USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 88 SER OG : rot 15:sc= 0.506 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -142:sc= -1.14 (180deg=-2.24!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -0.143 F(o=-2.1!,f=-1.4) USER MOD Set 1.4: A 99 SER OG : rot -145:sc= -0.612 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 172:sc= -2.71! (180deg=-2.81!) USER MOD Set 2.2: A 43 THR OG1 : rot -90:sc= -3.21! USER MOD Single : A 19 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-3.9!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -60:sc= 1.15 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -130:sc= -0.458 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.497 USER MOD Single : A 80 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.14) USER MOD Single : A 85 TYR OH : rot -15:sc= 0.304 USER MOD Single : A 92 ASN :FLIP amide:sc=-0.00764 F(o=-0.9,f=-0.0076) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.202 USER MOD Single : B 11 SER OG : rot 6:sc= -0.435 USER MOD Single : B 12 SER OG : rot -8:sc= 1.05 USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0164 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 114.165 6.518 28.934 1.00 2.21 N ATOM 228 CA GLY A 16 112.840 5.952 29.305 1.00 2.06 C ATOM 229 C GLY A 16 112.565 4.648 28.553 1.00 1.98 C ATOM 230 O GLY A 16 113.449 3.847 28.320 1.00 2.44 O ATOM 0 HA2 GLY A 16 112.808 5.769 30.379 1.00 2.06 H new ATOM 0 HA3 GLY A 16 112.057 6.676 29.081 1.00 2.06 H new ATOM 234 N GLY A 17 111.326 4.423 28.207 1.00 1.81 N ATOM 235 CA GLY A 17 110.942 3.166 27.505 1.00 1.74 C ATOM 236 C GLY A 17 111.949 2.806 26.407 1.00 1.78 C ATOM 237 O GLY A 17 112.050 1.659 26.020 1.00 1.80 O ATOM 0 H GLY A 17 110.554 5.066 28.384 1.00 1.81 H new ATOM 0 HA2 GLY A 17 110.880 2.350 28.225 1.00 1.74 H new ATOM 0 HA3 GLY A 17 109.950 3.281 27.067 1.00 1.74 H new ATOM 241 N ALA A 18 112.682 3.762 25.888 1.00 1.84 N ATOM 242 CA ALA A 18 113.671 3.446 24.809 1.00 1.96 C ATOM 243 C ALA A 18 114.431 2.160 25.153 1.00 2.07 C ATOM 244 O ALA A 18 115.036 1.537 24.303 1.00 2.21 O ATOM 245 CB ALA A 18 114.661 4.610 24.665 1.00 2.09 C ATOM 0 H ALA A 18 112.639 4.743 26.163 1.00 1.84 H new ATOM 0 HA ALA A 18 113.140 3.302 23.868 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.381 4.380 23.880 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.119 5.519 24.405 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.188 4.759 25.608 1.00 2.09 H new ATOM 251 N HIS A 19 114.400 1.759 26.396 1.00 2.06 N ATOM 252 CA HIS A 19 115.112 0.517 26.808 1.00 2.21 C ATOM 253 C HIS A 19 114.135 -0.668 26.799 1.00 2.15 C ATOM 254 O HIS A 19 114.402 -1.695 26.206 1.00 2.33 O ATOM 255 CB HIS A 19 115.677 0.715 28.219 1.00 2.33 C ATOM 256 CG HIS A 19 116.179 -0.597 28.767 1.00 2.51 C ATOM 257 ND1 HIS A 19 115.322 -1.635 29.100 1.00 2.79 N ATOM 258 CD2 HIS A 19 117.444 -1.053 29.045 1.00 2.86 C ATOM 259 CE1 HIS A 19 116.075 -2.653 29.555 1.00 2.87 C ATOM 260 NE2 HIS A 19 117.376 -2.351 29.542 1.00 2.87 N ATOM 0 H HIS A 19 113.908 2.243 27.148 1.00 2.06 H new ATOM 0 HA HIS A 19 115.925 0.308 26.112 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.489 1.442 28.195 1.00 2.33 H new ATOM 0 HB3 HIS A 19 114.906 1.120 28.874 1.00 2.33 H new ATOM 0 HD2 HIS A 19 118.354 -0.490 28.900 1.00 2.86 H new ATOM 0 HE1 HIS A 19 115.676 -3.599 29.890 1.00 2.87 H new ATOM 0 HE2 HIS A 19 118.153 -2.944 29.834 1.00 2.87 H new ATOM 268 N LYS A 20 113.011 -0.542 27.455 1.00 2.02 N ATOM 269 CA LYS A 20 112.038 -1.673 27.479 1.00 2.01 C ATOM 270 C LYS A 20 111.465 -1.885 26.077 1.00 1.90 C ATOM 271 O LYS A 20 110.873 -2.907 25.789 1.00 1.96 O ATOM 272 CB LYS A 20 110.905 -1.372 28.475 1.00 1.99 C ATOM 273 CG LYS A 20 109.995 -0.231 27.949 1.00 1.81 C ATOM 274 CD LYS A 20 108.704 -0.803 27.336 1.00 1.74 C ATOM 275 CE LYS A 20 107.987 0.269 26.481 1.00 1.58 C ATOM 276 NZ LYS A 20 106.551 0.326 26.873 1.00 1.94 N ATOM 0 H LYS A 20 112.726 0.290 27.972 1.00 2.02 H new ATOM 0 HA LYS A 20 112.550 -2.581 27.797 1.00 2.01 H new ATOM 0 HB2 LYS A 20 110.310 -2.271 28.638 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.328 -1.090 29.439 1.00 1.99 H new ATOM 0 HG2 LYS A 20 109.746 0.448 28.765 1.00 1.81 H new ATOM 0 HG3 LYS A 20 110.531 0.353 27.201 1.00 1.81 H new ATOM 0 HD2 LYS A 20 108.941 -1.670 26.719 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.040 -1.148 28.129 1.00 1.74 H new ATOM 0 HE2 LYS A 20 108.456 1.242 26.628 1.00 1.58 H new ATOM 0 HE3 LYS A 20 108.078 0.028 25.422 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 106.094 1.133 26.402 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 106.078 -0.555 26.587 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 106.477 0.440 27.904 1.00 1.94 H new ATOM 290 N VAL A 21 111.645 -0.937 25.197 1.00 1.80 N ATOM 291 CA VAL A 21 111.119 -1.104 23.814 1.00 1.71 C ATOM 292 C VAL A 21 112.042 -2.046 23.047 1.00 1.76 C ATOM 293 O VAL A 21 113.188 -1.736 22.792 1.00 1.81 O ATOM 294 CB VAL A 21 111.061 0.255 23.109 1.00 1.64 C ATOM 295 CG1 VAL A 21 110.669 0.053 21.641 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.021 1.148 23.799 1.00 1.75 C ATOM 0 H VAL A 21 112.131 -0.058 25.376 1.00 1.80 H new ATOM 0 HA VAL A 21 110.113 -1.521 23.851 1.00 1.71 H new ATOM 0 HB VAL A 21 112.039 0.732 23.161 1.00 1.64 H new ATOM 0 HG11 VAL A 21 110.628 1.020 21.139 1.00 2.07 H new ATOM 0 HG12 VAL A 21 111.409 -0.579 21.150 1.00 2.07 H new ATOM 0 HG13 VAL A 21 109.691 -0.425 21.588 1.00 2.07 H new ATOM 0 HG21 VAL A 21 109.981 2.114 23.297 1.00 1.75 H new ATOM 0 HG22 VAL A 21 109.042 0.672 23.749 1.00 1.75 H new ATOM 0 HG23 VAL A 21 110.301 1.293 24.842 1.00 1.75 H new ATOM 306 N ARG A 22 111.549 -3.207 22.696 1.00 1.78 N ATOM 307 CA ARG A 22 112.384 -4.205 21.961 1.00 1.85 C ATOM 308 C ARG A 22 111.889 -4.349 20.522 1.00 1.74 C ATOM 309 O ARG A 22 110.705 -4.433 20.262 1.00 1.66 O ATOM 310 CB ARG A 22 112.279 -5.549 22.685 1.00 1.96 C ATOM 311 CG ARG A 22 113.024 -6.644 21.905 1.00 2.03 C ATOM 312 CD ARG A 22 114.481 -6.231 21.663 1.00 2.18 C ATOM 313 NE ARG A 22 115.309 -7.448 21.432 1.00 2.75 N ATOM 314 CZ ARG A 22 116.503 -7.337 20.915 1.00 3.10 C ATOM 315 NH1 ARG A 22 116.973 -6.160 20.605 1.00 3.50 N ATOM 316 NH2 ARG A 22 117.228 -8.403 20.709 1.00 3.33 N ATOM 0 H ARG A 22 110.594 -3.509 22.889 1.00 1.78 H new ATOM 0 HA ARG A 22 113.422 -3.873 21.935 1.00 1.85 H new ATOM 0 HB2 ARG A 22 112.697 -5.461 23.688 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.231 -5.826 22.799 1.00 1.96 H new ATOM 0 HG2 ARG A 22 112.993 -7.581 22.461 1.00 2.03 H new ATOM 0 HG3 ARG A 22 112.527 -6.822 20.952 1.00 2.03 H new ATOM 0 HD2 ARG A 22 114.544 -5.566 20.801 1.00 2.18 H new ATOM 0 HD3 ARG A 22 114.861 -5.677 22.521 1.00 2.18 H new ATOM 0 HE ARG A 22 114.943 -8.368 21.678 1.00 2.75 H new ATOM 0 HH11 ARG A 22 116.408 -5.326 20.766 1.00 3.50 H new ATOM 0 HH12 ARG A 22 117.906 -6.073 20.201 1.00 3.50 H new ATOM 0 HH21 ARG A 22 116.862 -9.324 20.952 1.00 3.33 H new ATOM 0 HH22 ARG A 22 118.161 -8.315 20.305 1.00 3.33 H new ATOM 330 N ALA A 23 112.801 -4.387 19.587 1.00 1.77 N ATOM 331 CA ALA A 23 112.424 -4.535 18.152 1.00 1.68 C ATOM 332 C ALA A 23 113.420 -5.480 17.480 1.00 1.77 C ATOM 333 O ALA A 23 114.588 -5.172 17.350 1.00 1.83 O ATOM 334 CB ALA A 23 112.486 -3.167 17.467 1.00 1.59 C ATOM 0 H ALA A 23 113.804 -4.321 19.760 1.00 1.77 H new ATOM 0 HA ALA A 23 111.413 -4.935 18.071 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.211 -3.273 16.418 1.00 1.59 H new ATOM 0 HB2 ALA A 23 111.793 -2.483 17.957 1.00 1.59 H new ATOM 0 HB3 ALA A 23 113.499 -2.770 17.538 1.00 1.59 H new ATOM 340 N GLY A 24 112.975 -6.633 17.058 1.00 1.80 N ATOM 341 CA GLY A 24 113.906 -7.601 16.400 1.00 1.90 C ATOM 342 C GLY A 24 113.156 -8.383 15.323 1.00 1.86 C ATOM 343 O GLY A 24 112.124 -8.973 15.575 1.00 1.86 O ATOM 0 H GLY A 24 112.008 -6.948 17.139 1.00 1.80 H new ATOM 0 HA2 GLY A 24 114.747 -7.068 15.957 1.00 1.90 H new ATOM 0 HA3 GLY A 24 114.317 -8.286 17.141 1.00 1.90 H new ATOM 347 N GLY A 25 113.665 -8.391 14.123 1.00 1.85 N ATOM 348 CA GLY A 25 112.979 -9.135 13.032 1.00 1.84 C ATOM 349 C GLY A 25 113.792 -9.025 11.741 1.00 1.84 C ATOM 350 O GLY A 25 114.814 -8.369 11.692 1.00 1.84 O ATOM 0 H GLY A 25 114.525 -7.915 13.851 1.00 1.85 H new ATOM 0 HA2 GLY A 25 112.862 -10.182 13.311 1.00 1.84 H new ATOM 0 HA3 GLY A 25 111.978 -8.732 12.878 1.00 1.84 H new ATOM 354 N THR A 26 113.345 -9.661 10.693 1.00 1.86 N ATOM 355 CA THR A 26 114.089 -9.593 9.405 1.00 1.87 C ATOM 356 C THR A 26 113.770 -8.272 8.701 1.00 1.75 C ATOM 357 O THR A 26 114.548 -7.775 7.907 1.00 1.76 O ATOM 358 CB THR A 26 113.671 -10.760 8.510 1.00 1.96 C ATOM 359 OG1 THR A 26 112.258 -10.756 8.361 1.00 2.31 O ATOM 360 CG2 THR A 26 114.115 -12.079 9.143 1.00 2.29 C ATOM 0 H THR A 26 112.496 -10.225 10.674 1.00 1.86 H new ATOM 0 HA THR A 26 115.159 -9.652 9.602 1.00 1.87 H new ATOM 0 HB THR A 26 114.142 -10.654 7.533 1.00 1.96 H new ATOM 0 HG1 THR A 26 111.988 -11.502 7.786 1.00 2.31 H new ATOM 0 HG21 THR A 26 113.816 -12.909 8.503 1.00 2.29 H new ATOM 0 HG22 THR A 26 115.199 -12.081 9.257 1.00 2.29 H new ATOM 0 HG23 THR A 26 113.647 -12.189 10.121 1.00 2.29 H new ATOM 368 N GLY A 27 112.637 -7.691 8.993 1.00 1.64 N ATOM 369 CA GLY A 27 112.282 -6.399 8.346 1.00 1.54 C ATOM 370 C GLY A 27 113.223 -5.324 8.872 1.00 1.50 C ATOM 371 O GLY A 27 113.325 -4.242 8.328 1.00 1.46 O ATOM 0 H GLY A 27 111.946 -8.055 9.649 1.00 1.64 H new ATOM 0 HA2 GLY A 27 112.368 -6.481 7.263 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.247 -6.137 8.565 1.00 1.54 H new ATOM 375 N LEU A 28 113.918 -5.627 9.933 1.00 1.57 N ATOM 376 CA LEU A 28 114.872 -4.648 10.525 1.00 1.59 C ATOM 377 C LEU A 28 116.287 -5.011 10.077 1.00 1.69 C ATOM 378 O LEU A 28 117.242 -4.861 10.813 1.00 1.83 O ATOM 379 CB LEU A 28 114.786 -4.724 12.051 1.00 1.65 C ATOM 380 CG LEU A 28 113.340 -4.497 12.512 1.00 1.58 C ATOM 381 CD1 LEU A 28 113.212 -4.898 13.983 1.00 1.66 C ATOM 382 CD2 LEU A 28 112.958 -3.018 12.358 1.00 1.61 C ATOM 0 H LEU A 28 113.865 -6.521 10.420 1.00 1.57 H new ATOM 0 HA LEU A 28 114.627 -3.638 10.197 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.136 -5.697 12.394 1.00 1.65 H new ATOM 0 HB3 LEU A 28 115.440 -3.974 12.497 1.00 1.65 H new ATOM 0 HG LEU A 28 112.673 -5.102 11.899 1.00 1.58 H new ATOM 0 HD11 LEU A 28 112.186 -4.739 14.316 1.00 1.66 H new ATOM 0 HD12 LEU A 28 113.471 -5.951 14.097 1.00 1.66 H new ATOM 0 HD13 LEU A 28 113.887 -4.291 14.586 1.00 1.66 H new ATOM 0 HD21 LEU A 28 111.930 -2.871 12.689 1.00 1.61 H new ATOM 0 HD22 LEU A 28 113.625 -2.405 12.964 