USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 135 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 144 LYS NZ :NH3+ -144:sc= 0.213 (180deg=0.0238) USER MOD Set 2.1: A 117 THR OG1 : rot 29:sc= -2.7! USER MOD Set 2.2: A 118 GLN : amide:sc= -7.17! C(o=-9.9!,f=-5.8!) USER MOD Set 3.1: A 102 HIS : no HD1:sc= -3.75! C(o=-8.3!,f=-10!) USER MOD Set 3.2: A 107 GLN : amide:sc= -1.81! K(o=-8.3!,f=-6.4) USER MOD Set 3.3: A 125 GLN : amide:sc= -2.74! C(o=-8.3!,f=-11!) USER MOD Set 4.1: A 88 SER OG : rot -73:sc= -0.672! USER MOD Set 4.2: A 89 HIS : no HE2:sc= -5.52! C(o=-7.7!,f=-21!) USER MOD Set 4.3: A 187 SER OG : rot 65:sc= -1.46 USER MOD Single : A 79 MET CE :methyl -119:sc= -0.16 (180deg=-0.608) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.26! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -159:sc= -0.117 (180deg=-0.85) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= -0.0786 (180deg=-0.682) USER MOD Single : A 103 SER OG : rot -134:sc= -0.197 USER MOD Single : A 104 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.17) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-5.1!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -2.77! X(o=-2.8!,f=-2.3) USER MOD Single : A 127 TYR OH : rot 165:sc= 0.00616 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 142 CYS SG : rot 46:sc= -0.215 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -0.997! C(o=-1!,f=-2.1!) USER MOD Single : A 193 HIS : no HD1:sc= -0.983 K(o=-0.98,f=-0.18) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.480 -0.559 -8.676 1.00 1.04 N ATOM 275 CA VAL A 74 20.808 -1.068 -8.213 1.00 0.93 C ATOM 276 C VAL A 74 20.751 -2.611 -8.298 1.00 0.86 C ATOM 277 O VAL A 74 19.740 -3.145 -8.707 1.00 0.89 O ATOM 278 CB VAL A 74 21.029 -0.570 -6.766 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.497 0.862 -6.647 1.00 1.17 C ATOM 280 CG2 VAL A 74 20.298 -1.479 -5.747 1.00 1.38 C ATOM 0 HA VAL A 74 21.640 -0.711 -8.821 1.00 0.93 H new ATOM 0 HB VAL A 74 22.096 -0.598 -6.544 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.648 1.223 -5.630 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.031 1.508 -7.344 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.433 0.876 -6.882 1.00 1.17 H new ATOM 0 HG21 VAL A 74 20.470 -1.106 -4.737 1.00 1.38 H new ATOM 0 HG22 VAL A 74 19.229 -1.475 -5.958 1.00 1.38 H new ATOM 0 HG23 VAL A 74 20.680 -2.497 -5.828 1.00 1.38 H new ATOM 290 N PRO A 75 21.789 -3.346 -7.943 1.00 0.93 N ATOM 291 CA PRO A 75 21.736 -4.835 -8.036 1.00 1.00 C ATOM 292 C PRO A 75 20.408 -5.387 -7.503 1.00 0.88 C ATOM 293 O PRO A 75 19.983 -5.074 -6.408 1.00 0.84 O ATOM 294 CB PRO A 75 22.929 -5.284 -7.195 1.00 1.18 C ATOM 295 CG PRO A 75 23.923 -4.186 -7.377 1.00 1.37 C ATOM 296 CD PRO A 75 23.099 -2.894 -7.422 1.00 1.13 C ATOM 0 HA PRO A 75 21.788 -5.202 -9.061 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.656 -5.408 -6.147 1.00 1.18 H new ATOM 0 HB3 PRO A 75 23.323 -6.241 -7.537 1.00 1.18 H new ATOM 0 HG2 PRO A 75 24.641 -4.166 -6.557 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.493 -4.321 -8.296 1.00 1.37 H new ATOM 0 HD2 PRO A 75 23.005 -2.442 -6.435 1.00 1.13 H new ATOM 0 HD3 PRO A 75 23.555 -2.148 -8.073 1.00 1.13 H new ATOM 304 N LEU A 76 19.740 -6.182 -8.295 1.00 0.86 N ATOM 305 CA LEU A 76 18.418 -6.738 -7.879 1.00 0.77 C ATOM 306 C LEU A 76 18.554 -7.600 -6.623 1.00 0.77 C ATOM 307 O LEU A 76 18.923 -8.756 -6.685 1.00 0.85 O ATOM 308 CB LEU A 76 17.856 -7.596 -9.017 1.00 0.84 C ATOM 309 CG LEU A 76 17.514 -6.715 -10.227 1.00 0.87 C ATOM 310 CD1 LEU A 76 17.130 -7.617 -11.405 1.00 1.01 C ATOM 311 CD2 LEU A 76 16.341 -5.768 -9.892 1.00 0.76 C ATOM 0 H LEU A 76 20.056 -6.473 -9.220 1.00 0.86 H new ATOM 0 HA LEU A 76 17.747 -5.908 -7.658 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.585 -8.354 -9.304 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.964 -8.123 -8.678 1.00 0.84 H new ATOM 0 HG LEU A 76 18.382 -6.110 -10.488 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.885 -7.001 -12.270 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.967 -8.271 -11.650 1.00 1.01 H new ATOM 0 HD13 LEU A 76 16.265 -8.222 -11.133 1.00 1.01 H new ATOM 0 HD21 LEU A 76 16.112 -5.151 -10.761 1.00 0.76 H new ATOM 0 HD22 LEU A 76 15.464 -6.356 -9.623 1.00 0.76 H new ATOM 0 HD23 LEU A 76 16.618 -5.127 -9.055 1.00 0.76 H new ATOM 323 N ARG A 77 18.230 -7.051 -5.481 1.00 0.74 N ATOM 324 CA ARG A 77 18.309 -7.842 -4.220 1.00 0.79 C ATOM 325 C ARG A 77 17.003 -8.640 -4.063 1.00 0.71 C ATOM 326 O ARG A 77 15.966 -8.221 -4.540 1.00 0.73 O ATOM 327 CB ARG A 77 18.475 -6.885 -3.032 1.00 0.85 C ATOM 328 CG ARG A 77 19.934 -6.421 -2.940 1.00 1.19 C ATOM 329 CD ARG A 77 20.023 -5.156 -2.083 1.00 1.52 C ATOM 330 NE ARG A 77 19.589 -5.460 -0.690 1.00 2.13 N ATOM 331 CZ ARG A 77 19.875 -4.631 0.276 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.569 -3.553 0.028 1.00 2.73 N ATOM 333 NH2 ARG A 77 19.473 -4.881 1.493 1.00 3.61 N ATOM 0 H ARG A 77 17.914 -6.088 -5.369 1.00 0.74 H new ATOM 0 HA ARG A 77 19.159 -8.523 -4.252 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.817 -6.024 -3.151 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.183 -7.384 -2.108 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.549 -7.209 -2.506 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.326 -6.224 -3.938 1.00 1.19 H new ATOM 0 HD2 ARG A 77 21.045 -4.778 -2.081 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.394 -4.373 -2.507 1.00 1.52 H new ATOM 0 HE ARG A 77 19.069 -6.315 -0.492 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.888 -3.359 -0.921 1.00 2.73 H new ATOM 0 HH12 ARG A 77 20.792 -2.905 0.784 1.00 2.73 H new ATOM 0 HH21 ARG A 77 18.935 -5.725 1.689 1.00 3.61 H new ATOM 0 HH22 ARG A 77 19.697 -4.232 2.248 1.00 3.61 H new ATOM 347 N PRO A 78 17.036 -9.771 -3.398 1.00 0.79 N ATOM 348 CA PRO A 78 15.816 -10.608 -3.189 1.00 0.76 C ATOM 349 C PRO A 78 14.918 -10.059 -2.068 1.00 0.67 C ATOM 350 O PRO A 78 15.359 -9.855 -0.954 1.00 0.69 O ATOM 351 CB PRO A 78 16.397 -11.970 -2.797 1.00 0.86 