 1.00 0.00 N ATOM 582 CA LYS A 37 -5.236 1.055 9.230 1.00 0.00 C ATOM 583 C LYS A 37 -5.134 2.096 8.111 1.00 0.00 C ATOM 584 O LYS A 37 -6.142 2.467 7.535 1.00 0.00 O ATOM 585 CB LYS A 37 -5.248 1.741 10.604 1.00 0.00 C ATOM 586 CG LYS A 37 -6.694 1.950 11.058 1.00 0.00 C ATOM 587 CD LYS A 37 -6.709 2.413 12.516 1.00 0.00 C ATOM 588 CE LYS A 37 -7.949 1.854 13.216 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.610 0.436 13.526 1.00 0.00 N ATOM 0 H LYS A 37 -3.283 0.395 9.842 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.157 0.499 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.712 1.131 11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.731 2.699 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.182 2.691 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.257 1.022 10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.807 2.074 13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.712 3.502 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.176 2.413 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.828 1.919 12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.353 -0.188 13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.700 0.192 13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.540 0.313 14.556 1.00 0.00 H new ATOM 603 N GLU A 38 -3.949 2.566 7.774 1.00 0.00 N ATOM 604 CA GLU A 38 -3.867 3.572 6.664 1.00 0.00 C ATOM 605 C GLU A 38 -4.070 2.855 5.320 1.00 0.00 C ATOM 606 O GLU A 38 -4.715 3.378 4.431 1.00 0.00 O ATOM 607 CB GLU A 38 -2.484 4.219 6.750 1.00 0.00 C ATOM 608 CG GLU A 38 -2.535 5.380 7.746 1.00 0.00 C ATOM 609 CD GLU A 38 -2.626 4.831 9.172 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.710 4.429 9.562 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.612 4.825 9.850 1.00 0.00 O ATOM 0 H GLU A 38 -3.062 2.305 8.206 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.637 4.339 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.744 3.484 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.176 4.579 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.646 6.001 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.395 6.016 7.535 1.00 0.00 H new ATOM 618 N LEU A 39 -3.554 1.646 5.167 1.00 0.00 N ATOM 619 CA LEU A 39 -3.766 0.904 3.870 1.00 0.00 C ATOM 620 C LEU A 39 -5.274 0.786 3.574 1.00 0.00 C ATOM 621 O LEU A 39 -5.687 0.856 2.432 1.00 0.00 O ATOM 622 CB LEU A 39 -3.157 -0.496 4.051 1.00 0.00 C ATOM 623 CG LEU A 39 -1.701 -0.489 3.581 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.999 -1.756 4.073 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.662 -0.446 2.051 1.00 0.00 C ATOM 0 H LEU A 39 -3.006 1.150 5.870 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.298 1.429 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.210 -0.794 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.729 -1.229 3.482 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.192 0.387 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.038 -1.751 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.028 -1.789 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.506 -2.633 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.626 -0.441 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.170 -1.323 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.162 0.456 1.699 1.00 0.00 H new ATOM 637 N LEU A 40 -6.104 0.614 4.593 1.00 0.00 N ATOM 638 CA LEU A 40 -7.588 0.504 4.334 1.00 0.00 C ATOM 639 C LEU A 40 -8.090 1.762 3.601 1.00 0.00 C ATOM 640 O LEU A 40 -8.934 1.675 2.729 1.00 0.00 O ATOM 641 CB LEU A 40 -8.271 0.390 5.711 1.00 0.00 C ATOM 642 CG LEU A 40 -9.605 -0.361 5.591 1.00 0.00 C ATOM 643 CD1 LEU A 40 -10.540 0.377 4.627 1.00 0.00 C ATOM 644 CD2 LEU A 40 -9.356 -1.782 5.075 1.00 0.00 C ATOM 0 H LEU A 40 -5.824 0.547 5.572 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.814 -0.361 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.614 -0.133 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.443 1.385 6.121 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.072 -0.409 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.483 -0.164 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.729 1.383 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.074 0.438 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.306 -2.310 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.880 -1.735 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.705 -2.313 5.770 1.00 0.00 H new ATOM 656 N ARG A 41 -7.584 2.932 3.946 1.00 0.00 N ATOM 657 CA ARG A 41 -8.054 4.187 3.250 1.00 0.00 C ATOM 658 C ARG A 41 -7.832 4.070 1.733 1.00 0.00 C ATOM 659 O ARG A 41 -8.657 4.506 0.952 1.00 0.00 O ATOM 660 CB ARG A 41 -7.220 5.348 3.816 1.00 0.00 C ATOM 661 CG ARG A 41 -7.908 5.914 5.059 1.00 0.00 C ATOM 662 CD ARG A 41 -7.164 7.165 5.530 1.00 0.00 C ATOM 663 NE ARG A 41 -8.016 7.735 6.610 1.00 0.00 N ATOM 664 CZ ARG A 41 -7.735 7.491 7.860 1.00 0.00 C ATOM 665 NH1 ARG A 41 -8.234 6.437 8.447 1.00 0.00 N ATOM 666 NH2 ARG A 41 -6.958 8.301 8.525 1.00 0.00 N ATOM 0 H ARG A 41 -6.877 3.072 4.668 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.119 4.349 3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.218 5.000 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.106 6.128 3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.946 6.159 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.922 5.166 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.170 6.917 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.032 7.876 4.715 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.820 8.316 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.843 5.805 7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.014 6.246 9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.570 9.126 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.739 8.110 9.503 1.00 0.00 H new ATOM 680 N VAL A 42 -6.730 3.482 1.304 1.00 0.00 N ATOM 681 CA VAL A 42 -6.486 3.347 -0.182 1.00 0.00 C ATOM 682 C VAL A 42 -7.641 2.561 -0.831 1.00 0.00 C ATOM 683 O VAL A 42 -8.061 2.871 -1.931 1.00 0.00 O ATOM 684 CB VAL A 42 -5.153 2.592 -0.347 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.849 2.387 -1.834 1.00 0.00 C ATOM 686 CG2 VAL A 42 -4.023 3.409 0.286 1.00 0.00 C ATOM 0 H VAL A 42 -6.001 3.096 1.904 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.437 4.321 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.231 1.622 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.905 1.853 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.649 1.806 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.776 3.356 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.079 2.876 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.955 4.379 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.229 3.555 1.346 1.00 0.00 H new ATOM 696 N GLY A 43 -8.161 1.550 -0.163 1.00 0.00 N ATOM 697 CA GLY A 43 -9.287 0.763 -0.749 1.00 0.00 C ATOM 698 C GLY A 43 -10.512 1.673 -0.906 1.00 0.00 C ATOM 699 O GLY A 43 -11.125 1.715 -1.957 1.00 0.00 O ATOM 0 H GLY A 43 -7.851 1.242 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.996 0.355 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.528 -0.083 -0.106 1.00 0.00 H new ATOM 703 N GLN A 44 -10.877 2.411 0.128 1.00 0.00 N ATOM 704 CA GLN A 44 -12.072 3.326 0.008 1.00 0.00 C ATOM 705 C GLN A 44 -11.864 4.316 -1.152 1.00 0.00 C ATOM 706 O GLN A 44 -12.791 4.629 -1.874 1.00 0.00 O ATOM 707 CB GLN A 44 -12.181 4.090 1.339 1.00 0.00 C ATOM 708 CG GLN A 44 -12.768 3.169 2.411 1.00 0.00 C ATOM 709 CD GLN A 44 -13.202 4.004 3.621 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.393 4.323 4.470 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.453 4.378 3.743 1.00 0.00 N ATOM 0 H GLN A 44 -10.409 2.420 1.034 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.981 2.759 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.198 4.445 1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.813 4.970 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.621 2.622 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.028 2.428 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -15.136 4.113 3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.743 4.934 4.548 1.00 0.00 H new ATOM 720 N ILE A 45 -10.652 4.805 -1.344 1.00 0.00 N ATOM 721 CA ILE A 45 -10.406 5.771 -2.477 1.00 0.00 C ATOM 722 C ILE A 45 -10.751 5.087 -3.811 1.00 0.00 C ATOM 723 O ILE A 45 -11.405 5.671 -4.655 1.00 0.00 O ATOM 724 CB ILE A 45 -8.907 6.144 -2.406 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.642 6.914 -1.108 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.507 7.028 -3.594 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.194 6.696 -0.660 1.00 0.00 C ATOM 0 H ILE A 45 -9.835 4.582 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.024 6.666 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.320 5.226 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.829 7.977 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.327 6.579 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.448 7.277 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.691 6.492 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.097 7.944 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.012 7.246 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.022 5.633 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.516 7.053 -1.435 1.00 0.00 H new ATOM 739 N LEU A 46 -10.341 3.850 -4.000 1.00 0.00 N ATOM 740 CA LEU A 46 -10.688 3.144 -5.283 1.00 0.00 C ATOM 741 C LEU A 46 -12.165 2.713 -5.251 1.00 0.00 C ATOM 742 O LEU A 46 -12.837 2.734 -6.264 1.00 0.00 O ATOM 743 CB LEU A 46 -9.771 1.909 -5.370 1.00 0.00 C ATOM 744 CG LEU A 46 -9.621 1.446 -6.828 1.00 0.00 C ATOM 745 CD1 LEU A 46 -10.985 1.064 -7.408 1.00 0.00 C ATOM 746 CD2 LEU A 46 -9.005 2.565 -7.676 1.00 0.00 C ATOM 0 H LEU A 46 -9.791 3.306 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.546 3.792 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.791 2.147 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.184 1.100 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.966 0.575 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.863 0.738 -8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.416 0.253 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.649 1.928 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.903 