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.048 -2.726 11.312 1.00 1.61 H new ATOM 394 N GLU A 29 116.427 -5.495 8.869 1.00 1.73 N ATOM 395 CA GLU A 29 117.777 -5.879 8.360 1.00 1.84 C ATOM 396 C GLU A 29 117.871 -5.557 6.866 1.00 1.75 C ATOM 397 O GLU A 29 118.845 -4.995 6.405 1.00 1.78 O ATOM 398 CB GLU A 29 117.992 -7.379 8.573 1.00 2.00 C ATOM 399 CG GLU A 29 117.666 -7.743 10.023 1.00 2.06 C ATOM 400 CD GLU A 29 118.155 -9.163 10.316 1.00 1.98 C ATOM 401 OE1 GLU A 29 118.273 -9.933 9.377 1.00 2.34 O ATOM 402 OE2 GLU A 29 118.404 -9.456 11.474 1.00 2.21 O ATOM 0 H GLU A 29 115.661 -5.641 8.211 1.00 1.73 H new ATOM 0 HA GLU A 29 118.542 -5.321 8.900 1.00 1.84 H new ATOM 0 HB2 GLU A 29 117.358 -7.948 7.893 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.024 -7.645 8.344 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.142 -7.036 10.702 1.00 2.06 H new ATOM 0 HG3 GLU A 29 116.592 -7.675 10.193 1.00 2.06 H new ATOM 409 N ARG A 30 116.872 -5.909 6.100 1.00 1.69 N ATOM 410 CA ARG A 30 116.925 -5.616 4.636 1.00 1.64 C ATOM 411 C ARG A 30 115.579 -5.944 3.985 1.00 1.59 C ATOM 412 O ARG A 30 114.702 -6.516 4.602 1.00 1.61 O ATOM 413 CB ARG A 30 118.016 -6.473 3.990 1.00 1.75 C ATOM 414 CG ARG A 30 117.775 -7.945 4.333 1.00 2.21 C ATOM 415 CD ARG A 30 118.867 -8.806 3.695 1.00 2.47 C ATOM 416 NE ARG A 30 118.492 -10.244 3.806 1.00 2.96 N ATOM 417 CZ ARG A 30 119.113 -11.138 3.084 1.00 3.36 C ATOM 418 NH1 ARG A 30 120.063 -10.772 2.268 1.00 3.77 N ATOM 419 NH2 ARG A 30 118.784 -12.397 3.179 1.00 3.76 N ATOM 0 H ARG A 30 116.028 -6.383 6.421 1.00 1.69 H new ATOM 0 HA ARG A 30 117.145 -4.558 4.492 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.010 -6.334 2.909 1.00 1.75 H new ATOM 0 HB3 ARG A 30 118.998 -6.161 4.346 1.00 1.75 H new ATOM 0 HG2 ARG A 30 117.775 -8.082 5.414 1.00 2.21 H new ATOM 0 HG3 ARG A 30 116.795 -8.257 3.973 1.00 2.21 H new ATOM 0 HD2 ARG A 30 118.996 -8.532 2.648 1.00 2.47 H new ATOM 0 HD3 ARG A 30 119.821 -8.628 4.191 1.00 2.47 H new ATOM 0 HE ARG A 30 117.751 -10.530 4.446 1.00 2.96 H new ATOM 0 HH11 ARG A 30 120.321 -9.788 2.194 1.00 3.77 H new ATOM 0 HH12 ARG A 30 120.548 -11.470 1.704 1.00 3.77 H new ATOM 0 HH21 ARG A 30 118.042 -12.683 3.817 1.00 3.76 H new ATOM 0 HH22 ARG A 30 119.269 -13.095 2.615 1.00 3.76 H new ATOM 433 N GLY A 31 115.412 -5.590 2.734 1.00 1.54 N ATOM 434 CA GLY A 31 114.130 -5.883 2.028 1.00 1.52 C ATOM 435 C GLY A 31 114.433 -6.134 0.552 1.00 1.55 C ATOM 436 O GLY A 31 115.558 -5.988 0.116 1.00 1.57 O ATOM 0 H GLY A 31 116.113 -5.109 2.171 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.646 -6.755 2.468 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.439 -5.047 2.136 1.00 1.52 H new ATOM 440 N VAL A 32 113.448 -6.521 -0.226 1.00 1.56 N ATOM 441 CA VAL A 32 113.694 -6.789 -1.682 1.00 1.60 C ATOM 442 C VAL A 32 112.592 -6.147 -2.544 1.00 1.53 C ATOM 443 O VAL A 32 111.474 -5.952 -2.111 1.00 1.50 O ATOM 444 CB VAL A 32 113.744 -8.310 -1.896 1.00 1.75 C ATOM 445 CG1 VAL A 32 113.637 -8.655 -3.388 1.00 1.80 C ATOM 446 CG2 VAL A 32 115.068 -8.857 -1.351 1.00 1.83 C ATOM 0 H VAL A 32 112.486 -6.663 0.083 1.00 1.56 H new ATOM 0 HA VAL A 32 114.643 -6.347 -1.986 1.00 1.60 H new ATOM 0 HB VAL A 32 112.903 -8.761 -1.369 1.00 1.75 H new ATOM 0 HG11 VAL A 32 113.675 -9.737 -3.515 1.00 1.80 H new ATOM 0 HG12 VAL A 32 112.694 -8.276 -3.782 1.00 1.80 H new ATOM 0 HG13 VAL A 32 114.466 -8.197 -3.928 1.00 1.80 H new ATOM 0 HG21 VAL A 32 115.106 -9.936 -1.502 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.900 -8.388 -1.877 1.00 1.83 H new ATOM 0 HG23 VAL A 32 115.142 -8.637 -0.286 1.00 1.83 H new ATOM 456 N ALA A 33 112.927 -5.810 -3.765 1.00 1.51 N ATOM 457 CA ALA A 33 111.948 -5.162 -4.697 1.00 1.46 C ATOM 458 C ALA A 33 110.543 -5.787 -4.597 1.00 1.53 C ATOM 459 O ALA A 33 110.313 -6.906 -5.012 1.00 1.64 O ATOM 460 CB ALA A 33 112.471 -5.310 -6.147 1.00 1.51 C ATOM 0 H ALA A 33 113.854 -5.959 -4.163 1.00 1.51 H new ATOM 0 HA ALA A 33 111.859 -4.113 -4.416 1.00 1.46 H new ATOM 0 HB1 ALA A 33 111.768 -4.843 -6.837 1.00 1.51 H new ATOM 0 HB2 ALA A 33 113.443 -4.824 -6.235 1.00 1.51 H new ATOM 0 HB3 ALA A 33 112.571 -6.367 -6.392 1.00 1.51 H new ATOM 466 N GLY A 34 109.600 -5.036 -4.100 1.00 1.46 N ATOM 467 CA GLY A 34 108.193 -5.519 -4.019 1.00 1.52 C ATOM 468 C GLY A 34 108.106 -6.855 -3.296 1.00 1.62 C ATOM 469 O GLY A 34 107.508 -7.792 -3.788 1.00 1.73 O ATOM 0 H GLY A 34 109.747 -4.093 -3.741 1.00 1.46 H new ATOM 0 HA2 GLY A 34 107.583 -4.781 -3.498 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.783 -5.620 -5.024 1.00 1.52 H new ATOM 473 N VAL A 35 108.677 -6.950 -2.124 1.00 1.59 N ATOM 474 CA VAL A 35 108.611 -8.224 -1.345 1.00 1.69 C ATOM 475 C VAL A 35 108.079 -7.905 0.070 1.00 1.61 C ATOM 476 O VAL A 35 108.841 -7.465 0.907 1.00 1.55 O ATOM 477 CB VAL A 35 110.020 -8.835 -1.257 1.00 1.77 C ATOM 478 CG1 VAL A 35 110.070 -9.901 -0.153 1.00 2.04 C ATOM 479 CG2 VAL A 35 110.361 -9.489 -2.602 1.00 2.19 C ATOM 0 H VAL A 35 109.190 -6.195 -1.669 1.00 1.59 H new ATOM 0 HA VAL A 35 107.947 -8.938 -1.832 1.00 1.69 H new ATOM 0 HB VAL A 35 110.738 -8.049 -1.023 1.00 1.77 H new ATOM 0 HG11 VAL A 35 111.073 -10.325 -0.102 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.820 -9.445 0.805 1.00 2.04 H new ATOM 0 HG13 VAL A 35 109.353 -10.691 -0.377 1.00 2.04 H new ATOM 0 HG21 VAL A 35 111.358 -9.926 -2.552 1.00 2.19 H new ATOM 0 HG22 VAL A 35 109.633 -10.270 -2.822 1.00 2.19 H new ATOM 0 HG23 VAL A 35 110.334 -8.736 -3.390 1.00 2.19 H new ATOM 489 N PRO A 36 106.792 -8.110 0.316 1.00 1.67 N ATOM 490 CA PRO A 36 106.223 -7.809 1.641 1.00 1.61 C ATOM 491 C PRO A 36 106.962 -8.608 2.718 1.00 1.61 C ATOM 492 O PRO A 36 107.279 -9.767 2.541 1.00 1.74 O ATOM 493 CB PRO A 36 104.732 -8.210 1.541 1.00 1.76 C ATOM 494 CG PRO A 36 104.454 -8.578 0.055 1.00 1.96 C ATOM 495 CD PRO A 36 105.818 -8.642 -0.666 1.00 1.85 C ATOM 0 HA PRO A 36 106.324 -6.760 1.919 1.00 1.61 H new ATOM 0 HB2 PRO A 36 104.516 -9.056 2.194 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.090 -7.389 1.861 1.00 1.76 H new ATOM 0 HG2 PRO A 36 103.938 -9.536 -0.013 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.808 -7.834 -0.411 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.065 -9.664 -0.954 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.811 -8.046 -1.579 1.00 1.85 H new ATOM 503 N ALA A 37 107.239 -7.989 3.835 1.00 1.53 N ATOM 504 CA ALA A 37 107.961 -8.701 4.931 1.00 1.62 C ATOM 505 C ALA A 37 107.458 -8.168 6.267 1.00 1.53 C ATOM 506 O ALA A 37 106.462 -7.474 6.327 1.00 1.52 O ATOM 507 CB ALA A 37 109.464 -8.443 4.809 1.00 1.69 C ATOM 0 H ALA A 37 106.996 -7.019 4.036 1.00 1.53 H new ATOM 0 HA ALA A 37 107.779 -9.774 4.863 1.00 1.62 H new ATOM 0 HB1 ALA A 37 109.989 -8.964 5.610 1.00 1.69 H new ATOM 0 HB2 ALA A 37 109.819 -8.808 3.845 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.657 -7.373 4.885 1.00 1.69 H new ATOM 513 N GLU A 38 108.124 -8.477 7.344 1.00 1.50 N ATOM 514 CA GLU A 38 107.643 -7.966 8.652 1.00 1.45 C ATOM 515 C GLU A 38 108.676 -8.202 9.744 1.00 1.50 C ATOM 516 O GLU A 38 109.650 -8.908 9.571 1.00 1.60 O ATOM 517 CB GLU A 38 106.335 -8.680 9.031 1.00 1.54 C ATOM 518 CG GLU A 38 106.629 -10.117 9.484 1.00 1.68 C ATOM 519 CD GLU A 38 105.330 -10.925 9.505 1.00 1.83 C ATOM 520 OE1 GLU A 38 104.536 -10.710 10.406 1.00 2.12 O ATOM 521 OE2 GLU A 38 105.152 -11.745 8.620 1.00 2.23 O ATOM 0 H GLU A 38 108.966 -9.052 7.374 1.00 1.50 H new ATOM 0 HA GLU A 38 107.473 -6.893 8.560 1.00 1.45 H new ATOM 0 HB2 GLU A 38 105.832 -8.135 9.830 1.00 1.54 H new ATOM 0 HB3 GLU A 38 105.657 -8.691 8.177 1.00 1.54 H new ATOM 0 HG2 GLU A 38 107.347 -10.582 8.809 1.00 1.68 H new ATOM 0 HG3 GLU A 38 107.081 -10.111 10.476 1.00 1.68 H new ATOM 528 N PHE A 39 108.434 -7.626 10.887 1.00 1.46 N ATOM 529 CA PHE A 39 109.347 -7.812 12.040 1.00 1.54 C ATOM 530 C PHE A 39 108.489 -7.900 13.293 1.00 1.53 C ATOM 531 O PHE A 39 107.275 -7.871 13.219 1.00 1.50 O ATOM 532 CB PHE A 39 110.344 -6.650 12.151 1.00 1.54 C ATOM 533 CG PHE A 39 109.658 -5.323 11.906 1.00 1.31 C ATOM 534 CD1 PHE A 39 109.203 -4.998 10.626 1.00 1.36 C ATOM 535 CD2 PHE A 39 109.495 -4.410 12.956 1.00 1.34 C ATOM 536 CE1 PHE A 39 108.582 -3.765 10.393 1.00 1.32 C ATOM 537 CE2 PHE A 39 108.877 -3.176 12.724 1.00 1.37 C ATOM 538 CZ PHE A 39 108.419 -2.854 11.442 1.00 1.30 C ATOM 0 H PHE A 39 107.630 -7.026 11.071 1.00 1.46 H new ATOM 0 HA PHE A 39 109.932 -8.722 11.909 1.00 1.54 H new ATOM 0 HB2 PHE A 39 110.800 -6.651 13.141 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.149 -6.786 11.429 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.330 -5.699 9.815 1.00 1.36 H new ATOM 0 HD2 PHE A 39 109.847 -4.659 13.946 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.229 -3.517 9.403 1.00 1.32 H new ATOM 0 HE2 PHE A 39 108.754 -2.473 13.534 1.00 1.37 H new ATOM 0 HZ PHE A 39 107.940 -1.903 11.262 1.00 1.30 H new ATOM 548 N SER A 40 109.101 -8.031 14.436 1.00 1.60 N ATOM 549 CA SER A 40 108.313 -8.157 15.707 1.00 1.61 C ATOM 550 C SER A 40 108.723 -7.091 16.719 1.00 1.59 C ATOM 551 O SER A 40 109.885 -6.788 16.903 1.00 1.64 O ATOM 552 CB SER A 40 108.549 -9.541 16.312 1.00 1.73 C ATOM 553 OG SER A 40 109.926 -9.684 16.634 1.00 2.37 O ATOM 0 H SER A 40 110.114 -8.057 14.552 1.00 1.60 H new ATOM 0 HA SER A 40 107.258 -8.020 15.471 1.00 1.61 H new ATOM 0 HB2 SER A 40 107.939 -9.668 17.207 1.00 1.73 H new ATOM 0 HB3 SER A 40 108.246 -10.315 15.607 1.00 1.73 H new ATOM 0 HG SER A 40 110.464 -9.584 15.821 1.00 2.37 H new ATOM 559 N ILE A 41 107.745 -6.533 17.376 1.00 1.54 N ATOM 560 CA ILE A 41 107.981 -5.477 18.399 1.00 1.54 C ATOM 561 C ILE A 41 107.209 -5.855 19.664 1.00 1.60 C ATOM 562 O ILE A 41 106.018 -6.090 19.605 1.00 1.65 O ATOM 563 CB ILE A 41 107.418 -4.160 17.865 1.00 1.45 C ATOM 564 CG1 ILE A 41 107.997 -3.876 16.467 1.00 1.47 C ATOM 565 CG2 ILE A 41 107.738 -3.014 18.830 1.00 1.50 C ATOM 566 CD1 ILE A 41 109.516 -3.648 16.517 1.00 1.34 C ATOM 0 H ILE A 41 106.763 -6.773 17.242 1.00 1.54 H new ATOM 0 HA ILE A 41 109.045 -5.379 18.615 1.00 1.54 H new ATOM 0 HB ILE A 41 106.334 -4.241 17.784 1.00 1.45 H new ATOM 0 HG12 ILE A 41 107.776 -4.713 15.805 1.00 1.47 H new ATOM 0 HG13 ILE A 41 107.511 -2.997 16.043 1.00 1.47 H new ATOM 0 HG21 ILE A 41 107.331 -2.083 18.437 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.293 -3.222 19.803 1.00 1.50 H new ATOM 0 HG23 ILE A 41 108.819 -2.921 18.938 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.888 -3.451 15.511 1.00 1.34 H new ATOM 0 HD12 ILE A 41 109.735 -2.795 17.159 1.00 1.34 H new ATOM 0 HD13 ILE