C ATOM 352 CG PRO A 78 17.665 -11.636 -2.081 1.00 1.18 C ATOM 353 CD PRO A 78 18.226 -10.389 -2.776 1.00 1.06 C ATOM 0 HA PRO A 78 15.177 -10.637 -4.072 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.712 -12.525 -2.156 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.586 -12.589 -3.674 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.478 -11.443 -1.025 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.372 -12.464 -2.133 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.702 -9.714 -2.065 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.978 -10.650 -3.521 1.00 1.06 H new ATOM 361 N MET A 79 13.663 -9.829 -2.353 1.00 0.65 N ATOM 362 CA MET A 79 12.745 -9.307 -1.299 1.00 0.61 C ATOM 363 C MET A 79 12.565 -10.384 -0.224 1.00 0.51 C ATOM 364 O MET A 79 12.686 -11.563 -0.492 1.00 0.56 O ATOM 365 CB MET A 79 11.387 -8.946 -1.929 1.00 0.66 C ATOM 366 CG MET A 79 10.341 -8.726 -0.833 1.00 0.74 C ATOM 367 SD MET A 79 8.887 -7.912 -1.544 1.00 1.25 S ATOM 368 CE MET A 79 9.392 -6.206 -1.212 1.00 0.83 C ATOM 0 H MET A 79 13.236 -9.980 -3.267 1.00 0.65 H new ATOM 0 HA MET A 79 13.166 -8.410 -0.845 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.486 -8.045 -2.534 1.00 0.66 H new ATOM 0 HB3 MET A 79 11.063 -9.744 -2.597 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.057 -9.680 -0.389 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.759 -8.115 -0.033 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.663 -5.732 -0.555 1.00 0.83 H new ATOM 0 HE2 MET A 79 10.370 -6.203 -0.731 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.448 -5.654 -2.150 1.00 0.83 H new ATOM 378 N THR A 80 12.289 -9.987 0.997 1.00 0.56 N ATOM 379 CA THR A 80 12.112 -10.986 2.102 1.00 0.60 C ATOM 380 C THR A 80 10.847 -10.684 2.890 1.00 0.56 C ATOM 381 O THR A 80 10.485 -9.544 3.089 1.00 0.50 O ATOM 382 CB THR A 80 13.323 -10.931 3.044 1.00 0.77 C ATOM 383 OG1 THR A 80 13.179 -9.842 3.943 1.00 0.94 O ATOM 384 CG2 THR A 80 14.602 -10.754 2.223 1.00 0.73 C ATOM 0 H THR A 80 12.178 -9.012 1.277 1.00 0.56 H new ATOM 0 HA THR A 80 12.029 -11.981 1.665 1.00 0.60 H new ATOM 0 HB THR A 80 13.383 -11.860 3.611 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.016 -9.711 4.435 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.461 -10.715 2.892 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.714 -11.594 1.538 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.543 -9.827 1.653 1.00 0.73 H new ATOM 392 N TYR A 81 10.175 -11.706 3.369 1.00 0.61 N ATOM 393 CA TYR A 81 8.951 -11.466 4.182 1.00 0.60 C ATOM 394 C TYR A 81 9.365 -10.461 5.256 1.00 0.51 C ATOM 395 O TYR A 81 8.681 -9.499 5.544 1.00 0.45 O ATOM 396 CB TYR A 81 8.469 -12.815 4.786 1.00 0.69 C ATOM 397 CG TYR A 81 8.368 -12.761 6.300 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.178 -12.346 6.911 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.466 -13.129 7.085 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.088 -12.300 8.307 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.376 -13.082 8.481 1.00 0.77 C ATOM 402 CZ TYR A 81 8.187 -12.667 9.092 1.00 0.73 C ATOM 403 OH TYR A 81 8.100 -12.623 10.469 1.00 0.90 O ATOM 0 H TYR A 81 10.423 -12.686 3.231 1.00 0.61 H new ATOM 0 HA TYR A 81 8.117 -11.071 3.601 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.496 -13.072 4.367 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.159 -13.608 4.497 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.330 -12.062 6.305 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.383 -13.449 6.614 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.170 -11.981 8.779 1.00 0.66 H new ATOM 0 HE2 TYR A 81 10.224 -13.366 9.087 1.00 0.77 H new ATOM 0 HH TYR A 81 8.951 -12.911 10.860 1.00 0.90 H new ATOM 413 N LYS A 82 10.528 -10.674 5.803 1.00 0.52 N ATOM 414 CA LYS A 82 11.064 -9.731 6.807 1.00 0.48 C ATOM 415 C LYS A 82 11.217 -8.367 6.139 1.00 0.40 C ATOM 416 O LYS A 82 11.051 -7.339 6.768 1.00 0.38 O ATOM 417 CB LYS A 82 12.429 -10.223 7.295 1.00 0.55 C ATOM 418 CG LYS A 82 12.920 -9.336 8.444 1.00 0.60 C ATOM 419 CD LYS A 82 14.380 -9.667 8.754 1.00 0.92 C ATOM 420 CE LYS A 82 14.860 -8.810 9.926 1.00 1.49 C ATOM 421 NZ LYS A 82 16.259 -9.184 10.277 1.00 2.32 N ATOM 0 H LYS A 82 11.131 -11.469 5.592 1.00 0.52 H new ATOM 0 HA LYS A 82 10.391 -9.661 7.661 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.355 -11.258 7.629 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.147 -10.203 6.475 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.824 -8.285 8.173 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.304 -9.495 9.329 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.480 -10.725 8.998 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.000 -9.482 7.877 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.810 -7.754 9.662 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.207 -8.954 10.787 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 16.585 -8.601 11.074 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.293 -10.188 10.546 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 16.877 -9.025 9.456 1.00 2.32 H new ATOM 435 N ALA A 83 11.532 -8.337 4.861 1.00 0.42 N ATOM 436 CA ALA A 83 11.683 -7.012 4.188 1.00 0.41 C ATOM 437 C ALA A 83 10.332 -6.294 4.180 1.00 0.35 C ATOM 438 O ALA A 83 10.254 -5.096 4.357 1.00 0.34 O ATOM 439 CB ALA A 83 12.169 -7.194 2.747 1.00 0.52 C ATOM 0 H ALA A 83 11.687 -9.154 4.271 1.00 0.42 H new ATOM 0 HA ALA A 83 12.418 -6.421 4.734 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.273 -6.218 2.272 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.134 -7.701 2.750 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.446 -7.792 2.192 1.00 0.52 H new ATOM 445 N ALA A 84 9.265 -7.018 3.978 1.00 0.34 N ATOM 446 CA ALA A 84 7.921 -6.373 3.960 1.00 0.31 C ATOM 447 C ALA A 84 7.634 -5.749 5.327 1.00 0.28 C ATOM 448 O ALA A 84 7.266 -4.595 5.428 1.00 0.28 O ATOM 449 CB ALA A 84 6.857 -7.425 3.646 1.00 0.34 C ATOM 0 H ALA A 84 9.265 -8.026 3.825 1.00 0.34 H new ATOM 0 HA ALA A 84 