2.226 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.651 3.443 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.023 2.823 -7.280 1.00 0.00 H new ATOM 758 N LYS A 47 -12.683 2.340 -4.096 1.00 0.00 N ATOM 759 CA LYS A 47 -14.125 1.933 -4.026 1.00 0.00 C ATOM 760 C LYS A 47 -15.024 3.169 -4.161 1.00 0.00 C ATOM 761 O LYS A 47 -16.141 3.067 -4.636 1.00 0.00 O ATOM 762 CB LYS A 47 -14.335 1.268 -2.655 1.00 0.00 C ATOM 763 CG LYS A 47 -15.770 0.746 -2.554 1.00 0.00 C ATOM 764 CD LYS A 47 -15.938 -0.037 -1.251 1.00 0.00 C ATOM 765 CE LYS A 47 -17.406 -0.008 -0.822 1.00 0.00 C ATOM 766 NZ LYS A 47 -18.102 -0.921 -1.771 1.00 0.00 N ATOM 0 H LYS A 47 -12.175 2.301 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.380 1.246 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.629 0.448 -2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.141 1.985 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.474 1.578 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.996 0.106 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.609 -1.067 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.312 0.396 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.523 -0.345 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.813 1.002 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.783 -0.378 -2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.404 -1.366 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.606 -1.658 -1.237 1.00 0.00 H new ATOM 780 N GLU A 48 -14.562 4.345 -3.753 1.00 0.00 N ATOM 781 CA GLU A 48 -15.439 5.562 -3.881 1.00 0.00 C ATOM 782 C GLU A 48 -15.868 5.745 -5.351 1.00 0.00 C ATOM 783 O GLU A 48 -15.041 5.668 -6.234 1.00 0.00 O ATOM 784 CB GLU A 48 -14.603 6.768 -3.420 1.00 0.00 C ATOM 785 CG GLU A 48 -14.808 6.988 -1.919 1.00 0.00 C ATOM 786 CD GLU A 48 -14.741 8.484 -1.608 1.00 0.00 C ATOM 787 OE1 GLU A 48 -15.521 9.224 -2.184 1.00 0.00 O ATOM 788 OE2 GLU A 48 -13.911 8.864 -0.799 1.00 0.00 O ATOM 0 H GLU A 48 -13.640 4.507 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.341 5.462 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.548 6.595 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.897 7.660 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.772 6.585 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.043 6.454 -1.355 1.00 0.00 H new ATOM 795 N PRO A 49 -17.145 5.975 -5.579 1.00 0.00 N ATOM 796 CA PRO A 49 -17.638 6.153 -6.972 1.00 0.00 C ATOM 797 C PRO A 49 -17.164 7.490 -7.569 1.00 0.00 C ATOM 798 O PRO A 49 -16.920 7.580 -8.758 1.00 0.00 O ATOM 799 CB PRO A 49 -19.156 6.133 -6.824 1.00 0.00 C ATOM 800 CG PRO A 49 -19.410 6.561 -5.417 1.00 0.00 C ATOM 801 CD PRO A 49 -18.237 6.093 -4.597 1.00 0.00 C ATOM 0 HA PRO A 49 -17.265 5.383 -7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.631 6.809 -7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.558 5.138 -7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.516 7.644 -5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.339 6.129 -5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.991 6.805 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.443 5.139 -4.112 1.00 0.00 H new ATOM 809 N LYS A 50 -17.009 8.525 -6.765 1.00 0.00 N ATOM 810 CA LYS A 50 -16.525 9.835 -7.327 1.00 0.00 C ATOM 811 C LYS A 50 -15.003 9.773 -7.529 1.00 0.00 C ATOM 812 O LYS A 50 -14.475 10.343 -8.465 1.00 0.00 O ATOM 813 CB LYS A 50 -16.886 10.919 -6.298 1.00 0.00 C ATOM 814 CG LYS A 50 -18.344 11.341 -6.492 1.00 0.00 C ATOM 815 CD LYS A 50 -18.918 11.822 -5.157 1.00 0.00 C ATOM 816 CE LYS A 50 -20.429 12.017 -5.291 1.00 0.00 C ATOM 817 NZ LYS A 50 -20.970 11.774 -3.925 1.00 0.00 N ATOM 0 H LYS A 50 -17.193 8.520 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.985 10.053 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.737 10.540 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.228 11.780 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.408 12.136 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.929 10.503 -6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.703 11.095 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.445 12.758 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.668 13.022 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.855 11.321 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.004 11.889 -3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.733 10.807 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.552 12.456 -3.260 1.00 0.00 H new ATOM 831 N MET A 51 -14.291 9.069 -6.668 1.00 0.00 N ATOM 832 CA MET A 51 -12.805 8.962 -6.833 1.00 0.00 C ATOM 833 C MET A 51 -12.442 7.765 -7.737 1.00 0.00 C ATOM 834 O MET A 51 -11.424 7.788 -8.405 1.00 0.00 O ATOM 835 CB MET A 51 -12.245 8.765 -5.416 1.00 0.00 C ATOM 836 CG MET A 51 -10.724 8.674 -5.472 1.00 0.00 C ATOM 837 SD MET A 51 -10.036 10.268 -5.987 1.00 0.00 S ATOM 838 CE MET A 51 -8.345 9.698 -6.288 1.00 0.00 C ATOM 0 H MET A 51 -14.676 8.570 -5.866 1.00 0.00 H new ATOM 0 HA MET A 51 -12.388 9.849 -7.309 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.546 9.595 -4.777 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.657 7.858 -4.975 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.330 8.396 -4.494 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.422 7.894 -6.171 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.644 10.346 -5.762 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.236 8.676 -5.926 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.135 9.729 -7.357 1.00 0.00 H new ATOM 848 N ALA A 52 -13.253 6.719 -7.775 1.00 0.00 N ATOM 849 CA ALA A 52 -12.914 5.541 -8.656 1.00 0.00 C ATOM 850 C ALA A 52 -12.762 5.998 -10.116 1.00 0.00 C ATOM 851 O ALA A 52 -11.879 5.543 -10.820 1.00 0.00 O ATOM 852 CB ALA A 52 -14.082 4.547 -8.537 1.00 0.00 C ATOM 0 H ALA A 52 -14.119 6.632 -7.244 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.974 5.083 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.882 3.675 -9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.190 4.235 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.003 5.026 -8.869 1.00 0.00 H new ATOM 858 N ALA A 53 -13.612 6.893 -10.578 1.00 0.00 N ATOM 859 CA ALA A 53 -13.492 7.365 -12.006 1.00 0.00 C ATOM 860 C ALA A 53 -12.114 8.009 -12.239 1.00 0.00 C ATOM 861 O ALA A 53 -11.517 7.831 -13.284 1.00 0.00 O ATOM 862 CB ALA A 53 -14.602 8.406 -12.225 1.00 0.00 C ATOM 0 H ALA A 53 -14.371 7.312 -10.041 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.592 6.531 -12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.555 8.778 -13.248 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.574 7.944 -12.051 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.465 9.235 -11.531 1.00 0.00 H new ATOM 868 N SER A 54 -11.600 8.754 -11.279 1.00 0.00 N ATOM 869 CA SER A 54 -10.252 9.399 -11.479 1.00 0.00 C ATOM 870 C SER A 54 -9.142 8.335 -11.453 1.00 0.00 C ATOM 871 O SER A 54 -8.277 8.324 -12.308 1.00 0.00 O ATOM 872 CB SER A 54 -10.059 10.392 -10.323 1.00 0.00 C ATOM 873 OG SER A 54 -11.083 11.377 -10.374 1.00 0.00 O ATOM 0 H SER A 54 -12.046 8.941 -10.381 1.00 0.00 H new ATOM 0 HA SER A 54 -10.202 9.905 -12.443 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.091 9.867 -9.368 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.080 10.865 -10.394 1.00 0.00 H new ATOM 0 HG SER A 54 -10.964 12.011 -9.637 1.00 0.00 H new ATOM 879 N LEU A 55 -9.156 7.442 -10.485 1.00 0.00 N ATOM 880 CA LEU A 55 -8.078 6.386 -10.436 1.00 0.00 C ATOM 881 C LEU A 55 -8.201 5.412 -11.625 1.00 0.00 C ATOM 882 O LEU A 55 -7.213 4.855 -12.067 1.00 0.00 O ATOM 883 CB LEU A 55 -8.259 5.629 -9.110 1.00 0.00 C ATOM 884 CG LEU A 55 -7.699 6.472 -7.961 1.00 0.00 C ATOM 885 CD1 LEU A 55 -7.983 5.775 -6.630 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.187 6.636 -8.134 1.00 0.00 C ATOM 0 H LEU A 55 -9.851 7.395 -9.740 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.092 6.845 -10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.315 5.419 -8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.746 4.668 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.175 7.453 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.584 6.376 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.059 5.658 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.508 4.794 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.790 7.236 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.712 5.655 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.981 7.134 -9.082 1.00 0.00 H new ATOM 898 N LEU A 56 -9.394 5.196 -12.151 1.00 0.00 N ATOM 899 CA LEU A 56 -9.537 4.248 -13.311 1.00 0.00 C ATOM 900 C LEU A 56 -9.573 4.995 -14.663 1.00 0.00 C ATOM 901 O LEU A 56 -9.277 4.411 -15.688 1.00 0.00 O ATOM 902 CB LEU A 56 -10.861 3.505 -13.080 1.00 0.00 C ATOM 903 CG LEU A 56 -11.064 2.460 -14.181 1.00 0.00 C ATOM 904 CD1 LEU A 56 -11.775 1.236 -13.600 1.00 0.00 C ATOM 905 CD2 LEU A 56 -11.915 3.060 -15.306 1.00 0.00 C ATOM 0 H LEU A 56 -10.261 5.629 -11.832 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.685 3.570 -13.361 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.852 3.021 -12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.691 4.212 -13.078 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.095 2.161 -14.579 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.919 0.493 -14.384 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.169 0.808 -12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.744 1.534 -13.200 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.059 2.316 -16.089 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.884 3.361 -14.908 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.407 3.931 -15.721 1.00 0.00 H new ATOM 917 N ASN A 57 -9.943 6.268 -14.695 1.00 0.00 N ATOM 918 CA ASN A 57 -9.998 6.999 -16.017 1.00 0.00 C ATOM 919 C ASN A 57 -8.678 6.845 -16.791 1.00 0.00 C ATOM 920 O ASN A 57 -7.623 6.763 -16.193 1.00 0.00 O ATOM 921 CB ASN A 57 -10.238 8.485 -15.697 1.00 0.00 C ATOM 922 CG ASN A 57 -11.733 8.805 -15.835 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.569 7.976 -15.535 1.00 0.00 O ATOM 924 ND2 ASN A 57 -12.112 9.979 -16.279 1.00 0.00 N ATOM 0 H ASN A 57 -10.204 6.821 -13.879 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.793 6.588 -16.640 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.899 8.709 -14.685 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.657 