A 41 110.004 -4.537 16.916 1.00 1.34 H new ATOM 578 N TRP A 42 107.851 -5.909 20.808 1.00 1.65 N ATOM 579 CA TRP A 42 107.102 -6.265 22.062 1.00 1.71 C ATOM 580 C TRP A 42 107.565 -5.366 23.206 1.00 1.77 C ATOM 581 O TRP A 42 108.726 -5.023 23.317 1.00 1.78 O ATOM 582 CB TRP A 42 107.293 -7.766 22.395 1.00 1.88 C ATOM 583 CG TRP A 42 108.521 -8.021 23.224 1.00 2.08 C ATOM 584 CD1 TRP A 42 108.696 -7.631 24.512 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.725 -8.755 22.856 1.00 2.36 C ATOM 586 NE1 TRP A 42 109.937 -8.061 24.944 1.00 2.89 N ATOM 587 CE2 TRP A 42 110.608 -8.760 23.961 1.00 2.64 C ATOM 588 CE3 TRP A 42 110.136 -9.404 21.677 1.00 3.00 C ATOM 589 CZ2 TRP A 42 111.852 -9.388 23.902 1.00 3.08 C ATOM 590 CZ3 TRP A 42 111.388 -10.038 21.613 1.00 3.68 C ATOM 591 CH2 TRP A 42 112.244 -10.030 22.724 1.00 3.56 C ATOM 0 H TRP A 42 108.847 -5.725 20.930 1.00 1.65 H new ATOM 0 HA TRP A 42 106.035 -6.100 21.912 1.00 1.71 H new ATOM 0 HB2 TRP A 42 106.416 -8.131 22.930 1.00 1.88 H new ATOM 0 HB3 TRP A 42 107.360 -8.335 21.468 1.00 1.88 H new ATOM 0 HD1 TRP A 42 107.983 -7.076 25.103 1.00 2.66 H new ATOM 0 HE1 TRP A 42 110.311 -7.883 25.876 1.00 2.89 H new ATOM 0 HE3 TRP A 42 109.485 -9.415 20.816 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 112.508 -9.378 24.760 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 111.693 -10.534 20.703 1.00 3.68 H new ATOM 0 HH2 TRP A 42 113.205 -10.519 22.669 1.00 3.56 H new ATOM 602 N THR A 43 106.651 -4.967 24.049 1.00 1.91 N ATOM 603 CA THR A 43 107.014 -4.071 25.182 1.00 2.07 C ATOM 604 C THR A 43 105.984 -4.219 26.304 1.00 1.92 C ATOM 605 O THR A 43 104.833 -4.531 26.072 1.00 2.17 O ATOM 606 CB THR A 43 107.029 -2.611 24.696 1.00 2.42 C ATOM 607 OG1 THR A 43 106.540 -1.767 25.725 1.00 2.72 O ATOM 608 CG2 THR A 43 106.141 -2.460 23.457 1.00 2.89 C ATOM 0 H THR A 43 105.665 -5.225 24.001 1.00 1.91 H new ATOM 0 HA THR A 43 108.001 -4.344 25.556 1.00 2.07 H new ATOM 0 HB THR A 43 108.051 -2.332 24.441 1.00 2.42 H new ATOM 0 HG1 THR A 43 105.569 -1.671 25.635 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.158 -1.423 23.121 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.513 -3.106 22.662 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.118 -2.744 23.706 1.00 2.89 H new ATOM 616 N ARG A 44 106.395 -3.987 27.520 1.00 1.96 N ATOM 617 CA ARG A 44 105.451 -4.101 28.666 1.00 1.92 C ATOM 618 C ARG A 44 106.105 -3.503 29.914 1.00 1.92 C ATOM 619 O ARG A 44 106.338 -4.188 30.890 1.00 2.18 O ATOM 620 CB ARG A 44 105.117 -5.575 28.926 1.00 2.09 C ATOM 621 CG ARG A 44 106.409 -6.418 28.948 1.00 2.62 C ATOM 622 CD ARG A 44 106.882 -6.767 27.518 1.00 3.00 C ATOM 623 NE ARG A 44 107.449 -8.153 27.505 1.00 3.63 N ATOM 624 CZ ARG A 44 108.326 -8.534 28.396 1.00 4.14 C ATOM 625 NH1 ARG A 44 108.860 -7.670 29.213 1.00 4.51 N ATOM 626 NH2 ARG A 44 108.708 -9.781 28.434 1.00 4.63 N ATOM 0 H ARG A 44 107.348 -3.722 27.770 1.00 1.96 H new ATOM 0 HA ARG A 44 104.532 -3.563 28.432 1.00 1.92 H new ATOM 0 HB2 ARG A 44 104.593 -5.675 29.877 1.00 2.09 H new ATOM 0 HB3 ARG A 44 104.445 -5.945 28.151 1.00 2.09 H new ATOM 0 HG2 ARG A 44 107.194 -5.869 29.468 1.00 2.62 H new ATOM 0 HG3 ARG A 44 106.236 -7.336 29.509 1.00 2.62 H new ATOM 0 HD2 ARG A 44 106.048 -6.697 26.820 1.00 3.00 H new ATOM 0 HD3 ARG A 44 107.635 -6.051 27.187 1.00 3.00 H new ATOM 0 HE ARG A 44 107.145 -8.812 26.788 1.00 3.63 H new ATOM 0 HH11 ARG A 44 108.594 -6.687 29.160 1.00 4.51 H new ATOM 0 HH12 ARG A 44 109.544 -7.977 29.905 1.00 4.51 H new ATOM 0 HH21 ARG A 44 108.322 -10.453 27.770 1.00 4.63 H new ATOM 0 HH22 ARG A 44 109.392 -10.084 29.127 1.00 4.63 H new ATOM 640 N GLU A 45 106.409 -2.231 29.893 1.00 1.87 N ATOM 641 CA GLU A 45 107.054 -1.601 31.084 1.00 1.94 C ATOM 642 C GLU A 45 106.767 -0.095 31.101 1.00 1.84 C ATOM 643 O GLU A 45 106.181 0.418 32.033 1.00 1.87 O ATOM 644 CB GLU A 45 108.565 -1.835 31.027 1.00 2.09 C ATOM 645 CG GLU A 45 109.183 -1.534 32.395 1.00 2.37 C ATOM 646 CD GLU A 45 110.707 -1.620 32.298 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.312 -0.644 31.885 1.00 2.89 O ATOM 648 OE2 GLU A 45 111.245 -2.661 32.640 1.00 2.73 O ATOM 0 H GLU A 45 106.240 -1.604 29.107 1.00 1.87 H new ATOM 0 HA GLU A 45 106.648 -2.050 31.991 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.773 -2.866 30.742 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.014 -1.197 30.266 1.00 2.09 H new ATOM 0 HG2 GLU A 45 108.885 -0.540 32.729 1.00 2.37 H new ATOM 0 HG3 GLU A 45 108.815 -2.244 33.136 1.00 2.37 H new ATOM 655 N ALA A 46 107.176 0.624 30.087 1.00 1.74 N ATOM 656 CA ALA A 46 106.917 2.094 30.077 1.00 1.71 C ATOM 657 C ALA A 46 105.409 2.343 30.142 1.00 1.64 C ATOM 658 O ALA A 46 104.952 3.313 30.714 1.00 1.71 O ATOM 659 CB ALA A 46 107.483 2.724 28.804 1.00 1.66 C ATOM 0 H ALA A 46 107.673 0.261 29.274 1.00 1.74 H new ATOM 0 HA ALA A 46 107.404 2.546 30.941 1.00 1.71 H new ATOM 0 HB1 ALA A 46 107.287 3.796 28.810 1.00 1.66 H new ATOM 0 HB2 ALA A 46 108.558 2.552 28.760 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.008 2.273 27.933 1.00 1.66 H new ATOM 665 N GLY A 47 104.630 1.467 29.561 1.00 1.60 N ATOM 666 CA GLY A 47 103.145 1.638 29.587 1.00 1.58 C ATOM 667 C GLY A 47 102.677 2.344 28.312 1.00 1.42 C ATOM 668 O GLY A 47 103.341 2.320 27.295 1.00 1.37 O ATOM 0 H GLY A 47 104.959 0.637 29.068 1.00 1.60 H new ATOM 0 HA2 GLY A 47 102.660 0.666 29.673 1.00 1.58 H new ATOM 0 HA3 GLY A 47 102.853 2.218 30.462 1.00 1.58 H new ATOM 672 N ALA A 48 101.530 2.966 28.361 1.00 1.40 N ATOM 673 CA ALA A 48 100.999 3.671 27.159 1.00 1.27 C ATOM 674 C ALA A 48 102.042 4.656 26.623 1.00 1.21 C ATOM 675 O ALA A 48 102.983 5.015 27.302 1.00 1.37 O ATOM 676 CB ALA A 48 99.732 4.438 27.543 1.00 1.32 C ATOM 0 H ALA A 48 100.934 3.016 29.187 1.00 1.40 H new ATOM 0 HA ALA A 48 100.771 2.937 26.386 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.340 4.955 26.667 1.00 1.32 H new ATOM 0 HB2 ALA A 48 98.983 3.740 27.917 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.969 5.166 28.319 1.00 1.32 H new ATOM 682 N GLY A 49 101.874 5.096 25.404 1.00 1.04 N ATOM 683 CA GLY A 49 102.844 6.060 24.811 1.00 1.02 C ATOM 684 C GLY A 49 102.470 6.318 23.349 1.00 0.87 C ATOM 685 O GLY A 49 101.387 5.982 22.910 1.00 0.71 O ATOM 0 H GLY A 49 101.103 4.828 24.792 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.834 6.995 25.371 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.856 5.661 24.875 1.00 1.02 H new ATOM 689 N GLY A 50 103.361 6.910 22.590 1.00 0.98 N ATOM 690 CA GLY A 50 103.070 7.194 21.148 1.00 0.86 C ATOM 691 C GLY A 50 104.260 6.744 20.303 1.00 0.86 C ATOM 692 O GLY A 50 105.364 7.223 20.467 1.00 1.06 O ATOM 0 H GLY A 50 104.282 7.210 22.909 1.00 0.98 H new ATOM 0 HA2 GLY A 50 102.167 6.670 20.836 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.887 8.259 21.003 1.00 0.86 H new ATOM 696 N LEU A 51 104.045 5.824 19.397 1.00 0.74 N ATOM 697 CA LEU A 51 105.164 5.334 18.536 1.00 0.75 C ATOM 698 C LEU A 51 105.079 6.015 17.177 1.00 0.68 C ATOM 699 O LEU A 51 104.251 5.669 16.371 1.00 0.60 O ATOM 700 CB LEU A 51 105.031 3.817 18.360 1.00 0.74 C ATOM 701 CG LEU A 51 106.237 3.256 17.589 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.508 3.312 18.456 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.943 1.802 17.202 1.00 0.77 C ATOM 0 H LEU A 51 103.140 5.390 19.216 1.00 0.74 H new ATOM 0 HA LEU A 51 106.123 5.565 19.000 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.961 3.337 19.336 1.00 0.74 H new ATOM 0 HB3 LEU A 51 104.110 3.587 17.824 1.00 0.74 H new ATOM 0 HG LEU A 51 106.403 3.858 16.696 1.00 0.81 H new ATOM 0 HD11 LEU A 51 108.351 2.911 17.893 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.715 4.346 18.731 1.00 1.10 H new ATOM 0 HD13 LEU A 51 107.359 2.719 19.358 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.792 1.393 16.654 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.774 1.213 18.103 1.00 0.77 H new ATOM 0 HD23 LEU A 51 105.053 1.766 16.573 1.00 0.77 H new ATOM 715 N SER A 52 105.936 6.974 16.923 1.00 0.75 N ATOM 716 CA SER A 52 105.927 7.688 15.609 1.00 0.71 C ATOM 717 C SER A 52 106.877 6.965 14.651 1.00 0.70 C ATOM 718 O SER A 52 107.914 6.490 15.067 1.00 0.78 O ATOM 719 CB SER A 52 106.412 9.124 15.814 1.00 0.82 C ATOM 720 OG SER A 52 106.681 9.714 14.548 1.00 1.56 O ATOM 0 H SER A 52 106.649 7.295 17.578 1.00 0.75 H new ATOM 0 HA SER A 52 104.918 7.700 15.196 1.00 0.71 H new ATOM 0 HB2 SER A 52 105.656 9.703 16.345 1.00 0.82 H new ATOM 0 HB3 SER A 52 107.311 9.132 16.430 1.00 0.82 H new ATOM 0 HG SER A 52 106.990 10.635 14.675 1.00 1.56 H new ATOM 726 N ILE A 53 106.545 6.869 13.375 1.00 0.61 N ATOM 727 CA ILE A 53 107.452 6.166 12.411 1.00 0.61 C ATOM 728 C ILE A 53 107.636 7.026 11.161 1.00 0.57 C ATOM 729 O ILE A 53 106.772 7.096 10.310 1.00 0.65 O ATOM 730 CB ILE A 53 106.835 4.825 12.013 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.540 4.005 13.272 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.814 4.058 11.123 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.734 2.761 12.896 1.00 0.64 C ATOM 0 H ILE A 53 105.689 7.246 12.968 1.00 0.61 H new ATOM 0 HA ILE A 53 108.419 5.998 12.885 1.00 0.61 H new ATOM 0 HB ILE A 53 105.908 4.999 11.467 1.00 0.56 H new ATOM 0 HG12 ILE A 53 107.472 3.714 13.756 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.984 4.608 13.989 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.375 3.102 10.839 1.00 0.63 H new ATOM 0 HG22 ILE A 53 108.024 4.641 10.227 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.741 3.883 11.668 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.525 2.178 13.793 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.795 3.062 12.432 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.307 2.154 12.195 1.00 0.64 H new ATOM 745 N ALA A 54 108.764 7.673 11.039 1.00 0.60 N ATOM 746 CA ALA A 54 109.023 8.523 9.843 1.00 0.57 C ATOM 747 C ALA A 54 109.770 7.690 8.805 1.00 0.54 C ATOM 748 O ALA A 54 110.941 7.400 8.951 1.00 0.63 O ATOM 749 CB ALA A 54 109.879 9.725 10.247 1.00 0.69 C ATOM 0 H ALA A 54 109.522 7.648 11.722 1.00 0.60 H new ATOM 0 HA ALA A 54 108.081 8.879 9.427 1.00 0.57 H new ATOM 0 HB1 ALA A 54 110.069 10.347 9.372 1.00 0.69 H new ATOM 0 HB2 ALA A 54 109.352 10.310 11.001 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.827 9.376 10.656 1.00 0.69 H new ATOM 755 N VAL A 55 109.095 7.298 7.761 1.00 0.45 N ATOM 756 CA VAL A 55 109.746 6.471 6.699 1.00 0.47 C ATOM 757 C VAL A 55 110.156 7.371 5.531 1.00 0.41 C ATOM 758 O VAL A 55 109.443 8.277 5.150 1.00 0.39 O ATOM 759 CB VAL A 55 