7.901 -5.596 3.196 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.874 -6.955 3.632 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.061 -7.869 2.671 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.877 -8.202 4.410 1.00 0.34 H new ATOM 455 N VAL A 85 7.798 -6.500 6.382 1.00 0.29 N ATOM 456 CA VAL A 85 7.532 -5.943 7.736 1.00 0.29 C ATOM 457 C VAL A 85 8.515 -4.810 8.011 1.00 0.29 C ATOM 458 O VAL A 85 8.131 -3.732 8.420 1.00 0.30 O ATOM 459 CB VAL A 85 7.699 -7.043 8.790 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.137 -6.560 10.127 1.00 0.37 C ATOM 461 CG2 VAL A 85 6.941 -8.295 8.347 1.00 0.38 C ATOM 0 H VAL A 85 8.104 -7.473 6.364 1.00 0.29 H new ATOM 0 HA VAL A 85 6.512 -5.561 7.782 1.00 0.29 H new ATOM 0 HB VAL A 85 8.758 -7.277 8.902 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.256 -7.343 10.876 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.675 -5.667 10.447 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.079 -6.325 10.013 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.060 -9.077 9.097 1.00 0.38 H new ATOM 0 HG22 VAL A 85 5.883 -8.059 8.234 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.339 -8.643 7.394 1.00 0.38 H new ATOM 471 N ASP A 86 9.780 -5.030 7.773 1.00 0.30 N ATOM 472 CA ASP A 86 10.763 -3.941 8.006 1.00 0.32 C ATOM 473 C ASP A 86 10.384 -2.777 7.097 1.00 0.30 C ATOM 474 O ASP A 86 10.359 -1.631 7.504 1.00 0.31 O ATOM 475 CB ASP A 86 12.171 -4.433 7.656 1.00 0.36 C ATOM 476 CG ASP A 86 12.607 -5.494 8.667 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.743 -6.178 9.187 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.799 -5.606 8.903 1.00 1.23 O ATOM 0 H ASP A 86 10.170 -5.908 7.431 1.00 0.30 H new ATOM 0 HA ASP A 86 10.754 -3.631 9.051 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.182 -4.849 6.649 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.872 -3.598 7.664 1.00 0.36 H new ATOM 483 N LEU A 87 10.063 -3.074 5.868 1.00 0.29 N ATOM 484 CA LEU A 87 9.654 -2.005 4.921 1.00 0.30 C ATOM 485 C LEU A 87 8.390 -1.330 5.456 1.00 0.29 C ATOM 486 O LEU A 87 8.283 -0.120 5.475 1.00 0.30 O ATOM 487 CB LEU A 87 9.372 -2.628 3.548 1.00 0.33 C ATOM 488 CG LEU A 87 8.870 -1.563 2.563 1.00 0.42 C ATOM 489 CD1 LEU A 87 9.900 -0.429 2.436 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.652 -2.216 1.193 1.00 0.44 C ATOM 0 H LEU A 87 10.067 -4.017 5.479 1.00 0.29 H new ATOM 0 HA LEU A 87 10.448 -1.265 4.821 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.279 -3.091 3.160 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.628 -3.418 3.647 1.00 0.33 H new ATOM 0 HG LEU A 87 7.933 -1.144 2.930 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.532 0.320 1.735 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.055 0.032 3.411 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.844 -0.834 2.072 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.295 -1.467 0.486 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.593 -2.634 0.835 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.913 -3.012 1.283 1.00 0.44 H new ATOM 502 N SER A 88 7.428 -2.102 5.892 1.00 0.30 N ATOM 503 CA SER A 88 6.177 -1.493 6.423 1.00 0.34 C ATOM 504 C SER A 88 6.531 -0.441 7.473 1.00 0.33 C ATOM 505 O SER A 88 5.977 0.638 7.490 1.00 0.36 O ATOM 506 CB SER A 88 5.308 -2.578 7.060 1.00 0.40 C ATOM 507 OG SER A 88 5.865 -2.949 8.315 1.00 0.44 O ATOM 0 H SER A 88 7.456 -3.122 5.903 1.00 0.30 H new ATOM 0 HA SER A 88 5.627 -1.024 5.607 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.290 -2.212 7.195 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.251 -3.446 6.404 1.00 0.40 H new ATOM 0 HG SER A 88 6.678 -3.476 8.169 1.00 0.44 H new ATOM 513 N HIS A 89 7.445 -0.748 8.351 1.00 0.34 N ATOM 514 CA HIS A 89 7.827 0.235 9.404 1.00 0.36 C ATOM 515 C HIS A 89 8.646 1.373 8.798 1.00 0.36 C ATOM 516 O HIS A 89 8.537 2.509 9.213 1.00 0.41 O ATOM 517 CB HIS A 89 8.661 -0.464 10.480 1.00 0.41 C ATOM 518 CG HIS A 89 7.857 -1.565 11.110 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.067 -2.425 10.363 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.712 -1.961 12.416 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.488 -3.288 11.218 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.849 -3.050 12.483 1.00 0.82 N ATOM 0 H HIS A 89 7.944 -1.637 8.385 1.00 0.34 H new ATOM 0 HA HIS A 89 6.918 0.644 9.845 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.571 -0.872 10.040 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.968 0.255 11.239 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.947 -2.407 9.350 1.00 1.43 H new ATOM 0 HD2 HIS A 89 8.195 -1.497 13.264 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.814 -4.077 10.919 1.00 1.27 H new ATOM 530 N PHE A 90 9.466 1.091 7.826 1.00 0.34 N ATOM 531 CA PHE A 90 10.275 2.184 7.224 1.00 0.37 C ATOM 532 C PHE A 90 9.323 3.275 6.732 1.00 0.40 C ATOM 533 O PHE A 90 9.384 4.410 7.163 1.00 0.47 O ATOM 534 CB PHE A 90 11.096 1.627 6.051 1.00 0.38 C ATOM 535 CG PHE A 90 12.280 2.527 5.776 1.00 0.47 C ATOM 536 CD1 PHE A 90 12.158 3.592 4.876 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.500 2.292 6.421 1.00 0.57 C ATOM 538 CE1 PHE A 90 13.257 4.423 4.622 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.598 3.121 6.167 1.00 0.69 C ATOM 540 CZ PHE A 90 14.477 4.187 5.268 1.00 0.72 C ATOM 0 H PHE A 90 9.610 0.164 7.427 1.00 0.34 H new ATOM 0 HA PHE A 90 10.961 2.601 7.962 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.441 0.619 6.283 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.471 1.553 5.161 1.00 0.38 H new ATOM 0 HD1 PHE A 90 11.217 3.773 4.378 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.594 1.470 7.115 1.00 0.57 H new ATOM 0 HE1 PHE A 90 13.163 5.245 3.928 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.539 2.938 6.665 1.00 0.69 H new ATOM 0 HZ PHE A 90 15.324 4.827 5.073 1.00 0.72 H new ATOM 550 N LEU A 91 8.436 2.935 5.840 1.00 0.37 N ATOM 551 CA LEU A 91 7.470 3.941 5.322 1.00 0.42 C ATOM 552 C LEU A 91 6.591 4.463 6.466 1.00 0.47 C