9.112 -16.374 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.105 10.193 -16.371 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.414 10.678 -16.532 1.00 0.00 H new ATOM 931 N PRO A 58 -8.773 6.831 -18.109 1.00 0.00 N ATOM 932 CA PRO A 58 -7.555 6.713 -18.949 1.00 0.00 C ATOM 933 C PRO A 58 -6.820 8.071 -19.091 1.00 0.00 C ATOM 934 O PRO A 58 -5.790 8.142 -19.735 1.00 0.00 O ATOM 935 CB PRO A 58 -8.096 6.259 -20.301 1.00 0.00 C ATOM 936 CG PRO A 58 -9.514 6.739 -20.348 1.00 0.00 C ATOM 937 CD PRO A 58 -9.993 6.915 -18.929 1.00 0.00 C ATOM 0 HA PRO A 58 -6.824 6.028 -18.520 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.512 6.681 -21.119 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.046 5.175 -20.400 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.580 7.681 -20.892 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.142 6.022 -20.876 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.494 7.874 -18.796 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.709 6.141 -18.654 1.00 0.00 H new ATOM 945 N TYR A 59 -7.322 9.145 -18.501 1.00 0.00 N ATOM 946 CA TYR A 59 -6.623 10.467 -18.623 1.00 0.00 C ATOM 947 C TYR A 59 -5.608 10.635 -17.480 1.00 0.00 C ATOM 948 O TYR A 59 -4.545 11.195 -17.675 1.00 0.00 O ATOM 949 CB TYR A 59 -7.726 11.534 -18.526 1.00 0.00 C ATOM 950 CG TYR A 59 -8.706 11.338 -19.660 1.00 0.00 C ATOM 951 CD1 TYR A 59 -8.492 11.975 -20.888 1.00 0.00 C ATOM 952 CD2 TYR A 59 -9.822 10.509 -19.487 1.00 0.00 C ATOM 953 CE1 TYR A 59 -9.396 11.787 -21.941 1.00 0.00 C ATOM 954 CE2 TYR A 59 -10.723 10.319 -20.540 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.511 10.959 -21.767 1.00 0.00 C ATOM 956 OH TYR A 59 -11.400 10.771 -22.806 1.00 0.00 O ATOM 0 H TYR A 59 -8.178 9.157 -17.947 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.071 10.549 -19.559 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.240 11.457 -17.568 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.289 12.532 -18.575 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.630 12.611 -21.023 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.987 10.016 -18.540 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.233 12.281 -22.887 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.582 9.679 -20.406 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.116 10.167 -22.518 1.00 0.00 H new ATOM 966 N VAL A 60 -5.914 10.148 -16.288 1.00 0.00 N ATOM 967 CA VAL A 60 -4.927 10.293 -15.154 1.00 0.00 C ATOM 968 C VAL A 60 -3.574 9.638 -15.519 1.00 0.00 C ATOM 969 O VAL A 60 -2.546 10.018 -14.993 1.00 0.00 O ATOM 970 CB VAL A 60 -5.551 9.598 -13.927 1.00 0.00 C ATOM 971 CG1 VAL A 60 -4.595 9.690 -12.734 1.00 0.00 C ATOM 972 CG2 VAL A 60 -6.865 10.296 -13.567 1.00 0.00 C ATOM 0 H VAL A 60 -6.783 9.668 -16.055 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.728 11.345 -14.947 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.736 8.550 -14.164 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.042 9.197 -11.871 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.653 9.201 -12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.408 10.737 -12.497 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.310 9.808 -12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.669 11.343 -13.334 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.553 10.235 -14.411 1.00 0.00 H new ATOM 982 N LYS A 61 -3.553 8.658 -16.414 1.00 0.00 N ATOM 983 CA LYS A 61 -2.258 7.999 -16.798 1.00 0.00 C ATOM 984 C LYS A 61 -1.604 7.341 -15.573 1.00 0.00 C ATOM 985 O LYS A 61 -2.168 7.335 -14.495 1.00 0.00 O ATOM 986 CB LYS A 61 -1.362 9.117 -17.358 1.00 0.00 C ATOM 987 CG LYS A 61 -0.699 8.648 -18.656 1.00 0.00 C ATOM 988 CD LYS A 61 -0.264 9.866 -19.475 1.00 0.00 C ATOM 989 CE LYS A 61 -1.383 10.263 -20.441 1.00 0.00 C ATOM 990 NZ LYS A 61 -0.983 9.683 -21.752 1.00 0.00 N ATOM 0 H LYS A 61 -4.378 8.293 -16.889 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.415 7.211 -17.534 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.955 10.012 -17.545 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.600 9.386 -16.626 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.164 8.021 -18.431 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.394 8.038 -19.233 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.031 10.699 -18.811 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.645 9.637 -20.031 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.346 9.871 -20.113 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.485 11.346 -20.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.702 9.913 -22.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.067 10.080 -22.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.900 8.650 -21.664 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.416 6.787 -15.728 1.00 0.00 N ATOM 1005 CA ARG A 62 0.262 6.133 -14.563 1.00 0.00 C ATOM 1006 C ARG A 62 1.384 7.036 -14.032 1.00 0.00 C ATOM 1007 O ARG A 62 1.418 7.355 -12.858 1.00 0.00 O ATOM 1008 CB ARG A 62 0.838 4.818 -15.102 1.00 0.00 C ATOM 1009 CG ARG A 62 1.410 3.998 -13.943 1.00 0.00 C ATOM 1010 CD ARG A 62 2.907 4.284 -13.803 1.00 0.00 C ATOM 1011 NE ARG A 62 3.579 3.187 -14.553 1.00 0.00 N ATOM 1012 CZ ARG A 62 3.798 3.310 -15.833 1.00 0.00 C ATOM 1013 NH1 ARG A 62 2.866 2.991 -16.689 1.00 0.00 N ATOM 1014 NH2 ARG A 62 4.951 3.753 -16.258 1.00 0.00 N ATOM 0 H ARG A 62 0.105 6.762 -16.604 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.427 5.957 -13.737 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.061 4.251 -15.614 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.618 5.024 -15.835 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.893 4.249 -13.017 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.247 2.935 -14.121 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.163 5.260 -14.216 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.212 4.291 -12.756 1.00 0.00 H new ATOM 0 HE ARG A 62 3.868 2.339 -14.066 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.966 2.645 -16.357 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.038 3.087 -17.690 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.679 4.002 -15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.123 3.849 -17.259 1.00 0.00 H new ATOM 1028 N SER A 63 2.302 7.461 -14.881 1.00 0.00 N ATOM 1029 CA SER A 63 3.414 8.357 -14.389 1.00 0.00 C ATOM 1030 C SER A 63 2.814 9.624 -13.761 1.00 0.00 C ATOM 1031 O SER A 63 3.263 10.075 -12.723 1.00 0.00 O ATOM 1032 CB SER A 63 4.267 8.724 -15.613 1.00 0.00 C ATOM 1033 OG SER A 63 5.286 9.633 -15.217 1.00 0.00 O ATOM 0 H SER A 63 2.331 7.232 -15.875 1.00 0.00 H new ATOM 0 HA SER A 63 4.020 7.858 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.711 7.827 -16.044 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.642 9.173 -16.385 1.00 0.00 H new ATOM 0 HG SER A 63 5.834 9.869 -15.994 1.00 0.00 H new ATOM 1039 N VAL A 64 1.788 10.191 -14.365 1.00 0.00 N ATOM 1040 CA VAL A 64 1.158 11.419 -13.765 1.00 0.00 C ATOM 1041 C VAL A 64 0.475 11.033 -12.443 1.00 0.00 C ATOM 1042 O VAL A 64 0.562 11.753 -11.466 1.00 0.00 O ATOM 1043 CB VAL A 64 0.123 11.931 -14.782 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -0.566 13.182 -14.233 1.00 0.00 C ATOM 1045 CG2 VAL A 64 0.828 12.276 -16.097 1.00 0.00 C ATOM 0 H VAL A 64 1.366 9.863 -15.233 1.00 0.00 H new ATOM 0 HA VAL A 64 1.895 12.194 -13.554 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.623 11.156 -14.958 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.298 13.541 -14.956 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.069 12.939 -13.297 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.178 13.958 -14.054 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.096 12.639 -16.818 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.575 13.050 -15.918 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.316 11.385 -16.493 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.196 9.896 -12.399 1.00 0.00 N ATOM 1056 CA LYS A 65 -0.868 9.477 -11.117 1.00 0.00 C ATOM 1057 C LYS A 65 0.171 9.352 -9.988 1.00 0.00 C ATOM 1058 O LYS A 65 -0.121 9.658 -8.847 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.521 8.111 -11.381 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.441 7.753 -10.213 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.099 6.396 -10.475 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.176 6.548 -11.551 1.00 0.00 C ATOM 1063 NZ LYS A 65 -4.193 5.241 -12.263 1.00 0.00 N ATOM 0 H LYS A 65 -0.306 9.251 -13.181 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.609 10.214 -10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.090 8.141 -12.310 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.754 7.346 -11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.871 7.719 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.205 8.521 -10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.349 5.673 -10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.541 6.011 -9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.147 6.770 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.941 7.366 -12.