108.752 5.401 6.192 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.932 4.096 6.978 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.314 5.902 6.373 1.00 0.79 C ATOM 0 H VAL A 55 108.113 7.515 7.594 1.00 0.45 H new ATOM 0 HA VAL A 55 110.628 5.982 7.113 1.00 0.47 H new ATOM 0 HB VAL A 55 108.948 5.216 5.136 1.00 0.47 H new ATOM 0 HG11 VAL A 55 108.226 3.350 6.612 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.950 3.729 6.845 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.748 4.280 8.036 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.617 5.145 6.014 1.00 0.79 H new ATOM 0 HG22 VAL A 55 107.127 6.097 7.429 1.00 0.79 H new ATOM 0 HG23 VAL A 55 107.175 6.822 5.804 1.00 0.79 H new ATOM 771 N GLU A 56 111.291 7.106 4.944 1.00 0.44 N ATOM 772 CA GLU A 56 111.748 7.918 3.779 1.00 0.40 C ATOM 773 C GLU A 56 112.406 6.962 2.780 1.00 0.43 C ATOM 774 O GLU A 56 113.039 5.999 3.162 1.00 0.52 O ATOM 775 CB GLU A 56 112.731 8.999 4.262 1.00 0.47 C ATOM 776 CG GLU A 56 113.579 9.512 3.092 1.00 0.49 C ATOM 777 CD GLU A 56 114.298 10.797 3.506 1.00 1.08 C ATOM 778 OE1 GLU A 56 114.693 10.887 4.657 1.00 1.71 O ATOM 779 OE2 GLU A 56 114.443 11.669 2.665 1.00 1.80 O ATOM 0 H GLU A 56 111.926 6.358 5.223 1.00 0.44 H new ATOM 0 HA GLU A 56 110.915 8.428 3.295 1.00 0.40 H new ATOM 0 HB2 GLU A 56 112.180 9.826 4.710 1.00 0.47 H new ATOM 0 HB3 GLU A 56 113.379 8.590 5.037 1.00 0.47 H new ATOM 0 HG2 GLU A 56 114.306 8.755 2.797 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.945 9.701 2.225 1.00 0.49 H new ATOM 786 N GLY A 57 112.248 7.200 1.507 1.00 0.41 N ATOM 787 CA GLY A 57 112.851 6.281 0.504 1.00 0.49 C ATOM 788 C GLY A 57 112.210 6.530 -0.870 1.00 0.45 C ATOM 789 O GLY A 57 111.450 7.461 -1.024 1.00 0.44 O ATOM 0 H GLY A 57 111.729 7.988 1.120 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.928 6.441 0.449 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.698 5.245 0.806 1.00 0.49 H new ATOM 793 N PRO A 58 112.545 5.696 -1.835 1.00 0.50 N ATOM 794 CA PRO A 58 112.009 5.826 -3.209 1.00 0.52 C ATOM 795 C PRO A 58 110.489 5.621 -3.259 1.00 0.54 C ATOM 796 O PRO A 58 109.813 6.224 -4.069 1.00 0.56 O ATOM 797 CB PRO A 58 112.732 4.732 -4.023 1.00 0.63 C ATOM 798 CG PRO A 58 113.727 4.014 -3.064 1.00 0.66 C ATOM 799 CD PRO A 58 113.492 4.577 -1.645 1.00 0.60 C ATOM 0 HA PRO A 58 112.181 6.827 -3.605 1.00 0.52 H new ATOM 0 HB2 PRO A 58 112.014 4.021 -4.432 1.00 0.63 H new ATOM 0 HB3 PRO A 58 113.263 5.171 -4.868 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.565 2.936 -3.081 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.756 4.187 -3.380 1.00 0.66 H new ATOM 0 HD2 PRO A 58 113.079 3.817 -0.981 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.424 4.920 -1.196 1.00 0.60 H new ATOM 807 N SER A 59 109.946 4.774 -2.424 1.00 0.56 N ATOM 808 CA SER A 59 108.465 4.535 -2.453 1.00 0.60 C ATOM 809 C SER A 59 107.911 4.529 -1.032 1.00 0.55 C ATOM 810 O SER A 59 108.615 4.270 -0.076 1.00 0.55 O ATOM 811 CB SER A 59 108.182 3.188 -3.116 1.00 0.71 C ATOM 812 OG SER A 59 108.409 3.299 -4.515 1.00 1.55 O ATOM 0 H SER A 59 110.458 4.237 -1.724 1.00 0.56 H new ATOM 0 HA SER A 59 107.984 5.332 -3.020 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.825 2.418 -2.691 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.153 2.884 -2.925 1.00 0.71 H new ATOM 0 HG SER A 59 107.637 2.941 -5.001 1.00 1.55 H new ATOM 818 N LYS A 60 106.648 4.819 -0.892 1.00 0.59 N ATOM 819 CA LYS A 60 106.030 4.839 0.460 1.00 0.57 C ATOM 820 C LYS A 60 105.851 3.408 0.963 1.00 0.63 C ATOM 821 O LYS A 60 104.884 2.743 0.647 1.00 0.73 O ATOM 822 CB LYS A 60 104.669 5.533 0.382 1.00 0.63 C ATOM 823 CG LYS A 60 104.017 5.534 1.764 1.00 1.23 C ATOM 824 CD LYS A 60 102.762 6.409 1.737 1.00 1.29 C ATOM 825 CE LYS A 60 102.037 6.306 3.081 1.00 1.87 C ATOM 826 NZ LYS A 60 100.658 6.853 2.945 1.00 2.53 N ATOM 0 H LYS A 60 106.016 5.044 -1.660 1.00 0.59 H new ATOM 0 HA LYS A 60 106.676 5.382 1.150 1.00 0.57 H new ATOM 0 HB2 LYS A 60 104.790 6.556 0.025 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.028 5.019 -0.334 1.00 0.63 H new ATOM 0 HG2 LYS A 60 103.757 4.516 2.056 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.719 5.910 2.508 1.00 1.23 H new ATOM 0 HD2 LYS A 60 103.033 7.446 1.537 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.101 6.091 0.930 1.00 1.29 H new ATOM 0 HE2 LYS A 60 101.997 5.266 3.406 1.00 1.87 H new ATOM 0 HE3 LYS A 60 102.585 6.858 3.845 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 100.165 6.783 3.858 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 100.707 7.850 2.654 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 100.138 6.308 2.228 1.00 2.53 H new ATOM 840 N ALA A 61 106.777 2.929 1.747 1.00 0.66 N ATOM 841 CA ALA A 61 106.661 1.543 2.273 1.00 0.76 C ATOM 842 C ALA A 61 105.391 1.426 3.116 1.00 0.77 C ATOM 843 O ALA A 61 105.193 2.167 4.058 1.00 0.78 O ATOM 844 CB ALA A 61 107.881 1.221 3.139 1.00 0.82 C ATOM 0 H ALA A 61 107.609 3.439 2.045 1.00 0.66 H new ATOM 0 HA ALA A 61 106.613 0.840 1.441 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.796 0.205 3.524 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.786 1.306 2.538 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.931 1.922 3.972 1.00 0.82 H new ATOM 850 N GLU A 62 104.527 0.505 2.786 1.00 0.88 N ATOM 851 CA GLU A 62 103.274 0.357 3.576 1.00 0.93 C ATOM 852 C GLU A 62 103.611 -0.222 4.950 1.00 0.96 C ATOM 853 O GLU A 62 104.720 -0.634 5.200 1.00 1.43 O ATOM 854 CB GLU A 62 102.297 -0.573 2.834 1.00 1.11 C ATOM 855 CG GLU A 62 100.860 -0.331 3.313 1.00 1.50 C ATOM 856 CD GLU A 62 99.891 -1.088 2.404 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.169 -2.235 2.098 1.00 2.14 O ATOM 858 OE2 GLU A 62 98.886 -0.506 2.028 1.00 2.30 O ATOM 0 H GLU A 62 104.634 -0.147 2.009 1.00 0.88 H new ATOM 0 HA GLU A 62 102.802 1.332 3.702 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.363 -0.398 1.760 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.574 -1.613 3.005 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.747 -0.666 4.344 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.634 0.735 3.298 1.00 1.50 H new ATOM 865 N ILE A 63 102.656 -0.251 5.838 1.00 0.97 N ATOM 866 CA ILE A 63 102.886 -0.798 7.208 1.00 0.94 C ATOM 867 C ILE A 63 101.633 -1.582 7.612 1.00 1.01 C ATOM 868 O ILE A 63 100.547 -1.282 7.158 1.00 1.06 O ATOM 869 CB ILE A 63 103.111 0.360 8.193 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.483 0.995 7.935 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.060 -0.167 9.631 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.606 2.297 8.729 1.00 1.40 C ATOM 0 H ILE A 63 101.708 0.087 5.670 1.00 0.97 H new ATOM 0 HA ILE A 63 103.763 -1.445 7.222 1.00 0.94 H new ATOM 0 HB ILE A 63 102.330 1.107 8.052 1.00 0.89 H new ATOM 0 HG12 ILE A 63 105.275 0.304 8.226 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.608 1.194 6.871 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.220 0.657 10.326 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.085 -0.617 9.819 1.00 1.28 H new ATOM 0 HG23 ILE A 63 103.839 -0.917 9.772 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.582 2.746 8.543 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.824 2.989 8.417 1.00 1.40 H new ATOM 0 HD13 ILE A 63 104.500 2.086 9.793 1.00 1.40 H new ATOM 884 N ALA A 64 101.750 -2.579 8.458 1.00 1.04 N ATOM 885 CA ALA A 64 100.527 -3.342 8.856 1.00 1.13 C ATOM 886 C ALA A 64 100.705 -3.880 10.279 1.00 1.14 C ATOM 887 O ALA A 64 101.530 -4.732 10.526 1.00 1.36 O ATOM 888 CB ALA A 64 100.303 -4.502 7.860 1.00 1.26 C ATOM 0 H ALA A 64 102.623 -2.892 8.883 1.00 1.04 H new ATOM 0 HA ALA A 64 99.655 -2.688 8.836 1.00 1.13 H new ATOM 0 HB1 ALA A 64 99.412 -5.061 8.147 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.171 -4.099 6.856 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.168 -5.166 7.874 1.00 1.26 H new ATOM 894 N PHE A 65 99.929 -3.395 11.211 1.00 1.16 N ATOM 895 CA PHE A 65 100.051 -3.880 12.617 1.00 1.16 C ATOM 896 C PHE A 65 99.176 -5.119 12.813 1.00 1.28 C ATOM 897 O PHE A 65 97.989 -5.100 12.553 1.00 1.35 O ATOM 898 CB PHE A 65 99.596 -2.777 13.576 1.00 1.11 C ATOM 899 CG PHE A 65 98.165 -2.404 13.275 1.00 1.20 C ATOM 900 CD1 PHE A 65 97.882 -1.461 12.280 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.120 -3.000 13.991 1.00 1.30 C ATOM 902 CE1 PHE A 65 96.554 -1.114 12.001 1.00 1.37 C ATOM 903 CE2 PHE A 65 95.793 -2.654 13.712 1.00 1.43 C ATOM 904 CZ PHE A 65 95.510 -1.710 12.718 1.00 1.47 C ATOM 0 H PHE A 65 99.215 -2.683 11.059 1.00 1.16 H new ATOM 0 HA PHE A 65 101.090 -4.137 12.822 1.00 1.16 H new ATOM 0 HB2 PHE A 65 99.684 -3.118 14.607 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.240 -1.903 13.473 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.688 -1.001 11.727 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.338 -3.727 14.759 1.00 1.30 H new ATOM 0 HE1 PHE A 65 96.336 -0.387 11.233 1.00 1.37 H new ATOM 0 HE2 PHE A 65 94.987 -3.115 14.264 1.00 1.43 H new ATOM 0 HZ PHE A 65 94.486 -1.441 12.504 1.00 1.47 H new ATOM 914 N GLU A 66 99.755 -6.197 13.274 1.00 1.35 N ATOM 915 CA GLU A 66 98.966 -7.448 13.497 1.00 1.50 C ATOM 916 C GLU A 66 99.451 -8.128 14.779 1.00 1.54 C ATOM 917 O GLU A 66 100.461 -8.803 14.793 1.00 1.61 O ATOM 918 CB GLU A 66 99.167 -8.395 12.312 1.00 1.62 C ATOM 919 CG GLU A 66 98.338 -9.663 12.526 1.00 1.80 C ATOM 920 CD GLU A 66 98.305 -10.476 11.230 1.00 1.94 C ATOM 921 OE1 GLU A 66 98.462 -9.882 10.176 1.00 2.01 O ATOM 922 OE2 GLU A 66 98.125 -11.680 11.314 1.00 2.51 O ATOM 0 H GLU A 66 100.746 -6.266 13.507 1.00 1.35 H new ATOM 0 HA GLU A 66 97.908 -7.202 13.590 1.00 1.50 H new ATOM 0 HB2 GLU A 66 98.868 -7.904 11.386 1.00 1.62 H new ATOM 0 HB3 GLU A 66 100.222 -8.650 12.211 1.00 1.62 H new ATOM 0 HG2 GLU A 66 98.767 -10.259 13.331 1.00 1.80 H new ATOM 0 HG3 GLU A 66 97.324 -9.401 12.829 1.00 1.80 H new ATOM 1006 N SER A 72 103.201 -9.324 21.642 1.00 1.78 N ATOM 1007 CA SER A 72 104.179 -9.080 20.536 1.00 1.72 C ATOM 1008 C SER A 72 103.478 -8.364 19.379 1.00 1.60 C ATOM 1009 O SER A 72 102.610 -8.914 18.731 1.00 1.64 O ATOM 1010 CB SER A 72 104.727 -10.420 20.042 1.00 1.82 C ATOM 1011 OG SER A 72 105.634 -10.190 18.972 1.00 2.20 O ATOM 0 HA SER A 72 104.996 -8.460 20.905 1.00 1.72 H new ATOM 0 HB2 SER A 72 105.231 -10.942 20.855 1.00 1.82 H new ATOM 0 HB3 SER A 72 103.910 -11.060 19.710 1.00 1.82 H new ATOM 0 HG SER A 72 105.988 -11.046 18.654 1.00 2.20 H new ATOM 1017 N CYS A 73 103.849 -7.138 19.115 1.00 1.50 N ATOM 1018 CA CYS A 73 103.207 -6.382 17.999 1.00 1.40 C