ATOM 553 O LEU A 91 6.106 5.573 6.422 1.00 0.57 O ATOM 554 CB LEU A 91 6.580 3.287 4.260 1.00 0.41 C ATOM 555 CG LEU A 91 7.401 2.986 2.989 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.774 1.808 2.238 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.411 4.213 2.066 1.00 0.54 C ATOM 0 H LEU A 91 8.339 1.999 5.446 1.00 0.37 H new ATOM 0 HA LEU A 91 8.021 4.774 4.885 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.152 2.365 4.652 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.747 3.947 4.016 1.00 0.41 H new ATOM 0 HG LEU A 91 8.422 2.740 3.281 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.356 1.597 1.341 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.768 0.928 2.881 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.751 2.059 1.957 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.993 3.991 1.172 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.389 4.462 1.781 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.858 5.058 2.589 1.00 0.54 H new ATOM 569 N LYS A 92 6.364 3.674 7.485 1.00 0.45 N ATOM 570 CA LYS A 92 5.499 4.153 8.601 1.00 0.53 C ATOM 571 C LYS A 92 6.172 5.340 9.297 1.00 0.63 C ATOM 572 O LYS A 92 5.578 6.384 9.480 1.00 0.85 O ATOM 573 CB LYS A 92 5.282 3.009 9.611 1.00 0.54 C ATOM 574 CG LYS A 92 4.081 3.305 10.544 1.00 0.73 C ATOM 575 CD LYS A 92 4.536 4.079 11.788 1.00 1.20 C ATOM 576 CE LYS A 92 3.363 4.206 12.761 1.00 1.61 C ATOM 577 NZ LYS A 92 2.129 4.564 12.006 1.00 2.27 N ATOM 0 H LYS A 92 6.736 2.730 7.591 1.00 0.45 H new ATOM 0 HA LYS A 92 4.534 4.470 8.205 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.108 2.076 9.075 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.184 2.871 10.207 1.00 0.54 H new ATOM 0 HG2 LYS A 92 3.330 3.883 10.005 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.609 2.370 10.845 1.00 0.73 H new ATOM 0 HD2 LYS A 92 5.367 3.563 12.268 1.00 1.20 H new ATOM 0 HD3 LYS A 92 4.896 5.068 11.504 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.216 3.267 13.295 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.578 4.968 13.510 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.437 4.992 12.654 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 2.366 5.244 11.255 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 1.721 3.707 11.581 1.00 2.27 H new ATOM 591 N GLU A 93 7.400 5.180 9.701 1.00 0.62 N ATOM 592 CA GLU A 93 8.109 6.286 10.403 1.00 0.76 C ATOM 593 C GLU A 93 8.439 7.429 9.434 1.00 0.77 C ATOM 594 O GLU A 93 7.976 8.541 9.593 1.00 1.05 O ATOM 595 CB GLU A 93 9.409 5.750 11.007 1.00 0.94 C ATOM 596 CG GLU A 93 9.095 4.601 11.971 1.00 1.22 C ATOM 597 CD GLU A 93 10.375 3.816 12.266 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.317 4.418 12.756 1.00 2.73 O ATOM 599 OE2 GLU A 93 10.394 2.626 11.996 1.00 2.54 O ATOM 0 H GLU A 93 7.946 4.328 9.575 1.00 0.62 H new ATOM 0 HA GLU A 93 7.457 6.671 11.187 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.073 5.402 10.215 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.932 6.548 11.535 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.675 4.994 12.897 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.344 3.942 11.535 1.00 1.22 H new ATOM 606 N LYS A 94 9.264 7.172 8.454 1.00 0.80 N ATOM 607 CA LYS A 94 9.659 8.253 7.498 1.00 1.02 C ATOM 608 C LYS A 94 8.545 8.548 6.490 1.00 0.96 C ATOM 609 O LYS A 94 8.617 9.517 5.761 1.00 1.41 O ATOM 610 CB LYS A 94 10.912 7.820 6.737 1.00 1.39 C ATOM 611 CG LYS A 94 12.113 7.815 7.684 1.00 1.63 C ATOM 612 CD LYS A 94 13.344 7.288 6.943 1.00 2.18 C ATOM 613 CE LYS A 94 14.541 7.271 7.893 1.00 2.61 C ATOM 614 NZ LYS A 94 14.814 8.656 8.372 1.00 2.96 N ATOM 0 H LYS A 94 9.683 6.260 8.272 1.00 0.80 H new ATOM 0 HA LYS A 94 9.850 9.158 8.074 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.767 6.826 6.313 1.00 1.39 H new ATOM 0 HB3 LYS A 94 11.096 8.498 5.904 1.00 1.39 H new ATOM 0 HG2 LYS A 94 12.302 8.823 8.054 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.903 7.190 8.552 1.00 1.63 H new ATOM 0 HD2 LYS A 94 13.152 6.284 6.565 1.00 2.18 H new ATOM 0 HD3 LYS A 94 13.560 7.918 6.080 1.00 2.18 H new ATOM 0 HE2 LYS A 94 14.338 6.615 8.740 1.00 2.61 H new ATOM 0 HE3 LYS A 94 15.418 6.871 7.383 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.840 8.827 8.373 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 14.350 9.340 7.740 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.443 8.769 9.337 1.00 2.96 H new ATOM 628 N GLY A 95 7.525 7.729 6.430 1.00 1.12 N ATOM 629 CA GLY A 95 6.411 7.971 5.450 1.00 1.51 C ATOM 630 C GLY A 95 5.068 7.976 6.184 1.00 1.10 C ATOM 631 O GLY A 95 4.963 7.520 7.305 1.00 1.71 O ATOM 0 H GLY A 95 7.412 6.902 7.016 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.562 8.923 4.942 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.414 7.196 4.683 1.00 1.51 H new ATOM 635 N GLY A 96 4.039 8.489 5.550 1.00 1.17 N ATOM 636 CA GLY A 96 2.684 8.533 6.184 1.00 0.99 C ATOM 637 C GLY A 96 1.671 7.875 5.248 1.00 0.81 C ATOM 638 O GLY A 96 0.728 8.496 4.800 1.00 0.83 O ATOM 0 H GLY A 96 4.082 8.883 4.610 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.701 8.015 7.143 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.396 9.565 6.384 1.00 0.99 H new ATOM 642 N LEU A 97 1.856 6.618 4.952 1.00 0.67 N ATOM 643 CA LEU A 97 0.902 5.916 4.049 1.00 0.55 C ATOM 644 C LEU A 97 -0.337 5.529 4.861 1.00 0.46 C ATOM 645 O LEU A 97 -1.447 5.531 4.366 1.00 0.49 O ATOM 646 CB LEU A 97 1.578 4.655 3.484 1.00 0.54 C ATOM 647 CG LEU A 97 0.655 3.942 2.471 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.779 4.594 1.090 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.061 2.469 2.352 1.00 0.66 C ATOM 0 H LEU A 97 2.627 6.047 5.297 1.00 0.67 H new ATOM 0 HA LEU A 97 0.611 6.563 3.221 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.516 4.926 2.999 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.826 3.974 4.298 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.373 4.023 2.823 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.123 4.082 0.386 