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.822 5.366 -13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.600 4.558 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.169 4.885 -12.311 1.00 0.00 H new ATOM 1077 N VAL A 66 1.383 8.910 -10.288 1.00 0.00 N ATOM 1078 CA VAL A 66 2.418 8.784 -9.194 1.00 0.00 C ATOM 1079 C VAL A 66 2.639 10.156 -8.536 1.00 0.00 C ATOM 1080 O VAL A 66 2.726 10.255 -7.327 1.00 0.00 O ATOM 1081 CB VAL A 66 3.717 8.286 -9.857 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.820 8.155 -8.801 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.470 6.917 -10.498 1.00 0.00 C ATOM 0 H VAL A 66 1.694 8.637 -11.220 1.00 0.00 H new ATOM 0 HA VAL A 66 2.096 8.088 -8.419 1.00 0.00 H new ATOM 0 HB VAL A 66 4.027 9.000 -10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.737 7.803 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.000 9.126 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.509 7.443 -8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.388 6.564 -10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.158 6.207 -9.732 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.688 7.004 -11.252 1.00 0.00 H new ATOM 1093 N LYS A 67 2.710 11.217 -9.317 1.00 0.00 N ATOM 1094 CA LYS A 67 2.902 12.574 -8.696 1.00 0.00 C ATOM 1095 C LYS A 67 1.614 12.974 -7.967 1.00 0.00 C ATOM 1096 O LYS A 67 1.656 13.479 -6.861 1.00 0.00 O ATOM 1097 CB LYS A 67 3.200 13.554 -9.842 1.00 0.00 C ATOM 1098 CG LYS A 67 3.874 14.808 -9.282 1.00 0.00 C ATOM 1099 CD LYS A 67 3.519 16.013 -10.155 1.00 0.00 C ATOM 1100 CE LYS A 67 3.423 17.266 -9.282 1.00 0.00 C ATOM 1101 NZ LYS A 67 2.317 18.065 -9.878 1.00 0.00 N ATOM 0 H LYS A 67 2.645 11.204 -10.335 1.00 0.00 H new ATOM 0 HA LYS A 67 3.719 12.578 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.847 13.080 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.276 13.823 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.549 14.981 -8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.955 14.671 -9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.276 16.152 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.572 15.839 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.210 17.009 -8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.360 17.823 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.190 18.942 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.551 18.300 -10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.437 17.512 -9.854 1.00 0.00 H new ATOM 1115 N SER A 68 0.463 12.731 -8.567 1.00 0.00 N ATOM 1116 CA SER A 68 -0.824 13.086 -7.871 1.00 0.00 C ATOM 1117 C SER A 68 -0.950 12.274 -6.571 1.00 0.00 C ATOM 1118 O SER A 68 -1.439 12.774 -5.576 1.00 0.00 O ATOM 1119 CB SER A 68 -1.967 12.726 -8.833 1.00 0.00 C ATOM 1120 OG SER A 68 -3.175 13.314 -8.369 1.00 0.00 O ATOM 0 H SER A 68 0.361 12.310 -9.491 1.00 0.00 H new ATOM 0 HA SER A 68 -0.855 14.145 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.738 13.082 -9.837 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.077 11.643 -8.896 1.00 0.00 H new ATOM 0 HG SER A 68 -3.906 13.087 -8.982 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.508 11.026 -6.563 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.613 10.211 -5.298 1.00 0.00 C ATOM 1128 C LEU A 69 0.195 10.889 -4.182 1.00 0.00 C ATOM 1129 O LEU A 69 -0.282 11.037 -3.072 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.033 8.818 -5.605 1.00 0.00 C ATOM 1131 CG LEU A 69 -0.843 7.754 -4.864 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -2.267 7.713 -5.424 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -0.182 6.387 -5.055 1.00 0.00 C ATOM 0 H LEU A 69 -0.088 10.547 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.648 10.129 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.061 8.629 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.012 8.772 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.877 7.998 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.844 6.954 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.739 8.686 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.234 7.469 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.758 5.627 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.148 6.144 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.832 6.415 -4.657 1.00 0.00 H new ATOM 1145 N SER A 70 1.413 11.314 -4.465 1.00 0.00 N ATOM 1146 CA SER A 70 2.229 11.995 -3.396 1.00 0.00 C ATOM 1147 C SER A 70 1.510 13.274 -2.935 1.00 0.00 C ATOM 1148 O SER A 70 1.464 13.569 -1.756 1.00 0.00 O ATOM 1149 CB SER A 70 3.586 12.347 -4.025 1.00 0.00 C ATOM 1150 OG SER A 70 3.424 13.451 -4.909 1.00 0.00 O ATOM 0 H SER A 70 1.870 11.221 -5.372 1.00 0.00 H new ATOM 0 HA SER A 70 2.362 11.349 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.308 12.593 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.982 11.488 -4.567 1.00 0.00 H new ATOM 0 HG SER A 70 2.929 13.163 -5.704 1.00 0.00 H new ATOM 1156 N ASP A 71 0.935 14.028 -3.853 1.00 0.00 N ATOM 1157 CA ASP A 71 0.206 15.282 -3.436 1.00 0.00 C ATOM 1158 C ASP A 71 -1.073 14.945 -2.641 1.00 0.00 C ATOM 1159 O ASP A 71 -1.595 15.793 -1.939 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.154 16.036 -4.726 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.109 17.542 -4.466 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.090 18.068 -3.964 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.906 18.146 -4.773 1.00 0.00 O ATOM 0 H ASP A 71 0.937 13.835 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 71 0.835 15.888 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.544 15.772 -5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.148 15.744 -5.065 1.00 0.00 H new ATOM 1168 N MET A 72 -1.573 13.721 -2.706 1.00 0.00 N ATOM 1169 CA MET A 72 -2.794 13.376 -1.904 1.00 0.00 C ATOM 1170 C MET A 72 -2.319 12.912 -0.527 1.00 0.00 C ATOM 1171 O MET A 72 -2.831 13.336 0.492 1.00 0.00 O ATOM 1172 CB MET A 72 -3.506 12.237 -2.649 1.00 0.00 C ATOM 1173 CG MET A 72 -4.909 12.045 -2.070 1.00 0.00 C ATOM 1174 SD MET A 72 -5.562 10.440 -2.590 1.00 0.00 S ATOM 1175 CE MET A 72 -4.511 9.414 -1.533 1.00 0.00 C ATOM 0 H MET A 72 -1.192 12.962 -3.271 1.00 0.00 H new ATOM 0 HA MET A 72 -3.476 14.217 -1.782 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.569 12.468 -3.712 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.934 11.314 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.876 12.101 -0.982 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.567 12.845 -2.410 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.888 8.771 -2.154 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.875 10.054 -0.921 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.136 8.798 -0.886 1.00 0.00 H new ATOM 1185 N THR A 73 -1.305 12.069 -0.490 1.00 0.00 N ATOM 1186 CA THR A 73 -0.753 11.607 0.831 1.00 0.00 C ATOM 1187 C THR A 73 -0.348 12.847 1.670 1.00 0.00 C ATOM 1188 O THR A 73 -0.531 12.865 2.873 1.00 0.00 O ATOM 1189 CB THR A 73 0.465 10.706 0.473 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.010 9.379 0.252 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.509 10.693 1.590 1.00 0.00 C ATOM 0 H THR A 73 -0.840 11.684 -1.312 1.00 0.00 H new ATOM 0 HA THR A 73 -1.470 11.048 1.432 1.00 0.00 H new ATOM 0 HB THR A 73 0.933 11.112 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.717 8.746 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.343 10.053 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.872 11.707 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.058 10.310 2.505 1.00 0.00 H new ATOM 1199 N ALA A 74 0.189 13.885 1.046 1.00 0.00 N ATOM 1200 CA ALA A 74 0.581 15.109 1.839 1.00 0.00 C ATOM 1201 C ALA A 74 -0.655 15.683 2.555 1.00 0.00 C ATOM 1202 O ALA A 74 -0.571 16.106 3.693 1.00 0.00 O ATOM 1203 CB ALA A 74 1.130 16.134 0.833 1.00 0.00 C ATOM 0 H ALA A 74 0.369 13.937 0.043 1.00 0.00 H new ATOM 0 HA ALA A 74 1.328 14.867 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.428 17.039 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.994 15.713 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.358 16.377 0.103 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.805 15.686 1.908 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.041 16.221 2.579 1.00 0.00 C ATOM 1211 C LYS A 75 -3.721 15.113 3.405 1.00 0.00 C ATOM 1212 O LYS A 75 -4.300 15.382 4.441 1.00 0.00 O ATOM 1213 CB LYS A 75 -3.974 16.697 1.455 1.00 0.00 C ATOM 1214 CG LYS A 75 -3.308 17.839 0.687 1.00 0.00 C ATOM 1215 CD LYS A 75 -4.114 18.144 -0.577 1.00 0.00 C ATOM 1216 CE LYS A 75 -5.390 18.901 -0.200 1.00 0.00 C ATOM 1217 NZ LYS A 75 -6.411 18.451 -1.188 1.00 0.00 N ATOM 0 H LYS A 75 -1.939 15.345 0.956 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.799 17.036 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.197 15.871 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.923 17.031 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.248 18.727 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.286 17.566 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.516 18.739 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.367 17.217 -1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.699 18.671 0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.239 19.979 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.315 18.927 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.093 18.690 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.539 17.422 -1.111 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.651 13.866 2.968 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.298 12.758 3.763 1.00 0.00 C ATOM 1233 C GLU A 76 -3.582 12.527 5.112 1.00 0.00 C ATOM 1234 O GLU A 76 -4.117 11.857 5.975 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.210 11.489 2.900 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.393 11.445 1.931 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.591 10.785 2.618 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.901 11.177 3.730 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.176 9.897 2.019 1.00 0.00 O ATOM 0 H GLU A 76 -3.182 13.572 2.111 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.330 13.020 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.272 11.479 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.214 10.604 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.654 12.454 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.122 10.888 1.034 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.378 13.051 5.315 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.660 12.829 6.613 1.00 0.00 C ATOM 1248 C LYS A 77 -1.499 11.323 6.868 1.00 0.00 C ATOM 1249 O LYS A 77 -1.785 10.839 7.947 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.522 13.483 7.702 1.00 0.00 C ATOM 1251 CG LYS A 77 -2.073 14.932 7.904 1.00 0.00 C ATOM 1252 CD LYS A 77 -1.002 14.990 8.995 1.00 0.00 C ATOM 1253 CE LYS A 77 -0.744 16.448 9.380 1.00 0.00 C ATOM 1254 NZ LYS A 77 -0.550 16.427 10.856 1.00 0.00 N ATOM 0 H LYS A 77 -1.872 13.619 4.635 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.660 13.263 6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.573 13.453 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.430 12.929 8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.678 15.334 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.925 15.552 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.326 14.424 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.081 14.528 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.137 16.841 