ATOM 1019 C CYS A 73 103.955 -6.663 16.693 1.00 1.37 C ATOM 1020 O CYS A 73 105.102 -6.296 16.531 1.00 1.39 O ATOM 1021 CB CYS A 73 103.259 -4.883 18.306 1.00 1.31 C ATOM 1022 SG CYS A 73 101.989 -4.474 19.529 1.00 2.05 S ATOM 0 H CYS A 73 104.570 -6.627 19.625 1.00 1.50 H new ATOM 0 HA CYS A 73 102.169 -6.697 17.895 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.245 -4.612 18.685 1.00 1.31 H new ATOM 0 HB3 CYS A 73 103.099 -4.308 17.394 1.00 1.31 H new ATOM 0 HG CYS A 73 102.034 -3.202 19.792 1.00 2.05 H new ATOM 1028 N GLY A 74 103.311 -7.310 15.757 1.00 1.39 N ATOM 1029 CA GLY A 74 103.974 -7.617 14.454 1.00 1.38 C ATOM 1030 C GLY A 74 103.639 -6.515 13.449 1.00 1.28 C ATOM 1031 O GLY A 74 102.492 -6.299 13.112 1.00 1.26 O ATOM 0 H GLY A 74 102.350 -7.641 15.839 1.00 1.39 H new ATOM 0 HA2 GLY A 74 105.053 -7.687 14.589 1.00 1.38 H new ATOM 0 HA3 GLY A 74 103.636 -8.583 14.079 1.00 1.38 H new ATOM 1035 N VAL A 75 104.637 -5.815 12.970 1.00 1.25 N ATOM 1036 CA VAL A 75 104.397 -4.709 11.978 1.00 1.16 C ATOM 1037 C VAL A 75 104.866 -5.169 10.595 1.00 1.20 C ATOM 1038 O VAL A 75 106.049 -5.240 10.318 1.00 1.25 O ATOM 1039 CB VAL A 75 105.171 -3.427 12.412 1.00 1.11 C ATOM 1040 CG1 VAL A 75 104.190 -2.286 12.719 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.996 -3.712 13.670 1.00 1.57 C ATOM 0 H VAL A 75 105.615 -5.959 13.222 1.00 1.25 H new ATOM 0 HA VAL A 75 103.333 -4.473 11.940 1.00 1.16 H new ATOM 0 HB VAL A 75 105.828 -3.135 11.593 1.00 1.11 H new ATOM 0 HG11 VAL A 75 104.747 -1.399 13.020 1.00 1.31 H new ATOM 0 HG12 VAL A 75 103.603 -2.061 11.828 1.00 1.31 H new ATOM 0 HG13 VAL A 75 103.523 -2.587 13.526 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.533 -2.810 13.965 1.00 1.57 H new ATOM 0 HG22 VAL A 75 105.333 -4.020 14.478 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.711 -4.509 13.464 1.00 1.57 H new ATOM 1051 N SER A 76 103.943 -5.473 9.720 1.00 1.22 N ATOM 1052 CA SER A 76 104.324 -5.913 8.348 1.00 1.29 C ATOM 1053 C SER A 76 104.427 -4.678 7.453 1.00 1.19 C ATOM 1054 O SER A 76 103.764 -3.691 7.680 1.00 1.20 O ATOM 1055 CB SER A 76 103.265 -6.876 7.799 1.00 1.40 C ATOM 1056 OG SER A 76 102.792 -7.704 8.854 1.00 1.85 O ATOM 0 H SER A 76 102.939 -5.435 9.898 1.00 1.22 H new ATOM 0 HA SER A 76 105.283 -6.431 8.373 1.00 1.29 H new ATOM 0 HB2 SER A 76 102.438 -6.315 7.362 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.690 -7.488 7.004 1.00 1.40 H new ATOM 0 HG SER A 76 102.113 -8.320 8.507 1.00 1.85 H new ATOM 1062 N TYR A 77 105.262 -4.717 6.447 1.00 1.21 N ATOM 1063 CA TYR A 77 105.419 -3.529 5.549 1.00 1.12 C ATOM 1064 C TYR A 77 105.694 -4.006 4.120 1.00 1.20 C ATOM 1065 O TYR A 77 105.868 -5.184 3.879 1.00 1.43 O ATOM 1066 CB TYR A 77 106.611 -2.692 6.040 1.00 1.07 C ATOM 1067 CG TYR A 77 107.892 -3.477 5.847 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.151 -4.598 6.642 1.00 1.33 C ATOM 1069 CD2 TYR A 77 108.812 -3.090 4.863 1.00 1.18 C ATOM 1070 CE1 TYR A 77 109.328 -5.331 6.457 1.00 1.47 C ATOM 1071 CE2 TYR A 77 109.989 -3.824 4.677 1.00 1.28 C ATOM 1072 CZ TYR A 77 110.247 -4.945 5.473 1.00 1.39 C ATOM 1073 OH TYR A 77 111.407 -5.670 5.290 1.00 1.54 O ATOM 0 H TYR A 77 105.843 -5.520 6.207 1.00 1.21 H new ATOM 0 HA TYR A 77 104.509 -2.929 5.564 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.661 -1.753 5.489 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.482 -2.438 7.092 1.00 1.07 H new ATOM 0 HD1 TYR A 77 107.442 -4.898 7.399 1.00 1.33 H new ATOM 0 HD2 TYR A 77 108.613 -2.225 4.248 1.00 1.18 H new ATOM 0 HE1 TYR A 77 109.528 -6.195 7.073 1.00 1.47 H new ATOM 0 HE2 TYR A 77 110.698 -3.525 3.919 1.00 1.28 H new ATOM 0 HH TYR A 77 111.933 -5.268 4.567 1.00 1.54 H new ATOM 1083 N VAL A 78 105.747 -3.105 3.165 1.00 1.13 N ATOM 1084 CA VAL A 78 106.027 -3.540 1.754 1.00 1.21 C ATOM 1085 C VAL A 78 106.851 -2.476 1.012 1.00 1.14 C ATOM 1086 O VAL A 78 106.410 -1.368 0.795 1.00 1.11 O ATOM 1087 CB VAL A 78 104.696 -3.793 1.021 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.038 -2.463 0.621 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.957 -4.634 -0.235 1.00 1.90 C ATOM 0 H VAL A 78 105.611 -2.103 3.296 1.00 1.13 H new ATOM 0 HA VAL A 78 106.607 -4.463 1.776 1.00 1.21 H new ATOM 0 HB VAL A 78 104.023 -4.328 1.691 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.099 -2.662 0.104 1.00 1.81 H new ATOM 0 HG12 VAL A 78 103.842 -1.871 1.515 1.00 1.81 H new ATOM 0 HG13 VAL A 78 104.706 -1.911 -0.040 1.00 1.81 H new ATOM 0 HG21 VAL A 78 104.016 -4.814 -0.755 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.640 -4.099 -0.895 1.00 1.90 H new ATOM 0 HG23 VAL A 78 105.401 -5.587 0.051 1.00 1.90 H new ATOM 1099 N VAL A 79 108.048 -2.819 0.609 1.00 1.17 N ATOM 1100 CA VAL A 79 108.906 -1.845 -0.134 1.00 1.11 C ATOM 1101 C VAL A 79 108.650 -2.008 -1.632 1.00 1.15 C ATOM 1102 O VAL A 79 108.292 -3.073 -2.090 1.00 1.24 O ATOM 1103 CB VAL A 79 110.377 -2.130 0.167 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.700 -1.689 1.600 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.641 -3.631 0.020 1.00 1.27 C ATOM 0 H VAL A 79 108.470 -3.735 0.763 1.00 1.17 H new ATOM 0 HA VAL A 79 108.667 -0.827 0.175 1.00 1.11 H new ATOM 0 HB VAL A 79 111.008 -1.579 -0.531 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.749 -1.892 1.815 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.508 -0.621 1.704 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.073 -2.240 2.300 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.689 -3.839 0.234 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.012 -4.181 0.720 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.410 -3.943 -0.998 1.00 1.27 H new ATOM 1115 N GLN A 80 108.815 -0.964 -2.403 1.00 1.10 N ATOM 1116 CA GLN A 80 108.556 -1.071 -3.870 1.00 1.15 C ATOM 1117 C GLN A 80 109.851 -1.368 -4.631 1.00 1.17 C ATOM 1118 O GLN A 80 109.880 -2.223 -5.492 1.00 1.25 O ATOM 1119 CB GLN A 80 107.962 0.251 -4.374 1.00 1.11 C ATOM 1120 CG GLN A 80 107.245 0.022 -5.708 1.00 1.18 C ATOM 1121 CD GLN A 80 105.937 -0.733 -5.462 1.00 1.80 C ATOM 1122 OE1 GLN A 80 105.719 -1.791 -6.017 1.00 2.47 O ATOM 1123 NE2 GLN A 80 105.052 -0.231 -4.645 1.00 2.48 N ATOM 0 H GLN A 80 109.117 -0.044 -2.081 1.00 1.10 H new ATOM 0 HA GLN A 80 107.857 -1.889 -4.043 1.00 1.15 H new ATOM 0 HB2 GLN A 80 107.263 0.650 -3.639 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.752 0.992 -4.498 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.040 0.977 -6.192 1.00 1.18 H new ATOM 0 HG3 GLN A 80 107.884 -0.547 -6.383 1.00 1.18 H new ATOM 0 HE21 GLN A 80 105.235 0.658 -4.179 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.178 -0.727 -4.473 1.00 2.48 H new ATOM 1132 N GLU A 81 110.922 -0.663 -4.351 1.00 1.11 N ATOM 1133 CA GLU A 81 112.193 -0.921 -5.110 1.00 1.13 C ATOM 1134 C GLU A 81 113.431 -0.526 -4.270 1.00 1.07 C ATOM 1135 O GLU A 81 113.358 0.392 -3.478 1.00 0.98 O ATOM 1136 CB GLU A 81 112.202 -0.068 -6.393 1.00 1.11 C ATOM 1137 CG GLU A 81 111.105 -0.513 -7.372 1.00 1.43 C ATOM 1138 CD GLU A 81 111.256 -2.000 -7.708 1.00 1.37 C ATOM 1139 OE1 GLU A 81 112.382 -2.437 -7.880 1.00 1.92 O ATOM 1140 OE2 GLU A 81 110.243 -2.675 -7.787 1.00 1.65 O ATOM 0 H GLU A 81 110.974 0.069 -3.642 1.00 1.11 H new ATOM 0 HA GLU A 81 112.236 -1.985 -5.343 1.00 1.13 H new ATOM 0 HB2 GLU A 81 112.057 0.981 -6.135 1.00 1.11 H new ATOM 0 HB3 GLU A 81 113.176 -0.146 -6.876 1.00 1.11 H new ATOM 0 HG2 GLU A 81 110.123 -0.331 -6.935 1.00 1.43 H new ATOM 0 HG3 GLU A 81 111.162 0.080 -8.285 1.00 1.43 H new ATOM 1147 N PRO A 82 114.551 -1.210 -4.490 1.00 1.14 N ATOM 1148 CA PRO A 82 115.818 -0.919 -3.793 1.00 1.14 C ATOM 1149 C PRO A 82 116.049 0.560 -3.549 1.00 1.00 C ATOM 1150 O PRO A 82 115.432 1.424 -4.140 1.00 0.91 O ATOM 1151 CB PRO A 82 116.881 -1.501 -4.724 1.00 1.23 C ATOM 1152 CG PRO A 82 116.183 -2.664 -5.444 1.00 1.30 C ATOM 1153 CD PRO A 82 114.674 -2.346 -5.433 1.00 1.26 C ATOM 0 HA PRO A 82 115.830 -1.351 -2.792 1.00 1.14 H new ATOM 0 HB2 PRO A 82 117.237 -0.754 -5.433 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.750 -1.848 -4.164 1.00 1.23 H new ATOM 0 HG2 PRO A 82 116.551 -2.764 -6.465 1.00 1.30 H new ATOM 0 HG3 PRO A 82 116.384 -3.609 -4.939 1.00 1.30 H new ATOM 0 HD2 PRO A 82 114.316 -2.079 -6.427 1.00 1.26 H new ATOM 0 HD3 PRO A 82 114.088 -3.204 -5.102 1.00 1.26 H new ATOM 1161 N GLY A 83 116.959 0.834 -2.662 1.00 0.99 N ATOM 1162 CA GLY A 83 117.294 2.246 -2.323 1.00 0.89 C ATOM 1163 C GLY A 83 117.711 2.327 -0.857 1.00 0.92 C ATOM 1164 O GLY A 83 117.985 1.327 -0.222 1.00 1.02 O ATOM 0 H GLY A 83 117.493 0.132 -2.149 1.00 0.99 H new ATOM 0 HA2 GLY A 83 118.100 2.604 -2.963 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.433 2.890 -2.504 1.00 0.89 H new ATOM 1168 N ASP A 84 117.753 3.515 -0.315 1.00 0.87 N ATOM 1169 CA ASP A 84 118.143 3.694 1.115 1.00 0.93 C ATOM 1170 C ASP A 84 116.896 4.044 1.921 1.00 0.83 C ATOM 1171 O ASP A 84 116.572 5.200 2.106 1.00 0.76 O ATOM 1172 CB ASP A 84 119.152 4.839 1.223 1.00 0.98 C ATOM 1173 CG ASP A 84 120.247 4.657 0.171 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.347 3.567 -0.369 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.968 5.609 -0.077 1.00 2.13 O ATOM 0 H ASP A 84 117.531 4.380 -0.808 1.00 0.87 H new ATOM 0 HA ASP A 84 118.591 2.777 1.498 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.649 5.795 1.078 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.591 4.858 2.220 1.00 0.98 H new ATOM 1180 N TYR A 85 116.191 3.060 2.404 1.00 0.84 N ATOM 1181 CA TYR A 85 114.969 3.353 3.194 1.00 0.76 C ATOM 1182 C TYR A 85 115.397 3.804 4.589 1.00 0.80 C ATOM 1183 O TYR A 85 116.197 3.169 5.243 1.00 0.92 O ATOM 1184 CB TYR A 85 114.090 2.088 3.268 1.00 0.80 C ATOM 1185 CG TYR A 85 113.005 2.143 2.216 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.813 2.823 2.482 1.00 0.64 C ATOM 1187 CD2 TYR A 85 113.197 1.516 0.981 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.809 2.876 1.511 1.00 0.61 C ATOM 1189 CE2 TYR A 85 112.194 1.568 0.008 1.00 0.75 C ATOM 1190 CZ TYR A 85 110.998 2.249 0.273 1.00 0.67 C ATOM 1191 OH TYR A 85 110.007 2.301 -0.684 1.00 0.68 O ATOM 0 H TYR A 85 116.409 2.071 2.285 1.00 0.84 H new ATOM 0 HA TYR A 85 114.385 4.144 2.724 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.705 1.200 3.121 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.642 2.005 4.258 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.668 3.307 3.437 1.00 0.64 H new ATOM 0 HD2 TYR A 85 114.119 0.992 0.779 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.887 3.401 1.715 1.00 0.61 H new ATOM 0 HE2 TYR