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.492 5.643 1.156 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.810 4.521 0.745 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.408 1.968 1.637 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.094 2.403 2.009 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.970 1.987 3.325 1.00 0.66 H new ATOM 661 N GLU A 98 -0.153 5.205 6.111 1.00 0.44 N ATOM 662 CA GLU A 98 -1.311 4.826 6.966 1.00 0.40 C ATOM 663 C GLU A 98 -2.401 5.886 6.854 1.00 0.40 C ATOM 664 O GLU A 98 -2.138 7.062 6.694 1.00 0.58 O ATOM 665 CB GLU A 98 -0.852 4.725 8.425 1.00 0.49 C ATOM 666 CG GLU A 98 -2.044 4.408 9.343 1.00 0.48 C ATOM 667 CD GLU A 98 -2.829 5.686 9.652 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.204 6.670 10.015 1.00 2.03 O ATOM 669 OE2 GLU A 98 -4.042 5.659 9.522 1.00 1.94 O ATOM 0 H GLU A 98 0.754 5.187 6.578 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.705 3.865 6.636 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.094 3.947 8.521 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.388 5.662 8.732 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.697 3.678 8.864 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.689 3.958 10.270 1.00 0.48 H new ATOM 676 N GLY A 99 -3.623 5.468 6.966 1.00 0.39 N ATOM 677 CA GLY A 99 -4.765 6.421 6.900 1.00 0.42 C ATOM 678 C GLY A 99 -4.702 7.278 5.627 1.00 0.42 C ATOM 679 O GLY A 99 -5.549 8.121 5.406 1.00 0.46 O ATOM 0 H GLY A 99 -3.887 4.492 7.103 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.704 5.869 6.923 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.753 7.068 7.777 1.00 0.42 H new ATOM 683 N LEU A 100 -3.726 7.078 4.782 1.00 0.41 N ATOM 684 CA LEU A 100 -3.660 7.900 3.536 1.00 0.43 C ATOM 685 C LEU A 100 -4.735 7.404 2.566 1.00 0.42 C ATOM 686 O LEU A 100 -4.699 6.279 2.110 1.00 0.44 O ATOM 687 CB LEU A 100 -2.274 7.769 2.887 1.00 0.45 C ATOM 688 CG LEU A 100 -2.043 8.930 1.893 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.484 10.154 2.630 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.040 8.499 0.816 1.00 1.17 C ATOM 0 H LEU A 100 -2.981 6.391 4.896 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.830 8.949 3.779 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.501 7.778 3.656 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.195 6.814 2.368 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.996 9.187 1.431 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.325 10.965 1.920 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.193 10.474 3.394 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.536 9.894 3.101 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.880 9.321 0.118 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.093 8.233 1.286 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.433 7.636 0.278 1.00 1.17 H new ATOM 702 N ILE A 101 -5.707 8.223 2.266 1.00 0.44 N ATOM 703 CA ILE A 101 -6.791 7.777 1.348 1.00 0.45 C ATOM 704 C ILE A 101 -6.213 7.428 -0.032 1.00 0.46 C ATOM 705 O ILE A 101 -5.899 8.287 -0.832 1.00 0.49 O ATOM 706 CB ILE A 101 -7.880 8.868 1.265 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.790 8.782 2.516 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.726 8.698 0.002 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.825 7.638 2.388 1.00 0.52 C ATOM 0 H ILE A 101 -5.796 9.177 2.616 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.255 6.871 1.738 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.394 9.843 1.225 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.177 8.622 3.403 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.310 9.730 2.655 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.486 9.478 -0.034 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.086 8.774 -0.877 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.209 7.721 0.016 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.446 7.607 3.283 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.455 7.813 1.516 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.304 6.687 2.275 1.00 0.52 H new ATOM 721 N HIS A 102 -6.080 6.150 -0.299 1.00 0.47 N ATOM 722 CA HIS A 102 -5.537 5.680 -1.608 1.00 0.51 C ATOM 723 C HIS A 102 -6.491 6.063 -2.740 1.00 0.58 C ATOM 724 O HIS A 102 -7.535 5.456 -2.917 1.00 0.64 O ATOM 725 CB HIS A 102 -5.389 4.151 -1.582 1.00 0.57 C ATOM 726 CG HIS A 102 -4.985 3.657 -2.945 1.00 0.64 C ATOM 727 ND1 HIS A 102 -4.650 4.524 -3.973 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.892 2.395 -3.474 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.377 3.778 -5.059 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.508 2.473 -4.808 1.00 0.70 N ATOM 0 H HIS A 102 -6.330 5.402 0.348 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.567 6.148 -1.775 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.642 3.861 -0.843 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.330 3.690 -1.282 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -5.087 1.479 -2.936 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -4.087 4.185 -6.017 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.358 1.699 -5.456 1.00 0.70 H new ATOM 738 N SER A 103 -6.127 7.047 -3.519 1.00 0.60 N ATOM 739 CA SER A 103 -6.987 7.461 -4.659 1.00 0.69 C ATOM 740 C SER A 103 -6.998 6.341 -5.706 1.00 0.76 C ATOM 741 O SER A 103 -7.703 5.361 -5.574 1.00 0.85 O ATOM 742 CB SER A 103 -6.426 8.745 -5.278 1.00 0.74 C ATOM 743 OG SER A 103 -6.806 9.857 -4.478 1.00 1.49 O ATOM 0 H SER A 103 -5.266 7.583 -3.412 1.00 0.60 H new ATOM 0 HA SER A 103 -8.003 7.646 -4.312 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.340 8.685 -5.346 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.802 8.867 -6.294 1.00 0.74 H new ATOM 0 HG SER A 103 -7.137 10.577 -5.055 1.00 1.49 H new ATOM 749 N GLN A 104 -6.209 6.480 -6.740 1.00 0.81 N ATOM 750 CA GLN A 104 -6.151 5.430 -7.802 1.00 0.92 C ATOM 751 C GLN A 104 -4.713 5.332 -8.322 1.00 0.93 C ATOM 752 O GLN A 104 -4.166 4.257 -8.470 1.00 1.37 O ATOM 753 CB GLN A 104 -7.089 