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.584 17.085 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.368 17.393 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.407 16.055 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.260 15.819 11.091 1.00 0.00 H new ATOM 1268 N PHE A 78 -1.050 10.578 5.875 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.875 9.090 6.071 1.00 0.00 C ATOM 1270 C PHE A 78 0.057 8.810 7.259 1.00 0.00 C ATOM 1271 O PHE A 78 0.414 9.712 7.995 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.286 8.523 4.760 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.389 7.825 3.997 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -2.109 6.794 4.612 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.708 8.223 2.694 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -3.149 6.159 3.923 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.745 7.584 2.002 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.466 6.552 2.618 1.00 0.00 C ATOM 0 H PHE A 78 -0.800 10.928 4.950 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.829 8.614 6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.140 9.326 4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.522 7.825 4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.862 6.488 5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.155 9.022 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.707 5.366 4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.989 7.886 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.266 6.060 2.085 1.00 0.00 H new ATOM 1288 N SER A 79 0.458 7.572 7.456 1.00 0.00 N ATOM 1289 CA SER A 79 1.357 7.254 8.597 1.00 0.00 C ATOM 1290 C SER A 79 2.784 7.113 8.076 1.00 0.00 C ATOM 1291 O SER A 79 3.010 7.260 6.890 1.00 0.00 O ATOM 1292 CB SER A 79 0.840 5.925 9.172 1.00 0.00 C ATOM 1293 OG SER A 79 0.314 6.151 10.473 1.00 0.00 O ATOM 0 H SER A 79 0.198 6.776 6.873 1.00 0.00 H new ATOM 0 HA SER A 79 1.363 8.029 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.070 5.509 8.523 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.648 5.195 9.215 1.00 0.00 H new ATOM 0 HG SER A 79 -0.648 5.962 10.475 1.00 0.00 H new ATOM 1299 N PRO A 80 3.712 6.825 8.957 1.00 0.00 N ATOM 1300 CA PRO A 80 5.114 6.665 8.515 1.00 0.00 C ATOM 1301 C PRO A 80 5.293 5.434 7.606 1.00 0.00 C ATOM 1302 O PRO A 80 6.293 5.328 6.920 1.00 0.00 O ATOM 1303 CB PRO A 80 5.888 6.520 9.815 1.00 0.00 C ATOM 1304 CG PRO A 80 4.893 6.018 10.804 1.00 0.00 C ATOM 1305 CD PRO A 80 3.574 6.623 10.414 1.00 0.00 C ATOM 0 HA PRO A 80 5.459 7.505 7.912 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.719 5.824 9.704 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.311 7.474 10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.842 4.929 10.787 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.170 6.309 11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.741 5.961 10.651 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.392 7.563 10.935 1.00 0.00 H new ATOM 1313 N LEU A 81 4.343 4.513 7.563 1.00 0.00 N ATOM 1314 CA LEU A 81 4.505 3.338 6.665 1.00 0.00 C ATOM 1315 C LEU A 81 3.443 3.360 5.560 1.00 0.00 C ATOM 1316 O LEU A 81 3.071 2.319 5.048 1.00 0.00 O ATOM 1317 CB LEU A 81 4.312 2.116 7.562 1.00 0.00 C ATOM 1318 CG LEU A 81 5.685 1.613 8.039 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.627 1.280 9.529 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.077 0.356 7.258 1.00 0.00 C ATOM 0 H LEU A 81 3.480 4.534 8.107 1.00 0.00 H new ATOM 0 HA LEU A 81 5.478 3.333 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.689 2.374 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.793 1.328 7.016 1.00 0.00 H new ATOM 0 HG LEU A 81 6.425 2.395 7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.603 0.924 9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.356 2.174 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.881 0.504 9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.050 0.004 7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.331 -0.422 7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.129 0.590 6.195 1.00 0.00 H new ATOM 1332 N THR A 82 2.940 4.524 5.177 1.00 0.00 N ATOM 1333 CA THR A 82 1.908 4.551 4.106 1.00 0.00 C ATOM 1334 C THR A 82 2.173 5.649 3.057 1.00 0.00 C ATOM 1335 O THR A 82 1.275 6.017 2.321 1.00 0.00 O ATOM 1336 CB THR A 82 0.573 4.779 4.830 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.673 4.334 6.191 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.525 3.992 4.094 1.00 0.00 C ATOM 0 H THR A 82 3.202 5.433 5.559 1.00 0.00 H new ATOM 0 HA THR A 82 1.912 3.619 3.541 1.00 0.00 H new ATOM 0 HB THR A 82 0.326 5.841 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.265 3.447 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.480 4.144 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.597 4.343 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.277 2.931 4.099 1.00 0.00 H new ATOM 1346 N SER A 83 3.393 6.142 2.930 1.00 0.00 N ATOM 1347 CA SER A 83 3.672 7.162 1.873 1.00 0.00 C ATOM 1348 C SER A 83 4.827 6.662 0.983 1.00 0.00 C ATOM 1349 O SER A 83 5.638 7.426 0.498 1.00 0.00 O ATOM 1350 CB SER A 83 4.045 8.446 2.610 1.00 0.00 C ATOM 1351 OG SER A 83 4.648 9.355 1.699 1.00 0.00 O ATOM 0 H SER A 83 4.192 5.882 3.508 1.00 0.00 H new ATOM 0 HA SER A 83 2.815 7.338 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.156 8.895 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.732 8.223 3.427 1.00 0.00 H new ATOM 0 HG SER A 83 5.365 8.900 1.210 1.00 0.00 H new ATOM 1357 N ASN A 84 4.868 5.374 0.751 1.00 0.00 N ATOM 1358 CA ASN A 84 5.913 4.755 -0.125 1.00 0.00 C ATOM 1359 C ASN A 84 5.225 3.591 -0.835 1.00 0.00 C ATOM 1360 O ASN A 84 5.061 3.595 -2.040 1.00 0.00 O ATOM 1361 CB ASN A 84 7.013 4.262 0.819 1.00 0.00 C ATOM 1362 CG ASN A 84 8.264 5.135 0.651 1.00 0.00 C ATOM 1363 OD1 ASN A 84 9.109 4.847 -0.172 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.424 6.198 1.402 1.00 0.00 N ATOM 0 H ASN A 84 4.203 4.707 1.143 1.00 0.00 H new ATOM 0 HA ASN A 84 6.345 5.429 -0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.665 4.302 1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.252 3.221 0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.255 6.779 1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.717 6.444 2.095 1.00 0.00 H new ATOM 1371 N LEU A 85 4.725 2.633 -0.068 1.00 0.00 N ATOM 1372 CA LEU A 85 3.938 1.524 -0.691 1.00 0.00 C ATOM 1373 C LEU A 85 2.750 2.150 -1.464 1.00 0.00 C ATOM 1374 O LEU A 85 2.289 1.587 -2.440 1.00 0.00 O ATOM 1375 CB LEU A 85 3.441 0.633 0.472 1.00 0.00 C ATOM 1376 CG LEU A 85 2.456 -0.423 -0.044 1.00 0.00 C ATOM 1377 CD1 LEU A 85 3.164 -1.345 -1.039 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.937 -1.252 1.134 1.00 0.00 C ATOM 0 H LEU A 85 4.831 2.579 0.945 1.00 0.00 H new ATOM 0 HA LEU A 85 4.525 0.929 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.289 0.144 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.958 1.250 1.230 1.00 0.00 H new ATOM 0 HG LEU A 85 1.622 0.073 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.462 -2.094 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.536 -0.757 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.999 -1.841 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.237 -2.003 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.774 -1.745 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.431 -0.598 1.844 1.00 0.00 H new ATOM 1390 N ILE A 86 2.257 3.327 -1.055 1.00 0.00 N ATOM 1391 CA ILE A 86 1.121 3.951 -1.818 1.00 0.00 C ATOM 1392 C ILE A 86 1.528 4.138 -3.293 1.00 0.00 C ATOM 1393 O ILE A 86 0.722 3.944 -4.184 1.00 0.00 O ATOM 1394 CB ILE A 86 0.807 5.311 -1.156 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.428 5.923 -1.826 1.00 0.00 C ATOM 1396 CG2 ILE A 86 1.993 6.277 -1.303 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.285 6.630 -0.776 1.00 0.00 C ATOM 0 H ILE A 86 2.590 3.856 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 86 0.236 3.315 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 86 0.620 5.148 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.123 6.630 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.009 5.144 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.749 7.228 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.873 5.848 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.200 6.441 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.163 7.064 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.602 5.911 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.702 7.420 -0.302 1.00 0.00 H new ATOM 1409 N ASN A 87 2.774 4.492 -3.560 1.00 0.00 N ATOM 1410 CA ASN A 87 3.199 4.655 -4.994 1.00 0.00 C ATOM 1411 C ASN A 87 3.135 3.285 -5.682 1.00 0.00 C ATOM 1412 O ASN A 87 2.584 3.154 -6.758 1.00 0.00 O ATOM 1413 CB ASN A 87 4.644 5.181 -4.978 1.00 0.00 C ATOM 1414 CG ASN A 87 4.631 6.708 -4.848 1.00 0.00 C ATOM 1415 OD1 ASN A 87 3.783 7.259 -4.173 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.538 7.427 -5.465 1.00 0.00 N ATOM 0 H ASN A 87 3.497 4.671 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 87 2.553 5.347 -5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.194 4.739 -4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.159 4.888 -5.893 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.530 8.443 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.252 6.970 -6.033 1.00 0.00 H new ATOM 1423 N LEU A 88 3.679 2.253 -5.058 1.00 0.00 N ATOM 1424 CA LEU A 88 3.631 0.874 -5.681 1.00 0.00 C ATOM 1425 C LEU A 88 2.188 0.530 -6.078 1.00 0.00 C ATOM 1426 O LEU A 88 1.949 -0.015 -7.140 1.00 0.00 O ATOM 1427 CB LEU A 88 4.120 -0.115 -4.609 1.00 0.00 C ATOM 1428 CG LEU A 88 5.610 -0.410 -4.817 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.312 -0.486 -3.460 1.00 0.00 C ATOM 1430 CD2 LEU A 88 5.769 -1.748 -5.546 1.00 0.00 C ATOM 0 H LEU A 88 4.149 2.303 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 88 4.252 0.828 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.958 0.302 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.545 -1.040 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 88 6.056 0.386 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.371 -0.696 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.200 0.465 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.865 -1.281 