A 85 112.341 1.084 -0.946 1.00 0.75 H new ATOM 0 HH TYR A 85 109.168 2.592 -0.270 1.00 0.68 H new ATOM 1201 N GLU A 86 114.870 4.911 5.031 1.00 0.73 N ATOM 1202 CA GLU A 86 115.228 5.464 6.376 1.00 0.78 C ATOM 1203 C GLU A 86 114.015 5.319 7.295 1.00 0.74 C ATOM 1204 O GLU A 86 112.951 5.826 7.008 1.00 0.68 O ATOM 1205 CB GLU A 86 115.625 6.968 6.249 1.00 0.78 C ATOM 1206 CG GLU A 86 115.721 7.390 4.772 1.00 0.72 C ATOM 1207 CD GLU A 86 116.983 6.788 4.151 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.348 5.693 4.544 1.00 1.26 O ATOM 1209 OE2 GLU A 86 117.564 7.434 3.294 1.00 1.53 O ATOM 0 H GLU A 86 114.193 5.469 4.510 1.00 0.73 H new ATOM 0 HA GLU A 86 116.077 4.919 6.789 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.888 7.587 6.761 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.582 7.138 6.743 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.839 7.053 4.228 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.747 8.477 4.694 1.00 0.72 H new ATOM 1216 N VAL A 87 114.169 4.624 8.392 1.00 0.81 N ATOM 1217 CA VAL A 87 113.032 4.426 9.341 1.00 0.78 C ATOM 1218 C VAL A 87 113.398 4.999 10.711 1.00 0.86 C ATOM 1219 O VAL A 87 114.478 4.763 11.224 1.00 0.99 O ATOM 1220 CB VAL A 87 112.759 2.930 9.455 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.921 2.241 10.177 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.462 2.701 10.235 1.00 0.83 C ATOM 0 H VAL A 87 115.043 4.180 8.674 1.00 0.81 H new ATOM 0 HA VAL A 87 112.142 4.940 8.978 1.00 0.78 H new ATOM 0 HB VAL A 87 112.659 2.509 8.455 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.719 1.173 10.255 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.842 2.396 9.615 1.00 1.00 H new ATOM 0 HG13 VAL A 87 114.030 2.663 11.176 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.270 1.631 10.315 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.558 3.128 11.233 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.634 3.181 9.713 1.00 0.83 H new ATOM 1232 N SER A 88 112.500 5.754 11.301 1.00 0.81 N ATOM 1233 CA SER A 88 112.765 6.365 12.643 1.00 0.91 C ATOM 1234 C SER A 88 111.612 6.040 13.591 1.00 0.87 C ATOM 1235 O SER A 88 110.562 6.647 13.535 1.00 0.84 O ATOM 1236 CB SER A 88 112.890 7.882 12.496 1.00 0.94 C ATOM 1237 OG SER A 88 113.397 8.430 13.706 1.00 1.59 O ATOM 0 H SER A 88 111.586 5.975 10.905 1.00 0.81 H new ATOM 0 HA SER A 88 113.692 5.960 13.048 1.00 0.91 H new ATOM 0 HB2 SER A 88 113.554 8.125 11.667 1.00 0.94 H new ATOM 0 HB3 SER A 88 111.918 8.318 12.265 1.00 0.94 H new ATOM 0 HG SER A 88 113.768 7.712 14.260 1.00 1.59 H new ATOM 1243 N ILE A 89 111.804 5.079 14.463 1.00 0.99 N ATOM 1244 CA ILE A 89 110.730 4.688 15.429 1.00 0.98 C ATOM 1245 C ILE A 89 111.110 5.159 16.840 1.00 1.08 C ATOM 1246 O ILE A 89 112.209 4.934 17.308 1.00 1.20 O ATOM 1247 CB ILE A 89 110.551 3.154 15.385 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.525 2.458 16.357 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.812 2.660 13.956 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.562 0.950 16.084 1.00 1.29 C ATOM 0 H ILE A 89 112.668 4.544 14.547 1.00 0.99 H new ATOM 0 HA ILE A 89 109.786 5.160 15.157 1.00 0.98 H new ATOM 0 HB ILE A 89 109.533 2.910 15.687 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.524 2.879 16.245 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.215 2.641 17.386 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.688 1.578 13.917 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.105 3.132 13.273 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.829 2.919 13.661 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.254 0.472 16.777 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.565 0.531 16.219 1.00 1.29 H new ATOM 0 HD13 ILE A 89 111.894 0.773 15.061 1.00 1.29 H new ATOM 1262 N LYS A 90 110.204 5.812 17.515 1.00 1.05 N ATOM 1263 CA LYS A 90 110.486 6.308 18.894 1.00 1.16 C ATOM 1264 C LYS A 90 109.247 6.097 19.763 1.00 1.11 C ATOM 1265 O LYS A 90 108.168 6.507 19.399 1.00 1.01 O ATOM 1266 CB LYS A 90 110.785 7.808 18.830 1.00 1.22 C ATOM 1267 CG LYS A 90 109.546 8.572 18.304 1.00 1.15 C ATOM 1268 CD LYS A 90 109.980 9.814 17.493 1.00 1.34 C ATOM 1269 CE LYS A 90 110.270 9.432 16.032 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.602 8.768 15.939 1.00 1.58 N ATOM 0 H LYS A 90 109.270 6.026 17.167 1.00 1.05 H new ATOM 0 HA LYS A 90 111.336 5.770 19.314 1.00 1.16 H new ATOM 0 HB2 LYS A 90 111.056 8.176 19.820 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.639 7.990 18.177 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.944 7.913 17.678 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.918 8.878 19.141 1.00 1.15 H new ATOM 0 HD2 LYS A 90 109.196 10.570 17.528 1.00 1.34 H new ATOM 0 HD3 LYS A 90 110.869 10.256 17.942 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.493 8.764 15.660 1.00 1.04 H new ATOM 0 HE3 LYS A 90 110.252 10.322 15.403 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 112.080 9.070 15.066 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 112.181 9.034 16.761 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.475 7.736 15.925 1.00 1.58 H new ATOM 1284 N PHE A 91 109.373 5.485 20.918 1.00 1.21 N ATOM 1285 CA PHE A 91 108.158 5.296 21.771 1.00 1.18 C ATOM 1286 C PHE A 91 107.947 6.563 22.596 1.00 1.22 C ATOM 1287 O PHE A 91 108.549 6.749 23.633 1.00 1.34 O ATOM 1288 CB PHE A 91 108.339 4.089 22.693 1.00 1.29 C ATOM 1289 CG PHE A 91 107.019 3.761 23.353 1.00 1.24 C ATOM 1290 CD1 PHE A 91 105.952 3.293 22.578 1.00 1.19 C ATOM 1291 CD2 PHE A 91 106.859 3.926 24.736 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.727 2.990 23.183 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.634 3.622 25.341 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.568 3.154 24.564 1.00 1.24 C ATOM 0 H PHE A 91 110.244 5.116 21.299 1.00 1.21 H new ATOM 0 HA PHE A 91 107.288 5.112 21.141 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.696 3.232 22.123 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.093 4.305 23.450 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.074 3.166 21.512 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.682 4.288 25.335 1.00 1.32 H new ATOM 0 HE1 PHE A 91 103.904 2.629 22.584 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.511 3.748 26.407 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.622 2.919 25.030 1.00 1.24 H new ATOM 1304 N ASN A 92 107.114 7.448 22.124 1.00 1.15 N ATOM 1305 CA ASN A 92 106.880 8.723 22.854 1.00 1.23 C ATOM 1306 C ASN A 92 108.161 9.556 22.768 1.00 1.32 C ATOM 1307 O ASN A 92 108.568 10.187 23.720 1.00 1.42 O ATOM 1308 CB ASN A 92 106.527 8.432 24.326 1.00 1.32 C ATOM 1309 CG ASN A 92 105.675 9.572 24.895 1.00 1.74 C ATOM 1310 OD1 ASN A 92 105.804 10.776 24.407 1.00 2.32 O flip ATOM 1311 ND2 ASN A 92 104.883 9.364 25.793 1.00 2.24 N flip ATOM 0 H ASN A 92 106.583 7.341 21.260 1.00 1.15 H new ATOM 0 HA ASN A 92 106.047 9.269 22.410 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.984 7.490 24.399 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.439 8.321 24.912 1.00 1.32 H new ATOM 0 HD21 ASN A 92 104.781 8.424 26.175 1.00 2.24 H new ATOM 0 HD22 ASN A 92 104.320 10.129 26.164 1.00 2.24 H new ATOM 1318 N ASP A 93 108.794 9.536 21.621 1.00 1.28 N ATOM 1319 CA ASP A 93 110.067 10.298 21.408 1.00 1.37 C ATOM 1320 C ASP A 93 111.255 9.500 21.939 1.00 1.45 C ATOM 1321 O ASP A 93 112.345 10.016 22.084 1.00 1.53 O ATOM 1322 CB ASP A 93 110.031 11.663 22.097 1.00 1.46 C ATOM 1323 CG ASP A 93 108.636 12.278 21.962 1.00 1.46 C ATOM 1324 OD1 ASP A 93 108.292 12.682 20.863 1.00 1.83 O ATOM 1325 OD2 ASP A 93 107.937 12.337 22.960 1.00 1.92 O ATOM 0 H ASP A 93 108.476 9.013 20.805 1.00 1.28 H new ATOM 0 HA ASP A 93 110.175 10.456 20.335 1.00 1.37 H new ATOM 0 HB2 ASP A 93 110.290 11.555 23.150 1.00 1.46 H new ATOM 0 HB3 ASP A 93 110.774 12.324 21.652 1.00 1.46 H new ATOM 1330 N GLU A 94 111.062 8.243 22.210 1.00 1.43 N ATOM 1331 CA GLU A 94 112.187 7.409 22.707 1.00 1.53 C ATOM 1332 C GLU A 94 112.931 6.832 21.501 1.00 1.52 C ATOM 1333 O GLU A 94 112.743 5.691 21.138 1.00 1.48 O ATOM 1334 CB GLU A 94 111.620 6.269 23.558 1.00 1.56 C ATOM 1335 CG GLU A 94 111.395 6.751 24.992 1.00 1.95 C ATOM 1336 CD GLU A 94 110.575 5.712 25.749 1.00 1.88 C ATOM 1337 OE1 GLU A 94 110.466 4.608 25.253 1.00 2.25 O ATOM 1338 OE2 GLU A 94 110.068 6.039 26.810 1.00 2.24 O ATOM 0 H GLU A 94 110.172 7.756 22.109 1.00 1.43 H new ATOM 0 HA GLU A 94 112.870 8.006 23.311 1.00 1.53 H new ATOM 0 HB2 GLU A 94 110.680 5.918 23.132 1.00 1.56 H new ATOM 0 HB3 GLU A 94 112.308 5.423 23.553 1.00 1.56 H new ATOM 0 HG2 GLU A 94 112.352 6.909 25.489 1.00 1.95 H new ATOM 0 HG3 GLU A 94 110.876 7.709 24.989 1.00 1.95 H new ATOM 1345 N HIS A 95 113.760 7.620 20.873 1.00 1.59 N ATOM 1346 CA HIS A 95 114.506 7.130 19.677 1.00 1.59 C ATOM 1347 C HIS A 95 115.300 5.863 20.018 1.00 1.71 C ATOM 1348 O HIS A 95 116.287 5.905 20.726 1.00 1.86 O ATOM 1349 CB HIS A 95 115.469 8.219 19.199 1.00 1.65 C ATOM 1350 CG HIS A 95 114.712 9.503 18.997 1.00 1.94 C ATOM 1351 ND1 HIS A 95 114.275 10.458 19.881 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 114.306 9.934 17.744 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 113.608 11.466 19.191 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 113.655 11.101 17.907 1.00 2.88 N flip ATOM 0 H HIS A 95 113.954 8.586 21.137 1.00 1.59 H new ATOM 0 HA HIS A 95 113.790 6.893 18.890 1.00 1.59 H new ATOM 0 HB2 HIS A 95 116.264 8.364 19.931 1.00 1.65 H new ATOM 0 HB3 HIS A 95 115.946 7.915 18.267 1.00 1.65 H new ATOM 0 HD2 HIS A 95 114.480 9.426 16.807 1.00 2.62 H new ATOM 0 HE1 HIS A 95 113.151 12.353 19.605 1.00 2.68 H new ATOM 0 HE2 HIS A 95 113.247 11.641 17.143 1.00 2.88 H new ATOM 1362 N ILE A 96 114.882 4.740 19.499 1.00 1.67 N ATOM 1363 CA ILE A 96 115.610 3.465 19.763 1.00 1.82 C ATOM 1364 C ILE A 96 116.999 3.574 19.087 1.00 1.88 C ATOM 1365 O ILE A 96 117.073 4.040 17.966 1.00 1.77 O ATOM 1366 CB ILE A 96 114.769 2.307 19.150 1.00 1.82 C ATOM 1367 CG1 ILE A 96 113.742 1.815 20.179 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.635 1.112 18.716 1.00 2.35 C ATOM 1369 CD1 ILE A 96 112.924 2.997 20.707 1.00 2.27 C ATOM 0 H ILE A 96 114.062 4.650 18.899 1.00 1.67 H new ATOM 0 HA ILE A 96 115.749 3.273 20.827 1.00 1.82 H new ATOM 0 HB ILE A 96 114.277 2.708 18.264 1.00 1.82 H new ATOM 0 HG12 ILE A 96 113.080 1.079 19.722 1.00 1.98 H new ATOM 0 HG13 ILE A 96 114.251 1.317 21.004 1.00 1.98 H new ATOM 0 HG21 ILE A 96 114.997 0.334 18.296 1.00 2.35 H new ATOM 0 HG22 ILE A 96 116.354 1.438 17.964 1.00 2.35 