5.817 -8.958 1.00 1.06 C ATOM 754 CG GLN A 104 -8.529 5.427 -8.615 1.00 1.76 C ATOM 755 CD GLN A 104 -8.674 3.905 -8.678 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.811 3.342 -9.746 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.647 3.211 -7.574 1.00 2.70 N ATOM 0 H GLN A 104 -5.598 7.282 -6.896 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.464 4.470 -7.392 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.028 6.889 -9.144 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.776 5.317 -9.874 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -8.787 5.787 -7.619 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -9.221 5.898 -9.313 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -8.532 3.683 -6.677 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.741 2.196 -7.607 1.00 2.70 H new ATOM 766 N ARG A 105 -4.102 6.450 -8.606 1.00 0.83 N ATOM 767 CA ARG A 105 -2.701 6.437 -9.125 1.00 0.87 C ATOM 768 C ARG A 105 -1.709 6.442 -7.956 1.00 0.74 C ATOM 769 O ARG A 105 -0.542 6.147 -8.121 1.00 0.70 O ATOM 770 CB ARG A 105 -2.465 7.675 -9.997 1.00 1.06 C ATOM 771 CG ARG A 105 -2.917 8.938 -9.247 1.00 1.71 C ATOM 772 CD ARG A 105 -2.658 10.198 -10.107 1.00 1.99 C ATOM 773 NE ARG A 105 -2.033 11.275 -9.272 1.00 2.86 N ATOM 774 CZ ARG A 105 -2.499 11.579 -8.087 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.580 11.008 -7.631 1.00 3.73 N ATOM 776 NH2 ARG A 105 -1.894 12.485 -7.369 1.00 4.61 N ATOM 0 H ARG A 105 -4.514 7.377 -8.501 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.551 5.536 -9.720 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -1.409 7.753 -10.254 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -3.015 7.581 -10.933 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.978 8.866 -9.007 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -2.381 9.019 -8.302 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.003 9.949 -10.942 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.595 10.556 -10.533 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.226 11.782 -9.636 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -4.071 10.317 -8.199 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -3.934 11.252 -6.706 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -1.063 12.952 -7.732 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -2.252 12.726 -6.445 1.00 4.61 H new ATOM 790 N ARG A 106 -2.160 6.779 -6.778 1.00 0.71 N ATOM 791 CA ARG A 106 -1.234 6.808 -5.611 1.00 0.65 C ATOM 792 C ARG A 106 -0.539 5.449 -5.471 1.00 0.54 C ATOM 793 O ARG A 106 0.564 5.359 -4.973 1.00 0.50 O ATOM 794 CB ARG A 106 -2.026 7.126 -4.335 1.00 0.70 C ATOM 795 CG ARG A 106 -2.326 8.634 -4.279 1.00 1.01 C ATOM 796 CD ARG A 106 -3.058 8.993 -2.966 1.00 1.24 C ATOM 797 NE ARG A 106 -4.167 9.964 -3.249 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.976 11.012 -4.012 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.782 11.313 -4.441 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.984 11.787 -4.311 1.00 3.29 N ATOM 0 H ARG A 106 -3.126 7.035 -6.574 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.479 7.579 -5.765 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.957 6.559 -4.321 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.456 6.825 -3.456 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.396 9.198 -4.350 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -2.939 8.921 -5.134 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.461 8.091 -2.506 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.355 9.427 -2.255 1.00 1.24 H new ATOM 0 HE ARG A 106 -5.087 9.805 -2.839 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -1.986 10.730 -4.183 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -2.645 12.131 -5.034 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -5.915 11.575 -3.951 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.841 12.604 -4.905 1.00 3.29 H new ATOM 814 N GLN A 107 -1.166 4.392 -5.914 1.00 0.55 N ATOM 815 CA GLN A 107 -0.520 3.051 -5.805 1.00 0.52 C ATOM 816 C GLN A 107 0.748 3.038 -6.662 1.00 0.49 C ATOM 817 O GLN A 107 1.774 2.527 -6.262 1.00 0.44 O ATOM 818 CB GLN A 107 -1.478 1.969 -6.308 1.00 0.63 C ATOM 819 CG GLN A 107 -0.786 0.605 -6.247 1.00 1.11 C ATOM 820 CD GLN A 107 -1.808 -0.501 -6.516 1.00 1.53 C ATOM 821 OE1 GLN A 107 -1.469 -1.668 -6.528 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.054 -0.182 -6.733 1.00 2.12 N ATOM 0 H GLN A 107 -2.091 4.398 -6.344 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.270 2.853 -4.763 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.382 1.957 -5.699 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.785 2.187 -7.331 1.00 0.63 H new ATOM 0 HG2 GLN A 107 0.016 0.560 -6.983 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.329 0.461 -5.268 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.339 0.797 -6.723 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.743 -0.912 -6.913 1.00 2.12 H new ATOM 831 N ASP A 108 0.682 3.600 -7.838 1.00 0.56 N ATOM 832 CA ASP A 108 1.880 3.625 -8.723 1.00 0.59 C ATOM 833 C ASP A 108 3.034 4.314 -7.996 1.00 0.54 C ATOM 834 O ASP A 108 4.133 3.801 -7.928 1.00 0.54 O ATOM 835 CB ASP A 108 1.554 4.401 -9.999 1.00 0.72 C ATOM 836 CG ASP A 108 0.440 3.683 -10.762 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.421 3.112 -10.113 1.00 1.42 O ATOM 838 OD2 ASP A 108 0.465 3.719 -11.980 1.00 1.33 O ATOM 0 H ASP A 108 -0.151 4.043 -8.224 1.00 0.56 H new ATOM 0 HA ASP A 108 2.164 2.604 -8.978 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.244 5.416 -9.751 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.443 4.483 -10.624 1.00 0.72 H new ATOM 843 N ILE A 109 2.792 5.474 -7.452 1.00 0.55 N ATOM 844 CA ILE A 109 3.875 6.199 -6.727 1.00 0.54 C ATOM 845 C ILE A 109 4.558 5.242 -5.750 1.00 0.47 C ATOM 846 O ILE A 109 5.738 4.967 -5.853 1.00 0.53 O ATOM 847 CB ILE A 109 3.274 7.379 -5.957 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.446 8.243 -6.913 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.398 