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.828 -1.958 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.321 -2.543 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.271 -1.696 -6.514 1.00 0.00 H new ATOM 1442 N LEU A 89 1.222 0.854 -5.240 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.206 0.547 -5.601 1.00 0.00 C ATOM 1444 C LEU A 89 -0.579 1.304 -6.883 1.00 0.00 C ATOM 1445 O LEU A 89 -1.248 0.771 -7.747 1.00 0.00 O ATOM 1446 CB LEU A 89 -1.078 1.014 -4.425 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.907 0.048 -3.251 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.714 0.555 -2.053 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.409 -1.343 -3.652 1.00 0.00 C ATOM 0 H LEU A 89 1.358 1.310 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.353 -0.518 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.793 2.023 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.124 1.055 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 89 0.148 -0.012 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.593 -0.132 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.356 1.544 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.768 0.615 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.286 -2.030 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.463 -1.285 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.835 -1.705 -4.505 1.00 0.00 H new ATOM 1461 N ALA A 90 -0.131 2.537 -7.027 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.447 3.299 -8.272 1.00 0.00 C ATOM 1463 C ALA A 90 0.804 3.397 -9.169 1.00 0.00 C ATOM 1464 O ALA A 90 0.953 4.347 -9.914 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.883 4.691 -7.801 1.00 0.00 C ATOM 0 H ALA A 90 0.433 3.038 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.225 2.813 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.131 5.307 -8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.758 4.600 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.070 5.158 -7.244 1.00 0.00 H new ATOM 1471 N GLU A 91 1.704 2.427 -9.113 1.00 0.00 N ATOM 1472 CA GLU A 91 2.929 2.497 -9.981 1.00 0.00 C ATOM 1473 C GLU A 91 2.785 1.553 -11.188 1.00 0.00 C ATOM 1474 O GLU A 91 3.054 1.941 -12.309 1.00 0.00 O ATOM 1475 CB GLU A 91 4.100 2.056 -9.092 1.00 0.00 C ATOM 1476 CG GLU A 91 5.407 2.127 -9.888 1.00 0.00 C ATOM 1477 CD GLU A 91 6.567 2.433 -8.939 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.674 1.758 -7.928 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.329 3.338 -9.238 1.00 0.00 O ATOM 0 H GLU A 91 1.641 1.605 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 91 3.083 3.501 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.163 2.697 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.935 1.040 -8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.584 1.182 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.337 2.899 -10.654 1.00 0.00 H new ATOM 1486 N ASN A 92 2.367 0.320 -10.975 1.00 0.00 N ATOM 1487 CA ASN A 92 2.220 -0.626 -12.130 1.00 0.00 C ATOM 1488 C ASN A 92 0.737 -0.929 -12.419 1.00 0.00 C ATOM 1489 O ASN A 92 0.414 -1.992 -12.917 1.00 0.00 O ATOM 1490 CB ASN A 92 2.947 -1.903 -11.696 1.00 0.00 C ATOM 1491 CG ASN A 92 3.550 -2.600 -12.922 1.00 0.00 C ATOM 1492 OD1 ASN A 92 3.133 -2.358 -14.038 1.00 0.00 O ATOM 1493 ND2 ASN A 92 4.521 -3.468 -12.767 1.00 0.00 N ATOM 0 H ASN A 92 2.125 -0.065 -10.062 1.00 0.00 H new ATOM 0 HA ASN A 92 2.633 -0.203 -13.046 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.733 -1.660 -10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.253 -2.574 -11.190 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.922 -3.936 -13.580 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.875 -3.675 -11.833 1.00 0.00 H new ATOM 1500 N GLY A 93 -0.171 -0.017 -12.120 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.612 -0.283 -12.392 1.00 0.00 C ATOM 1502 C GLY A 93 -2.157 -1.214 -11.307 1.00 0.00 C ATOM 1503 O GLY A 93 -2.753 -2.233 -11.605 1.00 0.00 O ATOM 0 H GLY A 93 0.032 0.891 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.172 0.652 -12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.732 -0.738 -13.375 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.957 -0.881 -10.047 1.00 0.00 N ATOM 1508 CA ARG A 94 -2.470 -1.766 -8.961 1.00 0.00 C ATOM 1509 C ARG A 94 -3.660 -1.111 -8.238 1.00 0.00 C ATOM 1510 O ARG A 94 -3.826 -1.280 -7.044 1.00 0.00 O ATOM 1511 CB ARG A 94 -1.292 -1.959 -7.998 1.00 0.00 C ATOM 1512 CG ARG A 94 -1.180 -3.435 -7.607 1.00 0.00 C ATOM 1513 CD ARG A 94 -0.385 -4.192 -8.674 1.00 0.00 C ATOM 1514 NE ARG A 94 -1.415 -4.870 -9.511 1.00 0.00 N ATOM 1515 CZ ARG A 94 -1.848 -6.055 -9.177 1.00 0.00 C ATOM 1516 NH1 ARG A 94 -1.034 -7.076 -9.195 1.00 0.00 N ATOM 1517 NH2 ARG A 94 -3.094 -6.220 -8.828 1.00 0.00 N ATOM 0 H ARG A 94 -1.466 -0.044 -9.734 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.830 -2.716 -9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.367 -1.627 -8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.434 -1.347 -7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.688 -3.528 -6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.174 -3.870 -7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.223 -3.512 -9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.295 -4.914 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.781 -4.409 -10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.060 -6.947 -9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.372 -8.002 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.730 -5.423 -8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.432 -7.146 -8.567 1.00 0.00 H new ATOM 1531 N LEU A 95 -4.507 -0.389 -8.947 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.692 0.238 -8.281 1.00 0.00 C ATOM 1533 C LEU A 95 -6.955 -0.543 -8.680 1.00 0.00 C ATOM 1534 O LEU A 95 -7.975 0.022 -9.022 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.741 1.684 -8.782 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.592 2.478 -8.154 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -4.337 3.742 -8.974 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.962 2.868 -6.720 1.00 0.00 C ATOM 0 H LEU A 95 -4.426 -0.211 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.627 0.219 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.662 1.707 -9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.697 2.139 -8.522 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.692 1.863 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.519 4.307 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.072 3.466 -9.995 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.238 4.356 -8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.144 3.433 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.863 3.481 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.143 1.967 -6.133 1.00 0.00 H new ATOM 1550 N THR A 96 -6.880 -1.851 -8.613 1.00 0.00 N ATOM 1551 CA THR A 96 -8.047 -2.720 -8.954 1.00 0.00 C ATOM 1552 C THR A 96 -8.212 -3.734 -7.818 1.00 0.00 C ATOM 1553 O THR A 96 -9.225 -3.762 -7.146 1.00 0.00 O ATOM 1554 CB THR A 96 -7.666 -3.417 -10.262 1.00 0.00 C ATOM 1555 OG1 THR A 96 -6.328 -3.885 -10.175 1.00 0.00 O ATOM 1556 CG2 THR A 96 -7.789 -2.430 -11.424 1.00 0.00 C ATOM 0 H THR A 96 -6.043 -2.360 -8.331 1.00 0.00 H new ATOM 0 HA THR A 96 -8.984 -2.175 -9.071 1.00 0.00 H new ATOM 0 HB THR A 96 -8.336 -4.260 -10.433 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.083 -4.333 -11.011 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.517 -2.928 -12.355 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.817 -2.072 -11.490 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.121 -1.585 -11.256 1.00 0.00 H new ATOM 1564 N ASN A 97 -7.184 -4.523 -7.551 1.00 0.00 N ATOM 1565 CA ASN A 97 -7.250 -5.475 -6.404 1.00 0.00 C ATOM 1566 C ASN A 97 -6.481 -4.877 -5.200 1.00 0.00 C ATOM 1567 O ASN A 97 -6.042 -5.600 -4.326 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.569 -6.759 -6.891 1.00 0.00 C ATOM 1569 CG ASN A 97 -7.378 -7.364 -8.045 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -8.268 -8.159 -7.821 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -7.108 -7.021 -9.281 1.00 0.00 N ATOM 0 H ASN A 97 -6.312 -4.541 -8.080 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.273 -5.669 -6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.553 -6.541 -7.221 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.492 -7.475 -6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.645 -7.422 -10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.361 -6.353 -9.473 1.00 0.00 H new ATOM 1578 N THR A 98 -6.307 -3.556 -5.145 1.00 0.00 N ATOM 1579 CA THR A 98 -5.564 -2.926 -3.997 1.00 0.00 C ATOM 1580 C THR A 98 -6.048 -3.452 -2.631 1.00 0.00 C ATOM 1581 O THR A 98 -5.230 -3.817 -1.809 1.00 0.00 O ATOM 1582 CB THR A 98 -5.815 -1.409 -4.104 1.00 0.00 C ATOM 1583 OG1 THR A 98 -6.331 -1.102 -5.393 1.00 0.00 O ATOM 1584 CG2 THR A 98 -4.503 -0.655 -3.894 1.00 0.00 C ATOM 0 H THR A 98 -6.649 -2.899 -5.846 1.00 0.00 H new ATOM 0 HA THR A 98 -4.504 -3.171 -4.056 1.00 0.00 H new ATOM 0 HB THR A 98 -6.533 -1.109 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.699 -0.194 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.683 0.417 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.104 -0.887 -2.906 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.784 -0.957 -4.655 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.349 -3.486 -2.411 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.862 -3.987 -1.109 1.00 0.00 C ATOM 1594 C PRO A 99 -7.506 -5.472 -0.923 1.00 0.00 C ATOM 1595 O PRO A 99 -7.236 -5.905 0.182 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.371 -3.758 -1.194 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.663 -3.709 -2.655 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.453 -3.090 -3.305 1.00 0.00 C ATOM 0 HA PRO A 99 -7.426 -3.479 -0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.922 -4.562 -0.707 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.659 -2.830 -0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.848 -4.708 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.557 -3.118 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.305 -3.464 -4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.544 -2.006 -3.376 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.472 -6.259 -1.987 1.00 0.00 N ATOM 1607 CA ALA A 100 -7.092 -7.711 -1.823 1.00 0.00 C ATOM 1608 C ALA A 100 -5.678 -7.799 -1.216 1.00 0.00 C ATOM 1609 O ALA A 100 -5.422 -8.613 -0.350 1.00 0.00 O ATOM 1610 CB ALA A 100 -7.108 -8.339 -3.226 1.00 0.00 C ATOM 0 H ALA A 100 -7.686 -5.966 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.783 -8.234 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.838 -9.393 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.106 -8.248 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.391 -7.822 -3.864 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.764 -6.949 -1.651 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.373 -6.982 -1.069 1.00 0.00 C ATOM 1618 C VAL A 101 -3.414 -6.530 0.405 1.00 0.00 C ATOM 1619 O VAL A 101 -2.673 -7.036 1.227 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.522 -6.002 -1.902 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.082 -5.960 -1.364 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.511 -6.457 -3.366 1.00 0.00 C ATOM 0 H VAL A 101 -4.918 -6.245 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.953 -7.987 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.954 -5.004 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.491 -5.265 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.091 -5.630 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.642 -6.955 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.910 -5.766 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.084 -7.458 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.531 -6.471 -3.750 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.272 -5.585 0.750 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.337 -5.126 2.184 1.00 0.00 C ATOM 1634 C ILE A 102 -4.986 -6.213 3.062 1.00 0.00 C ATOM 1635 O ILE A 102 -4.599 -6.397 4.200 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.184 -3.836 2.198 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -4.494 -2.761 1.353 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.329 -3.323 3.636 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -5.459 -1.597 1.119 1.00 0.00 C ATOM 0 H ILE A 102 -4.918 -5.120 0.112 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.341 -4.939 2.584 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.170 -4.054 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.596 -2.407 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.177 -3.182 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.928 -2.412 3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.820 -4.082 4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.342 -3.110 4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.968 -0.832 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.344 -1.958 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.754 -1.171 2.078 1.00 0.00 H new ATOM 1651 N SER A 103 -5.965 -6.946 2.551 1.00 0.00 N ATOM 1652 CA SER A 103 -6.609 -8.023 3.394 1.00 0.00 C ATOM 1653 C SER A 103 -5.534 -9.007 3.877 1.00 0.00 C ATOM 1654 O SER A 103 -5.509 -9.384 5.034 1.00 0.00 O ATOM 1655 CB SER A 103 -7.627 -8.745 2.499 1.00 0.00 C ATOM 1656 OG SER A 103 -8.822 -7.977 2.435 1.00 0.00 O ATOM 0 H SER A 103 -6.338 -6.848 1.607 1.00 0.00 H new ATOM 0 HA SER A 103 -7.101 -7.600 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.216 -8.884 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.839 -9.737 2.897 1.00 0.00 H new ATOM 0 HG SER A 103 -9.474 -8.433 1.863 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.626 -9.408 3.006 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.535 -10.352 3.451 1.00 0.00 C ATOM 1664 C ALA A 104 -2.747 -9.721 4.618 1.00 0.00 C ATOM 1665 O ALA A 104 -2.279 -10.417 5.499 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.609 -10.564 2.243 1.00 0.00 C ATOM 0 H ALA A 104 -4.591 -9.130 2.025 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.948 -11.300 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.802 -11.243 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.179 -10.993 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.189 -9.607 1.934 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.605 -8.404 4.641 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.853 -7.743 5.770 1.00 0.00 C ATOM 1674 C PHE A 105 -2.469 -8.151 7.116 1.00 0.00 C ATOM 1675 O PHE A 105 -1.760 -8.460 8.056 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.017 -6.225 5.562 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.086 -5.461 6.477 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.278 -5.481 7.865 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.034 -4.718 5.933 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.419 -4.766 8.698 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.822 -4.003 6.769 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.629 -4.027 8.151 1.00 0.00 C ATOM 0 H PHE A 105 -2.974 -7.767 3.934 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.803 -8.037 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.806 -5.969 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.049 -5.934 5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.092 -6.050 8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.116 -4.698 4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.565 -4.785 9.768 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.635 -3.430 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.293 -3.472 8.798 1.00 0.00 H new ATOM 1692 N SER A 106 -3.783 -8.149 7.219 1.00 0.00 N ATOM 1693 CA SER A 106 -4.422 -8.536 8.528 1.00 0.00 C ATOM 1694 C SER A 106 -4.107 -10.001 8.851 1.00 0.00 C ATOM 1695 O SER A 106 -3.814 -10.336 9.984 1.00 0.00 O ATOM 1696 CB SER A 106 -5.935 -8.340 8.362 1.00 0.00 C ATOM 1697 OG SER A 106 -6.248 -6.961 8.495 1.00 0.00 O ATOM 0 H SER A 106 -4.430 -7.902 6.470 1.00 0.00 H new ATOM 0 HA SER A 106 -4.041 -7.925 9.347 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.255 -8.705 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.473 -8.921 9.112 1.00 0.00 H new ATOM 0 HG SER A 106 -7.214 -6.833 8.388 1.00 0.00 H new ATOM 1703 N THR A 107 -4.153 -10.880 7.870 1.00 0.00 N ATOM 1704 CA THR A 107 -3.836 -12.324 8.155 1.00 0.00 C ATOM 1705 C THR A 107 -2.336 -12.480 8.436 1.00 0.00 C ATOM 1706 O THR A 107 -1.948 -13.256 9.290 1.00 0.00 O ATOM 1707 CB THR A 107 -4.236 -13.125 6.907 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.560 -12.776 6.525 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.170 -14.622 7.215 1.00 0.00 C ATOM 0 H THR A 107 -4.392 -10.666 6.902 1.00 0.00 H new ATOM 0 HA THR A 107 -4.378 -12.683 9.030 1.00 0.00 H new ATOM 0 HB THR A 107 -3.550 -12.894 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.815 -13.285 5.728 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.454 -15.189 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.154 -14.889 7.506 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.855 -14.856 8.030 1.00 0.00 H new ATOM 1717 N MET A 108 -1.485 -11.744 7.746 1.00 0.00 N ATOM 1718 CA MET A 108 -0.014 -11.870 8.024 1.00 0.00 C ATOM 1719 C MET A 108 0.300 -11.296 9.415 1.00 0.00 C ATOM 1720 O MET A 108 1.159 -11.804 10.111 1.00 0.00 O ATOM 1721 CB MET A 108 0.716 -11.079 6.932 1.00 0.00 C ATOM 1722 CG MET A 108 0.727 -11.906 5.644 1.00 0.00 C ATOM 1723 SD MET A 108 0.763 -10.803 4.211 1.00 0.00 S ATOM 1724 CE MET A 108 0.793 -12.093 2.943 1.00 0.00 C ATOM 0 H MET A 108 -1.740 -11.076 7.018 1.00 0.00 H new ATOM 0 HA MET A 108 0.306 -12.912 8.016 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.219 -10.124 6.762 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.736 -10.856 7.246 1.00 0.00 H new ATOM 0 HG2 MET A 108 1.596 -12.564 5.630 1.00 0.00 H new ATOM 0 HG3 MET A 108 -0.156 -12.543 5.602 1.00 0.00 H new ATOM 0 HE1 MET A 108 1.738 -12.049 2.401 1.00 0.00 H new ATOM 0 HE2 MET A 108 0.691 -13.070 3.415 1.00 0.00 H new ATOM 0 HE3 MET A 108 -0.032 -11.938 2.247 1.00 0.00 H new ATOM 1734 N MET A 109 -0.395 -10.252 9.843 1.00 0.00 N ATOM 1735 CA MET A 109 -0.118 -9.688 11.213 1.00 0.00 C ATOM 1736 C MET A 109 -0.328 -10.785 12.266 1.00 0.00 C ATOM 1737 O MET A 109 0.456 -10.919 13.178 1.00 0.00 O ATOM 1738 CB MET A 109 -1.117 -8.541 11.437 1.00 0.00 C ATOM 1739 CG MET A 109 -0.815 -7.852 12.769 1.00 0.00 C ATOM 1740 SD MET A 109 -1.908 -6.424 12.973 1.00 0.00 S ATOM 1741 CE MET A 109 -1.355 -5.950 14.629 1.00 0.00 C ATOM 0 H MET A 109 -1.126 -9.777 9.313 1.00 0.00 H new ATOM 0 HA MET A 109 0.907 -9.326 11.295 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.050 -7.822 10.620 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.136 -8.928 11.439 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.956 -8.552 13.593 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.227 -7.533 12.797 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.896 -5.061 14.953 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.549 -6.766 15.325 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.286 -5.737 14.609 1.00 0.00 H new ATOM 1751 N SER A 110 -1.359 -11.598 12.143 1.00 0.00 N ATOM 1752 CA SER A 110 -1.553 -12.696 13.168 1.00 0.00 C ATOM 1753 C SER A 110 -0.294 -13.580 13.250 1.00 0.00 C ATOM 1754 O SER A 110 0.038 -14.078 14.311 1.00 0.00 O ATOM 1755 CB SER A 110 -2.760 -13.528 12.710 1.00 0.00 C ATOM 1756 OG SER A 110 -3.954 -12.796 12.954 1.00 0.00 O ATOM 0 H SER A 110 -2.058 -11.556 11.402 1.00 0.00 H new ATOM 0 HA SER A 110 -1.724 -12.276 14.159 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.674 -13.762 11.649 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.786 -14.477 13.245 1.00 0.00 H new ATOM 0 HG SER A 110 -4.727 -13.323 12.661 1.00 0.00 H new ATOM 1762 N VAL A 111 0.421 -13.767 12.157 1.00 0.00 N ATOM 1763 CA VAL A 111 1.668 -14.609 12.224 1.00 0.00 C ATOM 1764 C VAL A 111 2.846 -13.820 12.846 1.00 0.00 C ATOM 1765 O VAL A 111 3.886 -14.393 13.111 1.00 0.00 O ATOM 1766 CB VAL A 111 2.004 -15.018 10.780 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.221 -15.946 10.781 1.00 0.00 C ATOM 1768 CG2 VAL A 111 0.808 -15.750 10.165 1.00 0.00 C ATOM 0 H VAL A 111 0.201 -13.381 11.239 1.00 0.00 H new ATOM 0 HA VAL A 111 1.503 -15.482 12.856 1.00 0.00 H new ATOM 0 HB VAL A 111 2.227 -14.126 10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.459 -16.236 9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.074 -15.427 11.219 