H new ATOM 0 HG23 ILE A 96 116.168 0.716 19.580 1.00 2.35 H new ATOM 0 HD11 ILE A 96 112.197 2.640 21.437 1.00 2.27 H new ATOM 0 HD12 ILE A 96 113.590 3.718 21.181 1.00 2.27 H new ATOM 0 HD13 ILE A 96 112.401 3.476 19.879 1.00 2.27 H new ATOM 1381 N PRO A 97 118.071 3.155 19.756 1.00 2.08 N ATOM 1382 CA PRO A 97 119.419 3.243 19.163 1.00 2.18 C ATOM 1383 C PRO A 97 119.383 2.847 17.680 1.00 2.06 C ATOM 1384 O PRO A 97 119.998 3.487 16.850 1.00 2.32 O ATOM 1385 CB PRO A 97 120.282 2.291 20.015 1.00 2.43 C ATOM 1386 CG PRO A 97 119.481 2.005 21.320 1.00 2.48 C ATOM 1387 CD PRO A 97 118.050 2.562 21.115 1.00 2.25 C ATOM 0 HA PRO A 97 119.827 4.254 19.175 1.00 2.18 H new ATOM 0 HB2 PRO A 97 120.485 1.366 19.475 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.246 2.744 20.245 1.00 2.43 H new ATOM 0 HG2 PRO A 97 119.451 0.935 21.525 1.00 2.48 H new ATOM 0 HG3 PRO A 97 119.959 2.481 22.176 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.302 1.772 21.192 1.00 2.25 H new ATOM 0 HD3 PRO A 97 117.803 3.309 21.870 1.00 2.25 H new ATOM 1395 N ASP A 98 118.649 1.829 17.329 1.00 2.10 N ATOM 1396 CA ASP A 98 118.570 1.456 15.891 1.00 1.98 C ATOM 1397 C ASP A 98 118.079 2.665 15.119 1.00 1.76 C ATOM 1398 O ASP A 98 118.783 3.231 14.315 1.00 1.73 O ATOM 1399 CB ASP A 98 117.591 0.293 15.692 1.00 1.95 C ATOM 1400 CG ASP A 98 117.855 -0.787 16.742 1.00 2.28 C ATOM 1401 OD1 ASP A 98 118.750 -0.596 17.549 1.00 2.64 O ATOM 1402 OD2 ASP A 98 117.157 -1.788 16.722 1.00 2.65 O ATOM 0 H ASP A 98 118.107 1.246 17.967 1.00 2.10 H new ATOM 0 HA ASP A 98 119.552 1.143 15.537 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.565 0.651 15.774 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.704 -0.124 14.691 1.00 1.95 H new ATOM 1407 N SER A 99 116.875 3.071 15.357 1.00 1.67 N ATOM 1408 CA SER A 99 116.340 4.239 14.623 1.00 1.48 C ATOM 1409 C SER A 99 117.078 5.514 15.074 1.00 1.62 C ATOM 1410 O SER A 99 117.401 5.634 16.239 1.00 1.87 O ATOM 1411 CB SER A 99 114.843 4.359 14.935 1.00 1.48 C ATOM 1412 OG SER A 99 114.510 5.720 15.189 1.00 2.00 O ATOM 0 H SER A 99 116.236 2.646 16.028 1.00 1.67 H new ATOM 0 HA SER A 99 116.486 4.113 13.550 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.256 3.982 14.097 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.593 3.746 15.801 1.00 1.48 H new ATOM 0 HG SER A 99 113.817 5.764 15.881 1.00 2.00 H new ATOM 1418 N PRO A 100 117.302 6.457 14.169 1.00 1.55 N ATOM 1419 CA PRO A 100 116.933 6.375 12.729 1.00 1.33 C ATOM 1420 C PRO A 100 118.044 5.644 11.934 1.00 1.33 C ATOM 1421 O PRO A 100 119.126 6.178 11.791 1.00 1.47 O ATOM 1422 CB PRO A 100 116.879 7.856 12.289 1.00 1.43 C ATOM 1423 CG PRO A 100 117.667 8.675 13.352 1.00 1.74 C ATOM 1424 CD PRO A 100 117.927 7.737 14.552 1.00 1.79 C ATOM 0 HA PRO A 100 116.002 5.833 12.559 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.321 7.981 11.300 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.847 8.201 12.223 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.607 9.039 12.938 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.096 9.550 13.664 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.995 7.617 14.737 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.488 8.134 15.467 1.00 1.79 H new ATOM 1432 N PHE A 101 117.801 4.455 11.390 1.00 1.25 N ATOM 1433 CA PHE A 101 118.887 3.763 10.581 1.00 1.36 C ATOM 1434 C PHE A 101 118.385 3.489 9.161 1.00 1.24 C ATOM 1435 O PHE A 101 117.207 3.574 8.875 1.00 1.16 O ATOM 1436 CB PHE A 101 119.356 2.457 11.249 1.00 1.55 C ATOM 1437 CG PHE A 101 118.322 1.361 11.132 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.254 1.307 12.028 1.00 1.50 C ATOM 1439 CD2 PHE A 101 118.452 0.382 10.144 1.00 1.78 C ATOM 1440 CE1 PHE A 101 116.312 0.281 11.937 1.00 1.83 C ATOM 1441 CE2 PHE A 101 117.508 -0.647 10.047 1.00 2.18 C ATOM 1442 CZ PHE A 101 116.436 -0.697 10.944 1.00 2.19 C ATOM 0 H PHE A 101 116.921 3.945 11.468 1.00 1.25 H new ATOM 0 HA PHE A 101 119.748 4.430 10.537 1.00 1.36 H new ATOM 0 HB2 PHE A 101 120.287 2.128 10.788 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.569 2.644 12.301 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.156 2.061 12.794 1.00 1.50 H new ATOM 0 HD2 PHE A 101 119.282 0.419 9.454 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.487 0.242 12.633 1.00 1.83 H new ATOM 0 HE2 PHE A 101 117.607 -1.401 9.281 1.00 2.18 H new ATOM 0 HZ PHE A 101 115.705 -1.489 10.870 1.00 2.19 H new ATOM 1452 N VAL A 102 119.289 3.194 8.258 1.00 1.28 N ATOM 1453 CA VAL A 102 118.898 2.952 6.837 1.00 1.21 C ATOM 1454 C VAL A 102 118.525 1.485 6.623 1.00 1.23 C ATOM 1455 O VAL A 102 119.111 0.594 7.196 1.00 1.34 O ATOM 1456 CB VAL A 102 120.078 3.313 5.929 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.295 2.466 6.306 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.708 3.044 4.468 1.00 1.29 C ATOM 0 H VAL A 102 120.288 3.110 8.448 1.00 1.28 H new ATOM 0 HA VAL A 102 118.032 3.569 6.597 1.00 1.21 H new ATOM 0 HB VAL A 102 120.315 4.369 6.055 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.133 2.725 5.659 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.565 2.659 7.344 1.00 1.44 H new ATOM 0 HG13 VAL A 102 121.055 1.410 6.184 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.550 3.302 3.826 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.466 1.989 4.342 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.844 3.649 4.194 1.00 1.29 H new ATOM 1468 N VAL A 103 117.556 1.236 5.779 1.00 1.15 N ATOM 1469 CA VAL A 103 117.123 -0.168 5.487 1.00 1.19 C ATOM 1470 C VAL A 103 117.382 -0.460 3.993 1.00 1.19 C ATOM 1471 O VAL A 103 116.525 -0.204 3.174 1.00 1.10 O ATOM 1472 CB VAL A 103 115.623 -0.286 5.775 1.00 1.11 C ATOM 1473 CG1 VAL A 103 115.106 -1.648 5.297 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.389 -0.153 7.283 1.00 1.14 C ATOM 0 H VAL A 103 117.039 1.954 5.272 1.00 1.15 H new ATOM 0 HA VAL A 103 117.675 -0.877 6.104 1.00 1.19 H new ATOM 0 HB VAL A 103 115.090 0.504 5.246 1.00 1.11 H new ATOM 0 HG11 VAL A 103 114.039 -1.725 5.505 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.275 -1.745 4.225 1.00 1.18 H new ATOM 0 HG13 VAL A 103 115.636 -2.443 5.821 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.323 -0.236 7.495 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.925 -0.945 7.806 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.752 0.817 7.623 1.00 1.14 H new ATOM 1484 N PRO A 104 118.559 -0.952 3.657 1.00 1.29 N ATOM 1485 CA PRO A 104 118.899 -1.223 2.245 1.00 1.30 C ATOM 1486 C PRO A 104 117.983 -2.298 1.629 1.00 1.33 C ATOM 1487 O PRO A 104 118.033 -3.461 1.986 1.00 1.44 O ATOM 1488 CB PRO A 104 120.376 -1.691 2.272 1.00 1.42 C ATOM 1489 CG PRO A 104 120.853 -1.650 3.753 1.00 1.49 C ATOM 1490 CD PRO A 104 119.636 -1.268 4.622 1.00 1.41 C ATOM 0 HA PRO A 104 118.760 -0.338 1.624 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.466 -2.699 1.868 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.995 -1.043 1.652 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.250 -2.619 4.055 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.656 -0.923 3.877 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.348 -2.088 5.280 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.859 -0.412 5.259 1.00 1.41 H new ATOM 1498 N VAL A 105 117.180 -1.914 0.670 1.00 1.25 N ATOM 1499 CA VAL A 105 116.297 -2.894 -0.026 1.00 1.29 C ATOM 1500 C VAL A 105 117.047 -3.303 -1.307 1.00 1.35 C ATOM 1501 O VAL A 105 117.708 -2.478 -1.915 1.00 1.31 O ATOM 1502 CB VAL A 105 114.956 -2.210 -0.339 1.00 1.19 C ATOM 1503 CG1 VAL A 105 114.102 -3.078 -1.275 1.00 1.26 C ATOM 1504 CG2 VAL A 105 114.192 -1.979 0.968 1.00 1.15 C ATOM 0 H VAL A 105 117.099 -0.953 0.337 1.00 1.25 H new ATOM 0 HA VAL A 105 116.078 -3.777 0.575 1.00 1.29 H new ATOM 0 HB VAL A 105 115.158 -1.260 -0.834 1.00 1.19 H new ATOM 0 HG11 VAL A 105 113.159 -2.572 -1.481 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.638 -3.241 -2.210 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.902 -4.038 -0.799 1.00 1.26 H new ATOM 0 HG21 VAL A 105 113.240 -1.494 0.752 1.00 1.15 H new ATOM 0 HG22 VAL A 105 114.009 -2.936 1.457 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.782 -1.342 1.627 1.00 1.15 H new ATOM 1514 N ALA A 106 117.007 -4.568 -1.690 1.00 1.46 N ATOM 1515 CA ALA A 106 117.786 -5.028 -2.902 1.00 1.53 C ATOM 1516 C ALA A 106 116.921 -5.881 -3.859 1.00 1.59 C ATOM 1517 O ALA A 106 116.226 -6.786 -3.461 1.00 1.66 O ATOM 1518 CB ALA A 106 118.980 -5.860 -2.400 1.00 1.67 C ATOM 0 H ALA A 106 116.472 -5.298 -1.219 1.00 1.46 H new ATOM 0 HA ALA A 106 118.117 -4.155 -3.465 1.00 1.53 H new ATOM 0 HB1 ALA A 106 119.564 -6.208 -3.252 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.608 -5.244 -1.757 1.00 1.67 H new ATOM 0 HB3 ALA A 106 118.614 -6.718 -1.836 1.00 1.67 H new ATOM 1524 N SER A 107 116.986 -5.593 -5.132 1.00 1.59 N ATOM 1525 CA SER A 107 116.208 -6.363 -6.146 1.00 1.67 C ATOM 1526 C SER A 107 117.155 -7.347 -6.814 1.00 1.81 C ATOM 1527 O SER A 107 117.762 -7.056 -7.825 1.00 1.83 O ATOM 1528 CB SER A 107 115.644 -5.412 -7.204 1.00 1.60 C ATOM 1529 OG SER A 107 114.769 -6.132 -8.062 1.00 2.04 O ATOM 0 H SER A 107 117.557 -4.842 -5.519 1.00 1.59 H new ATOM 0 HA SER A 107 115.381 -6.886 -5.665 1.00 1.67 H new ATOM 0 HB2 SER A 107 115.109 -4.592 -6.725 1.00 1.60 H new ATOM 0 HB3 SER A 107 116.455 -4.969 -7.781 1.00 1.60 H new ATOM 0 HG SER A 107 114.404 -5.526 -8.740 1.00 2.04 H new ATOM 1535 N LEU A 108 117.309 -8.496 -6.233 1.00 1.98 N ATOM 1536 CA LEU A 108 118.247 -9.502 -6.802 1.00 2.16 C ATOM 1537 C LEU A 108 119.642 -8.881 -6.816 1.00 2.13 C ATOM 1538 O LEU A 108 120.591 -9.445 -7.324 1.00 2.33 O ATOM 1539 CB LEU A 108 117.824 -9.882 -8.228 1.00 2.25 C ATOM 1540 CG LEU A 108 116.307 -10.088 -8.282 1.00 2.76 C ATOM 1541 CD1 LEU A 108 115.916 -10.638 -9.655 1.00 3.20 C ATOM 1542 CD2 LEU A 108 115.886 -11.084 -7.197 1.00 3.20 C ATOM 0 H LEU A 108 116.825 -8.787 -5.384 1.00 1.98 H new ATOM 0 HA LEU A 108 118.238 -10.409 -6.198 1.00 2.16 H new ATOM 0 HB2 LEU A 108 118.119 -9.098 -8.926 1.00 2.25 H new ATOM 0 HB3 LEU A 108 118.335 -10.793 -8.538 1.00 2.25 H new ATOM 0 HG LEU A 108 115.806 -9.135 -8.114 1.00 2.76 H new ATOM 0 HD11 LEU A 108 114.837 -10.785 -9.694 1.00 3.20 H new ATOM 0 HD12 LEU A 108 116.214 -9.931 -10.429 1.00 3.20 H new ATOM 0 HD13 LEU A 108 116.418 -11.591 -9.822 1.00 3.20 H new ATOM 0 HD21 LEU A 108 114.807 -11.230 -7.236 1.00 3.20 H new ATOM 0 HD22 LEU A 108 116.387 -12.037 -7.364 1.00 3.20 H new ATOM 0 HD23 LEU A 108 116.164 -10.694 -6.218 1.00 3.20 H new ATOM 1554 N SER