8.224 -5.352 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.806 9.396 -6.138 1.00 1.47 C ATOM 0 H ILE A 109 1.891 5.952 -7.478 1.00 0.55 H new ATOM 0 HA ILE A 109 4.608 6.572 -7.442 1.00 0.54 H new ATOM 0 HB ILE A 109 2.635 7.002 -5.159 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.081 8.634 -7.708 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.674 7.639 -7.389 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.968 9.063 -4.805 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.988 7.611 -4.671 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.039 8.601 -6.149 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.217 10.010 -6.820 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.158 8.995 -5.359 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.586 10.006 -5.683 1.00 1.47 H new ATOM 862 N LEU A 110 3.824 4.727 -4.802 1.00 0.43 N ATOM 863 CA LEU A 110 4.426 3.785 -3.818 1.00 0.39 C ATOM 864 C LEU A 110 5.183 2.682 -4.564 1.00 0.38 C ATOM 865 O LEU A 110 6.392 2.586 -4.493 1.00 0.38 O ATOM 866 CB LEU A 110 3.308 3.163 -2.971 1.00 0.42 C ATOM 867 CG LEU A 110 3.887 2.163 -1.958 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.834 2.883 -0.986 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.734 1.527 -1.174 1.00 0.66 C ATOM 0 H LEU A 110 2.831 4.919 -4.667 1.00 0.43 H new ATOM 0 HA LEU A 110 5.120 4.321 -3.171 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.764 3.948 -2.445 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.592 2.658 -3.619 1.00 0.42 H new ATOM 0 HG LEU A 110 4.447 1.393 -2.488 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.238 2.165 -0.273 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.651 3.339 -1.545 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.285 3.657 -0.450 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.134 0.815 -0.452 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.179 2.304 -0.648 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.068 1.009 -1.863 1.00 0.66 H new ATOM 881 N ASP A 111 4.475 1.843 -5.269 1.00 0.40 N ATOM 882 CA ASP A 111 5.139 0.734 -6.011 1.00 0.42 C ATOM 883 C ASP A 111 6.290 1.282 -6.862 1.00 0.43 C ATOM 884 O ASP A 111 7.403 0.798 -6.802 1.00 0.42 O ATOM 885 CB ASP A 111 4.114 0.051 -6.920 1.00 0.50 C ATOM 886 CG ASP A 111 2.885 -0.344 -6.099 1.00 0.59 C ATOM 887 OD1 ASP A 111 2.828 0.024 -4.937 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.021 -1.011 -6.646 1.00 1.19 O ATOM 0 H ASP A 111 3.460 1.878 -5.363 1.00 0.40 H new ATOM 0 HA ASP A 111 5.539 0.015 -5.296 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.824 0.723 -7.728 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.554 -0.832 -7.383 1.00 0.50 H new ATOM 893 N LEU A 112 6.034 2.284 -7.659 1.00 0.48 N ATOM 894 CA LEU A 112 7.120 2.845 -8.511 1.00 0.52 C ATOM 895 C LEU A 112 8.237 3.387 -7.621 1.00 0.48 C ATOM 896 O LEU A 112 9.403 3.171 -7.873 1.00 0.47 O ATOM 897 CB LEU A 112 6.558 3.978 -9.380 1.00 0.60 C ATOM 898 CG LEU A 112 7.595 4.394 -10.449 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.449 3.515 -11.698 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.369 5.857 -10.848 1.00 1.26 C ATOM 0 H LEU A 112 5.125 2.736 -7.756 1.00 0.48 H new ATOM 0 HA LEU A 112 7.518 2.061 -9.155 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.637 3.653 -9.863 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.305 4.835 -8.755 1.00 0.60 H new ATOM 0 HG LEU A 112 8.594 4.271 -10.030 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.184 3.817 -12.444 1.00 1.45 H new ATOM 0 HD12 LEU A 112 7.612 2.471 -11.430 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.446 3.631 -12.109 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.102 6.146 -11.601 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.365 5.972 -11.256 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.480 6.495 -9.971 1.00 1.26 H new ATOM 912 N TRP A 113 7.897 4.083 -6.575 1.00 0.48 N ATOM 913 CA TRP A 113 8.955 4.623 -5.676 1.00 0.48 C ATOM 914 C TRP A 113 9.902 3.485 -5.291 1.00 0.43 C ATOM 915 O TRP A 113 11.105 3.610 -5.388 1.00 0.45 O ATOM 916 CB TRP A 113 8.297 5.211 -4.423 1.00 0.52 C ATOM 917 CG TRP A 113 9.333 5.811 -3.525 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.877 7.041 -3.680 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.945 5.240 -2.333 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.793 7.254 -2.665 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.868 6.174 -1.808 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.794 4.012 -1.664 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.614 5.902 -0.661 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.542 3.734 -0.508 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.449 4.677 -0.008 1.00 0.67 C ATOM 0 H TRP A 113 6.938 4.301 -6.303 1.00 0.48 H new ATOM 0 HA TRP A 113 9.519 5.407 -6.181 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.569 5.971 -4.709 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.752 4.432 -3.891 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.636 7.741 -4.466 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.346 8.105 -2.562 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.098 3.278 -2.042 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.313 6.632 -0.281 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.417 2.788 -0.002 1.00 0.58 H new ATOM 0 HH2 TRP A 113 12.021 4.458 0.882 1.00 0.67 H new ATOM 936 N ILE A 114 9.371 2.370 -4.874 1.00 0.39 N ATOM 937 CA ILE A 114 10.252 1.227 -4.505 1.00 0.37 C ATOM 938 C ILE A 114 11.085 0.829 -5.726 1.00 0.39 C ATOM 939 O ILE A 114 12.114 0.195 -5.612 1.00 0.44 O ATOM 940 CB ILE A 114 9.397 0.032 -4.064 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.470 0.440 -2.898 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.309 -1.129 -3.645 1.00 0.42 C ATOM 943 CD1 ILE A 114 9.213 0.414 -1.550 1.00 1.00 C ATOM 0 H ILE A 114 8.370 2.201 -4.773 1.00 0.39 H new ATOM 0 HA ILE A 114 10.907 1.521 -3.684 1.00 0.37 H new ATOM 0 HB