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.998 -16.837 11.368 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.046 -16.040 9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.586 -16.641 10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.060 -15.091 10.163 1.00 0.00 H new ATOM 1778 N HIS A 112 2.706 -12.526 13.099 1.00 0.00 N ATOM 1779 CA HIS A 112 3.827 -11.763 13.718 1.00 0.00 C ATOM 1780 C HIS A 112 3.711 -11.811 15.264 1.00 0.00 C ATOM 1781 O HIS A 112 4.696 -11.648 15.959 1.00 0.00 O ATOM 1782 CB HIS A 112 3.709 -10.328 13.125 1.00 0.00 C ATOM 1783 CG HIS A 112 3.128 -9.338 14.107 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.840 -9.427 14.603 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.673 -8.243 14.689 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.661 -8.404 15.453 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.753 -7.645 15.545 1.00 0.00 N ATOM 0 H HIS A 112 1.867 -11.981 12.901 1.00 0.00 H new ATOM 0 HA HIS A 112 4.812 -12.176 13.499 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.696 -9.986 12.812 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.084 -10.358 12.233 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.151 -10.141 14.366 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.677 -7.885 14.514 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.746 -8.219 15.995 1.00 0.00 H new ATOM 1795 N ARG A 113 2.521 -12.033 15.809 1.00 0.00 N ATOM 1796 CA ARG A 113 2.392 -12.084 17.303 1.00 0.00 C ATOM 1797 C ARG A 113 2.510 -13.536 17.810 1.00 0.00 C ATOM 1798 O ARG A 113 2.981 -13.766 18.908 1.00 0.00 O ATOM 1799 CB ARG A 113 1.001 -11.514 17.628 1.00 0.00 C ATOM 1800 CG ARG A 113 1.107 -10.527 18.794 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.217 -9.777 18.949 1.00 0.00 C ATOM 1802 NE ARG A 113 -0.335 -9.504 20.409 1.00 0.00 N ATOM 1803 CZ ARG A 113 -0.363 -8.273 20.842 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -1.484 -7.605 20.840 1.00 0.00 N ATOM 1805 NH2 ARG A 113 0.731 -7.710 21.278 1.00 0.00 N ATOM 0 H ARG A 113 1.656 -12.177 15.289 1.00 0.00 H new ATOM 0 HA ARG A 113 3.183 -11.512 17.789 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.589 -11.014 16.752 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.317 -12.323 17.885 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.346 -11.060 19.715 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.918 -9.821 18.615 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.217 -8.852 18.373 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.054 -10.375 18.590 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.394 -10.279 21.070 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.339 -8.045 20.500 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.505 -6.643 21.179 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.607 -8.232 21.280 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.710 -6.748 21.616 1.00 0.00 H new ATOM 1819 N GLY A 114 2.092 -14.520 17.030 1.00 0.00 N ATOM 1820 CA GLY A 114 2.195 -15.938 17.495 1.00 0.00 C ATOM 1821 C GLY A 114 3.403 -16.621 16.833 1.00 0.00 C ATOM 1822 O GLY A 114 3.328 -17.771 16.444 1.00 0.00 O ATOM 0 H GLY A 114 1.689 -14.396 16.101 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.299 -15.967 18.580 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.281 -16.478 17.248 1.00 0.00 H new ATOM 2000 N GLU B 7 10.139 -9.104 -6.689 1.00 0.00 N ATOM 2001 CA GLU B 7 9.815 -8.499 -5.365 1.00 0.00 C ATOM 2002 C GLU B 7 10.636 -7.216 -5.180 1.00 0.00 C ATOM 2003 O GLU B 7 11.254 -7.013 -4.152 1.00 0.00 O ATOM 2004 CB GLU B 7 10.216 -9.553 -4.330 1.00 0.00 C ATOM 2005 CG GLU B 7 9.409 -10.838 -4.559 1.00 0.00 C ATOM 2006 CD GLU B 7 10.268 -11.863 -5.304 1.00 0.00 C ATOM 2007 OE1 GLU B 7 11.083 -11.449 -6.112 1.00 0.00 O ATOM 2008 OE2 GLU B 7 10.096 -13.045 -5.053 1.00 0.00 O ATOM 0 HA GLU B 7 8.763 -8.231 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU B 7 11.283 -9.764 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.037 -9.175 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU B 7 9.083 -11.249 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU B 7 8.510 -10.616 -5.134 1.00 0.00 H new ATOM 2015 N VAL B 8 10.650 -6.344 -6.173 1.00 0.00 N ATOM 2016 CA VAL B 8 11.446 -5.065 -6.040 1.00 0.00 C ATOM 2017 C VAL B 8 11.021 -4.317 -4.764 1.00 0.00 C ATOM 2018 O VAL B 8 11.850 -3.773 -4.059 1.00 0.00 O ATOM 2019 CB VAL B 8 11.148 -4.216 -7.290 1.00 0.00 C ATOM 2020 CG1 VAL B 8 11.898 -2.883 -7.202 1.00 0.00 C ATOM 2021 CG2 VAL B 8 11.612 -4.972 -8.538 1.00 0.00 C ATOM 0 H VAL B 8 10.154 -6.458 -7.057 1.00 0.00 H new ATOM 0 HA VAL B 8 12.514 -5.270 -5.965 1.00 0.00 H new ATOM 0 HB VAL B 8 10.076 -4.026 -7.349 1.00 0.00 H new ATOM 0 HG11 VAL B 8 11.684 -2.286 -8.088 1.00 0.00 H new ATOM 0 HG12 VAL B 8 11.575 -2.342 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL B 8 12.970 -3.072 -7.142 1.00 0.00 H new ATOM 0 HG21 VAL B 8 11.402 -4.374 -9.425 1.00 0.00 H new ATOM 0 HG22 VAL B 8 12.684 -5.160 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL B 8 11.081 -5.921 -8.607 1.00 0.00 H new ATOM 2031 N SER B 9 9.741 -4.299 -4.452 1.00 0.00 N ATOM 2032 CA SER B 9 9.298 -3.594 -3.195 1.00 0.00 C ATOM 2033 C SER B 9 9.965 -4.250 -1.973 1.00 0.00 C ATOM 2034 O SER B 9 10.299 -3.579 -1.015 1.00 0.00 O ATOM 2035 CB SER B 9 7.772 -3.745 -3.112 1.00 0.00 C ATOM 2036 OG SER B 9 7.304 -3.134 -1.916 1.00 0.00 O ATOM 0 H SER B 9 8.997 -4.732 -4.999 1.00 0.00 H new ATOM 0 HA SER B 9 9.581 -2.541 -3.210 1.00 0.00 H new ATOM 0 HB2 SER B 9 7.301 -3.282 -3.979 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.498 -4.800 -3.126 1.00 0.00 H new ATOM 0 HG SER B 9 6.330 -3.227 -1.861 1.00 0.00 H new ATOM 2042 N SER B 10 10.174 -5.557 -1.998 1.00 0.00 N ATOM 2043 CA SER B 10 10.834 -6.227 -0.823 1.00 0.00 C ATOM 2044 C SER B 10 12.286 -5.748 -0.700 1.00 0.00 C ATOM 2045 O SER B 10 12.697 -5.278 0.345 1.00 0.00 O ATOM 2046 CB SER B 10 10.800 -7.736 -1.105 1.00 0.00 C ATOM 2047 OG SER B 10 11.491 -8.425 -0.070 1.00 0.00 O ATOM 0 H SER B 10 9.920 -6.176 -2.768 1.00 0.00 H new ATOM 0 HA SER B 10 10.322 -5.989 0.109 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.768 -8.083 -1.163 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.262 -7.948 -2.069 1.00 0.00 H new ATOM 0 HG SER B 10 11.469 -9.389 -0.247 1.00 0.00 H new ATOM 2053 N ILE B 11 13.070 -5.851 -1.758 1.00 0.00 N ATOM 2054 CA ILE B 11 14.500 -5.378 -1.665 1.00 0.00 C ATOM 2055 C ILE B 11 14.538 -3.878 -1.302 1.00 0.00 C ATOM 2056 O ILE B 11 15.443 -3.431 -0.623 1.00 0.00 O ATOM 2057 CB ILE B 11 15.167 -5.630 -3.037 1.00 0.00 C ATOM 2058 CG1 ILE B 11 14.461 -4.817 -4.129 1.00 0.00 C ATOM 2059 CG2 ILE B 11 15.095 -7.124 -3.384 1.00 0.00 C ATOM 2060 CD1 ILE B 11 15.298 -4.851 -5.409 1.00 0.00 C ATOM 0 H ILE B 11 12.791 -6.233 -2.662 1.00 0.00 H new ATOM 0 HA ILE B 11 15.037 -5.919 -0.886 1.00 0.00 H new ATOM 0 HB ILE B 11 16.210 -5.319 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.469 -5.227 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.323 -3.787 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE B 11 15.566 -7.296 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE B 11 15.615 -7.701 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE B 11 14.052 -7.438 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE B 11 14.798 -4.274 -6.186 1.00 0.00 H new ATOM 0 HD12 ILE B 11 16.280 -4.421 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE B 11 15.413 -5.883 -5.741 1.00 0.00 H new ATOM 2072 N LEU B 12 13.561 -3.096 -1.736 1.00 0.00 N ATOM 2073 CA LEU B 12 13.571 -1.632 -1.381 1.00 0.00 C ATOM 2074 C LEU B 12 13.447 -1.458 0.142 1.00 0.00 C ATOM 2075 O LEU B 12 14.054 -0.572 0.713 1.00 0.00 O ATOM 2076 CB LEU B 12 12.363 -0.994 -2.086 1.00 0.00 C ATOM 2077 CG LEU B 12 12.526 0.526 -2.104 1.00 0.00 C ATOM 2078 CD1 LEU B 12 13.515 0.921 -3.202 1.00 0.00 C ATOM 2079 CD2 LEU B 12 11.170 1.181 -2.381 1.00 0.00 C ATOM 0 H LEU B 12 12.775 -3.403 -2.308 1.00 0.00 H new ATOM 0 HA LEU B 12 14.501 -1.159 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.281 -1.373 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU B 12 11.442 -1.265 -1.570 1.00 0.00 H new ATOM 0 HG LEU B 12 12.903 0.862 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU B 12 13.631 2.005 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU B 12 14.481 0.455 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU B 12 13.139 0.585 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU B 12 11.285 2.265 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU B 12 10.794 0.844 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU B 12 10.464 0.901 -1.599 1.00 0.00 H new ATOM 2091 N GLU B 13 12.671 -2.294 0.813 1.00 0.00 N ATOM 2092 CA GLU B 13 12.534 -2.145 2.309 1.00 0.00 C ATOM 2093 C GLU B 13 13.917 -2.231 2.979 1.00 0.00 C ATOM 2094 O GLU B 13 14.191 -1.517 3.926 1.00 0.00 O ATOM 2095 CB GLU B 13 11.640 -3.298 2.794 1.00 0.00 C ATOM 2096 CG GLU B 13 11.116 -2.983 4.196 1.00 0.00 C ATOM 2097 CD GLU B 13 12.210 -3.263 5.226 1.00 0.00 C ATOM 2098 OE1 GLU B 13 12.516 -4.426 5.437 1.00 0.00 O ATOM 2099 OE2 GLU B 13 12.726 -2.310 5.788 1.00 0.00 O ATOM 0 H GLU B 13 12.137 -3.058 0.399 1.00 0.00 H new ATOM 0 HA GLU B 13 12.099 -1.179 2.565 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.806 -3.440 2.106 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.205 -4.230 2.806 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.806 -1.940 4.254 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.236 -3.589 4.411 1.00 0.00 H new ATOM 2106 N GLU B 14 14.793 -3.088 2.495 1.00 0.00 N ATOM 2107 CA GLU B 14 16.160 -3.183 3.123 1.00 0.00 C ATOM 2108 C GLU B 14 16.969 -1.913 2.806 1.00 0.00 C ATOM 2109 O GLU B 14 17.729 -1.443 3.632 1.00 0.00 O ATOM 2110 CB GLU B 14 16.845 -4.416 2.513 1.00 0.00 C ATOM 2111 CG GLU B 14 18.083 -4.774 3.338 1.00 0.00 C ATOM 2112 CD GLU B 14 18.268 -6.292 3.352 1.00 0.00 C ATOM 2113 OE1 GLU B 14 18.850 -6.805 2.411 1.00 0.00 O ATOM 2114 OE2 GLU B 14 17.825 -6.913 4.302 1.00 0.00 O ATOM 0 H GLU B 14 14.627 -3.715 1.708 1.00 0.00 H new ATOM 0 HA GLU B 14 16.091 -3.274 4.207 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.152 -5.257 2.494 1.00 0.00 H new ATOM 0 HB3 GLU B 14 17.129 -4.213 1.480 1.00 0.00 H new ATOM 0 HG2 GLU B 14 18.966 -4.294 2.915 1.00 0.00 H new ATOM 0 HG3 GLU B 14 17.974 -4.401 4.356 1.00 0.00 H new