A 109 119.759 -7.712 -6.243 1.00 1.93 N ATOM 1555 CA SER A 109 121.070 -7.007 -6.185 1.00 1.92 C ATOM 1556 C SER A 109 121.716 -7.260 -4.827 1.00 2.00 C ATOM 1557 O SER A 109 122.917 -7.160 -4.672 1.00 2.09 O ATOM 1558 CB SER A 109 120.840 -5.515 -6.381 1.00 1.77 C ATOM 1559 OG SER A 109 120.296 -4.960 -5.192 1.00 2.06 O ATOM 0 H SER A 109 118.987 -7.209 -5.806 1.00 1.93 H new ATOM 0 HA SER A 109 121.730 -7.377 -6.970 1.00 1.92 H new ATOM 0 HB2 SER A 109 121.779 -5.021 -6.629 1.00 1.77 H new ATOM 0 HB3 SER A 109 120.161 -5.347 -7.217 1.00 1.77 H new ATOM 0 HG SER A 109 120.149 -3.999 -5.317 1.00 2.06 H new ATOM 1565 N ASP A 110 120.931 -7.581 -3.833 1.00 1.99 N ATOM 1566 CA ASP A 110 121.512 -7.829 -2.485 1.00 2.10 C ATOM 1567 C ASP A 110 122.373 -6.630 -2.103 1.00 2.06 C ATOM 1568 O ASP A 110 123.125 -6.663 -1.149 1.00 2.19 O ATOM 1569 CB ASP A 110 122.377 -9.091 -2.520 1.00 2.32 C ATOM 1570 CG ASP A 110 122.817 -9.446 -1.099 1.00 2.37 C ATOM 1571 OD1 ASP A 110 121.957 -9.530 -0.237 1.00 2.61 O ATOM 1572 OD2 ASP A 110 124.007 -9.627 -0.896 1.00 2.85 O ATOM 0 H ASP A 110 119.918 -7.681 -3.897 1.00 1.99 H new ATOM 0 HA ASP A 110 120.715 -7.967 -1.755 1.00 2.10 H new ATOM 0 HB2 ASP A 110 121.816 -9.918 -2.956 1.00 2.32 H new ATOM 0 HB3 ASP A 110 123.250 -8.929 -3.153 1.00 2.32 H new ATOM 1836 N ARG B 8 114.653 11.237 -2.170 1.00 0.48 N ATOM 1837 CA ARG B 8 113.752 10.101 -2.521 1.00 0.50 C ATOM 1838 C ARG B 8 112.334 10.426 -2.055 1.00 0.48 C ATOM 1839 O ARG B 8 112.118 11.363 -1.312 1.00 0.96 O ATOM 1840 CB ARG B 8 114.256 8.828 -1.824 1.00 0.67 C ATOM 1841 CG ARG B 8 115.787 8.783 -1.902 1.00 0.80 C ATOM 1842 CD ARG B 8 116.288 7.357 -1.652 1.00 1.18 C ATOM 1843 NE ARG B 8 117.733 7.387 -1.251 1.00 1.76 N ATOM 1844 CZ ARG B 8 118.636 7.980 -1.988 1.00 2.26 C ATOM 1845 NH1 ARG B 8 118.343 8.399 -3.188 1.00 3.04 N ATOM 1846 NH2 ARG B 8 119.858 8.099 -1.542 1.00 2.64 N ATOM 0 HA ARG B 8 113.748 9.943 -3.599 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.932 8.816 -0.783 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.830 7.945 -2.300 1.00 0.67 H new ATOM 0 HG2 ARG B 8 116.119 9.126 -2.882 1.00 0.80 H new ATOM 0 HG3 ARG B 8 116.216 9.461 -1.165 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.694 6.885 -0.869 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.164 6.755 -2.552 1.00 1.18 H new ATOM 0 HE ARG B 8 118.018 6.934 -0.383 1.00 1.76 H new ATOM 0 HH11 ARG B 8 117.402 8.265 -3.559 1.00 3.04 H new ATOM 0 HH12 ARG B 8 119.054 8.860 -3.755 1.00 3.04 H new ATOM 0 HH21 ARG B 8 120.104 7.730 -0.623 1.00 2.64 H new ATOM 0 HH22 ARG B 8 120.566 8.561 -2.113 1.00 2.64 H new ATOM 1860 N VAL B 9 111.364 9.663 -2.478 1.00 0.42 N ATOM 1861 CA VAL B 9 109.964 9.937 -2.046 1.00 0.36 C ATOM 1862 C VAL B 9 109.951 10.119 -0.524 1.00 0.28 C ATOM 1863 O VAL B 9 110.857 9.699 0.168 1.00 0.38 O ATOM 1864 CB VAL B 9 109.066 8.758 -2.471 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.814 8.664 -1.583 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.631 8.945 -3.929 1.00 0.66 C ATOM 0 H VAL B 9 111.479 8.864 -3.102 1.00 0.42 H new ATOM 0 HA VAL B 9 109.583 10.845 -2.514 1.00 0.36 H new ATOM 0 HB VAL B 9 109.640 7.838 -2.362 1.00 0.45 H new ATOM 0 HG11 VAL B 9 107.200 7.823 -1.907 1.00 0.67 H new ATOM 0 HG12 VAL B 9 108.114 8.516 -0.546 1.00 0.67 H new ATOM 0 HG13 VAL B 9 107.239 9.586 -1.666 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.996 8.111 -4.229 1.00 0.66 H new ATOM 0 HG22 VAL B 9 108.075 9.878 -4.026 1.00 0.66 H new ATOM 0 HG23 VAL B 9 109.512 8.979 -4.570 1.00 0.66 H new ATOM 1876 N ALA B 10 108.933 10.753 -0.009 1.00 0.27 N ATOM 1877 CA ALA B 10 108.840 10.992 1.468 1.00 0.35 C ATOM 1878 C ALA B 10 107.625 10.257 2.027 1.00 0.26 C ATOM 1879 O ALA B 10 106.642 10.051 1.343 1.00 0.40 O ATOM 1880 CB ALA B 10 108.682 12.492 1.727 1.00 0.58 C ATOM 0 H ALA B 10 108.151 11.121 -0.551 1.00 0.27 H new ATOM 0 HA ALA B 10 109.744 10.626 1.954 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.614 12.671 2.800 1.00 0.58 H new ATOM 0 HB2 ALA B 10 109.544 13.024 1.325 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.775 12.852 1.241 1.00 0.58 H new ATOM 1886 N SER B 11 107.684 9.855 3.267 1.00 0.23 N ATOM 1887 CA SER B 11 106.530 9.128 3.869 1.00 0.22 C ATOM 1888 C SER B 11 106.513 9.343 5.383 1.00 0.23 C ATOM 1889 O SER B 11 107.539 9.346 6.035 1.00 0.30 O ATOM 1890 CB SER B 11 106.664 7.641 3.556 1.00 0.36 C ATOM 1891 OG SER B 11 106.460 7.447 2.165 1.00 1.19 O ATOM 0 H SER B 11 108.480 9.998 3.889 1.00 0.23 H new ATOM 0 HA SER B 11 105.598 9.508 3.451 1.00 0.22 H new ATOM 0 HB2 SER B 11 107.651 7.281 3.847 1.00 0.36 H new ATOM 0 HB3 SER B 11 105.935 7.068 4.128 1.00 0.36 H new ATOM 0 HG SER B 11 106.383 8.317 1.721 1.00 1.19 H new ATOM 1897 N SER B 12 105.350 9.528 5.950 1.00 0.27 N ATOM 1898 CA SER B 12 105.257 9.751 7.423 1.00 0.35 C ATOM 1899 C SER B 12 103.939 9.176 7.946 1.00 0.31 C ATOM 1900 O SER B 12 102.870 9.667 7.643 1.00 0.41 O ATOM 1901 CB SER B 12 105.308 11.251 7.711 1.00 0.52 C ATOM 1902 OG SER B 12 104.056 11.835 7.376 1.00 1.38 O ATOM 0 H SER B 12 104.458 9.534 5.455 1.00 0.27 H new ATOM 0 HA SER B 12 106.090 9.254 7.920 1.00 0.35 H new ATOM 0 HB2 SER B 12 105.533 11.424 8.763 1.00 0.52 H new ATOM 0 HB3 SER B 12 106.106 11.717 7.133 1.00 0.52 H new ATOM 0 HG SER B 12 103.499 11.173 6.916 1.00 1.38 H new ATOM 1908 N VAL B 13 104.012 8.139 8.734 1.00 0.27 N ATOM 1909 CA VAL B 13 102.776 7.521 9.290 1.00 0.27 C ATOM 1910 C VAL B 13 103.131 6.808 10.594 1.00 0.32 C ATOM 1911 O VAL B 13 104.298 6.616 10.906 1.00 0.41 O ATOM 1912 CB VAL B 13 102.211 6.517 8.279 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.330 5.587 7.801 1.00 0.42 C ATOM 1914 CG2 VAL B 13 101.097 5.687 8.929 1.00 0.41 C ATOM 0 H VAL B 13 104.882 7.690 9.019 1.00 0.27 H new ATOM 0 HA VAL B 13 102.025 8.287 9.484 1.00 0.27 H new ATOM 0 HB VAL B 13 101.800 7.061 7.429 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.928 4.873 7.082 1.00 0.42 H new ATOM 0 HG12 VAL B 13 104.115 6.176 7.327 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.745 5.049 8.653 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.702 4.977 8.203 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.499 5.145 9.785 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.297 6.349 9.262 1.00 0.41 H new ATOM 1924 N PHE B 14 102.146 6.415 11.362 1.00 0.36 N ATOM 1925 CA PHE B 14 102.457 5.718 12.639 1.00 0.45 C ATOM 1926 C PHE B 14 101.192 5.257 13.365 1.00 0.34 C ATOM 1927 O PHE B 14 100.104 5.251 12.825 1.00 0.35 O ATOM 1928 CB PHE B 14 103.215 6.659 13.562 1.00 0.59 C ATOM 1929 CG PHE B 14 102.311 7.768 14.062 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.835 8.737 13.171 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.960 7.832 15.418 1.00 1.40 C ATOM 1932 CE1 PHE B 14 101.008 9.766 13.633 1.00 1.03 C ATOM 1933 CE2 PHE B 14 101.134 8.863 15.879 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.657 9.830 14.987 1.00 1.54 C ATOM 0 H PHE B 14 101.155 6.546 11.161 1.00 0.36 H new ATOM 0 HA PHE B 14 103.056 4.842 12.390 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.615 6.101 14.408 1.00 0.59 H new ATOM 0 HB3 PHE B 14 104.065 7.088 13.032 1.00 0.59 H new ATOM 0 HD1 PHE B 14 102.106 8.690 12.127 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.327 7.085 16.107 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.640 10.512 12.945 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.864 8.913 16.924 1.00 1.79 H new ATOM 0 HZ PHE B 14 100.019 10.625 15.343 1.00 1.54 H new ATOM 1944 N ILE B 15 101.355 4.871 14.612 1.00 0.34 N ATOM 1945 CA ILE B 15 100.210 4.403 15.431 1.00 0.33 C ATOM 1946 C ILE B 15 100.406 4.881 16.880 1.00 0.31 C ATOM 1947 O ILE B 15 101.519 4.967 17.372 1.00 0.58 O ATOM 1948 CB ILE B 15 100.159 2.871 15.406 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.580 2.278 15.622 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.560 2.395 14.076 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.314 2.048 14.289 1.00 1.25 C ATOM 0 H ILE B 15 102.253 4.864 15.096 1.00 0.34 H new ATOM 0 HA ILE B 15 99.279 4.804 15.030 1.00 0.33 H new ATOM 0 HB ILE B 15 99.523 2.520 16.219 1.00 0.51 H new ATOM 0 HG12 ILE B 15 102.164 2.954 16.246 1.00 0.62 H new ATOM 0 HG13 ILE B 15 101.501 1.334 16.161 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.525 1.306 14.062 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.550 2.792 13.969 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.178 2.749 13.251 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.303 1.633 14.485 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.743 1.351 13.675 1.00 1.25 H new ATOM 0 HD13 ILE B 15 102.417 2.996 13.762 1.00 1.25 H new ATOM 1963 N THR B 16 99.331 5.188 17.566 1.00 0.35 N ATOM 1964 CA THR B 16 99.431 5.660 18.987 1.00 0.47 C ATOM 1965 C THR B 16 98.813 4.609 19.914 1.00 0.31 C ATOM 1966 O THR B 16 97.695 4.175 19.715 1.00 0.35 O ATOM 1967 CB THR B 16 98.665 6.978 19.138 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.147 7.917 18.188 1.00 1.61 O ATOM 1969 CG2 THR B 16 98.866 7.530 20.550 1.00 1.40 C ATOM 0 H THR B 16 98.380 5.132 17.201 1.00 0.35 H new ATOM 0 HA THR B 16 100.478 5.811 19.249 1.00 0.47 H new ATOM 0 HB THR B 16 97.603 6.801 18.968 1.00 0.75 H new ATOM 0 HG1 THR B 16 98.656 8.760 18.283 1.00 1.61 H new ATOM 0 HG21 THR B 16 98.320 8.468 20.655 1.00 1.40 H new ATOM 0 HG22 THR B 16 98.494 6.810 21.279 1.00 1.40 H new ATOM 0 HG23 THR B 16 99.927 7.707 20.724 1.00 1.40 H new ATOM 1977 N LEU B 17 99.530 4.196 20.930 1.00 0.39 N ATOM 1978 CA LEU B 17 98.984 3.171 21.875 1.00 0.44 C ATOM 1979 C LEU B 17 98.417 3.867 23.114 1.00 0.31 C ATOM 1980 O LEU B 17 98.961 4.841 23.595 1.00 0.54 O ATOM 1981 CB LEU B 17 100.105 2.220 22.303 1.00 0.72 C ATOM 1982 CG LEU B 17 100.891 1.747 21.075 1.00 0.83 C ATOM 1983 CD1 LEU B 17 101.866 0.639 21.491 1.00 1.06 C ATOM 1984 CD2 LEU B 17 99.922 1.203 20.016 1.00 1.32 C ATOM 0 H LEU B 17 100.471 4.524 21.147 1.00 0.39 H new ATOM 0 HA LEU B 17 98.195 2.608 21.377 1.00 0.44 H new ATOM 0 HB2 LEU B 17 100.774 2.724 23.001 1.00 0.72 H new ATOM 0 HB3 LEU B 17 99.684 1.362 22.828 1.00 0.72 H new ATOM 0 HG LEU B 17 101.446 2.587 20.657 1.00 0.83 H new ATOM 0 HD11 LEU B 17 102.426 0.301 20.619 1.00 1.06 H new ATOM 0 HD12 LEU B 17 102.558 1.025 22.239 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.308 -0.198 21.911 1.00 1.06 H new ATOM 0 HD21 LEU B 17 100.485 0.868 19.145 1.00 1.32 H new ATOM 0 HD22 LEU B 17 99.363 0.364 20.431 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.229 1.990 19.719 1.00 1.32 H new