ILE A 114 8.775 -0.291 -4.899 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.076 1.440 -3.078 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.616 -0.236 -2.857 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.699 -1.976 -3.332 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.934 -1.423 -4.488 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.943 -0.813 -2.817 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.530 0.707 -0.752 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.584 -0.593 -1.359 1.00 1.00 H new ATOM 0 HD13 ILE A 114 10.051 1.110 -1.583 1.00 1.00 H new ATOM 955 N TYR A 115 10.638 1.181 -6.901 1.00 0.40 N ATOM 956 CA TYR A 115 11.401 0.813 -8.125 1.00 0.46 C ATOM 957 C TYR A 115 12.725 1.587 -8.195 1.00 0.51 C ATOM 958 O TYR A 115 13.791 1.027 -8.028 1.00 0.54 O ATOM 959 CB TYR A 115 10.562 1.128 -9.371 1.00 0.53 C ATOM 960 CG TYR A 115 11.090 0.344 -10.555 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.971 -1.050 -10.576 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.695 1.010 -11.631 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.456 -1.779 -11.667 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.180 0.280 -12.723 1.00 0.82 C ATOM 965 CZ TYR A 115 12.060 -1.114 -12.742 1.00 0.77 C ATOM 966 OH TYR A 115 12.538 -1.834 -13.818 1.00 0.87 O ATOM 0 H TYR A 115 9.779 1.706 -7.065 1.00 0.40 H new ATOM 0 HA TYR A 115 11.621 -0.254 -8.086 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.517 0.874 -9.191 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.598 2.196 -9.585 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.504 -1.564 -9.749 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.787 2.086 -11.617 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.365 -2.855 -11.681 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.647 0.793 -13.551 1.00 0.82 H new ATOM 0 HH TYR A 115 12.926 -1.220 -14.476 1.00 0.87 H new ATOM 976 N HIS A 116 12.667 2.864 -8.479 1.00 0.58 N ATOM 977 CA HIS A 116 13.924 3.666 -8.606 1.00 0.67 C ATOM 978 C HIS A 116 14.652 3.803 -7.260 1.00 0.67 C ATOM 979 O HIS A 116 15.504 4.656 -7.104 1.00 0.81 O ATOM 980 CB HIS A 116 13.588 5.051 -9.185 1.00 0.79 C ATOM 981 CG HIS A 116 13.052 5.970 -8.118 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.702 5.523 -6.855 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.816 7.323 -8.114 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.284 6.588 -6.149 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.332 7.710 -6.869 1.00 2.74 N ATOM 0 H HIS A 116 11.804 3.387 -8.629 1.00 0.58 H new ATOM 0 HA HIS A 116 14.600 3.142 -9.282 1.00 0.67 H new ATOM 0 HB2 HIS A 116 14.481 5.489 -9.631 1.00 0.79 H new ATOM 0 HB3 HIS A 116 12.852 4.946 -9.982 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.981 7.986 -8.951 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.950 6.541 -5.123 1.00 2.71 H new ATOM 0 HE2 HIS A 116 12.070 8.650 -6.571 1.00 2.74 H new ATOM 993 N THR A 117 14.340 2.981 -6.291 1.00 0.63 N ATOM 994 CA THR A 117 15.040 3.089 -4.969 1.00 0.68 C ATOM 995 C THR A 117 16.233 2.130 -4.957 1.00 0.66 C ATOM 996 O THR A 117 17.269 2.427 -5.519 1.00 0.73 O ATOM 997 CB THR A 117 14.068 2.748 -3.827 1.00 0.80 C ATOM 998 OG1 THR A 117 13.199 1.709 -4.241 1.00 0.85 O ATOM 999 CG2 THR A 117 13.241 3.985 -3.454 1.00 0.91 C ATOM 0 H THR A 117 13.637 2.244 -6.354 1.00 0.63 H new ATOM 0 HA THR A 117 15.394 4.110 -4.824 1.00 0.68 H new ATOM 0 HB THR A 117 14.640 2.424 -2.957 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.654 1.146 -4.902 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.556 3.734 -2.645 1.00 0.91 H new ATOM 0 HG22 THR A 117 13.908 4.784 -3.130 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.671 4.317 -4.322 1.00 0.91 H new ATOM 1007 N GLN A 118 16.120 0.979 -4.340 1.00 0.73 N ATOM 1008 CA GLN A 118 17.264 0.046 -4.335 1.00 0.83 C ATOM 1009 C GLN A 118 17.205 -0.794 -5.604 1.00 0.72 C ATOM 1010 O GLN A 118 17.311 -0.293 -6.707 1.00 0.91 O ATOM 1011 CB GLN A 118 17.189 -0.868 -3.099 1.00 1.06 C ATOM 1012 CG GLN A 118 17.090 -0.025 -1.822 1.00 1.48 C ATOM 1013 CD GLN A 118 15.654 0.481 -1.613 1.00 2.12 C ATOM 1014 OE1 GLN A 118 15.441 1.419 -0.872 1.00 2.89 O ATOM 1015 NE2 GLN A 118 14.652 -0.093 -2.230 1.00 2.13 N ATOM 0 H GLN A 118 15.288 0.657 -3.846 1.00 0.73 H new ATOM 0 HA GLN A 118 18.200 0.603 -4.299 1.00 0.83 H new ATOM 0 HB2 GLN A 118 16.324 -1.527 -3.177 1.00 1.06 H new ATOM 0 HB3 GLN A 118 18.072 -1.506 -3.055 1.00 1.06 H new ATOM 0 HG2 GLN A 118 17.399 -0.620 -0.963 1.00 1.48 H new ATOM 0 HG3 GLN A 118 17.773 0.822 -1.886 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.822 -0.882 -2.854 1.00 2.13 H new ATOM 0 HE22 GLN A 118 13.702 0.248 -2.086 1.00 2.13 H new ATOM 1024 N GLY A 119 17.033 -2.069 -5.440 1.00 0.86 N ATOM 1025 CA GLY A 119 16.956 -3.008 -6.607 1.00 0.85 C ATOM 1026 C GLY A 119 15.641 -3.785 -6.554 1.00 0.65 C ATOM 1027 O GLY A 119 15.415 -4.690 -7.331 1.00 0.67 O ATOM 0 H GLY A 119 16.939 -2.519 -4.529 1.00 0.86 H new ATOM 0 HA2 GLY A 119 17.023 -2.450 -7.541 1.00 0.85 H new ATOM 0 HA3 GLY A 119 17.799 -3.699 -6.587 1.00 0.85 H new ATOM 1031 N TYR A 120 14.786 -3.465 -5.623 1.00 0.54 N ATOM 1032 CA TYR A 120 13.508 -4.219 -5.508 1.00 0.44 C ATOM 1033 C TYR A 120 12.550 -3.835 -6.631 1.00 0.49 C ATOM 1034 O TYR A 120 12.562 -2.729 -7.133 1.00 0.70 O ATOM 1035 CB TYR A 120 12.852 -3.919 -4.158 1.00 0.48 C ATOM 1036 CG TYR A 120 13.755 -4.410 -3.051 1.00 0.52 C ATOM 1037 CD1 TYR A 120 14.015 -5.779 -2.921 1.00 0.58 C ATOM 1038 CD2 TYR A 120 14.337 -3.500 -2.160 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.856 -6.240 -1.901 1.00 0.71 C ATOM 1040 CE2 TYR A 120 15.180 -3.959 -1.141 1.00 0.71 C ATOM 1041 CZ TYR A 120 15.439 -5.329 -1.011 1.00 0.75 C ATOM 1042 OH TYR A 120 16.270 -5.783 -0.008 1.00 0.91 O ATOM 0 H TYR A 120 14.916 -2.718 -4.941 1.00 0.54 H new ATOM 0 HA TYR A 120 13.729 -5.284 -5.584 1.00 0.44 H new ATOM 0 HB2 TYR A 120 12.678 -2.848 -4.054 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.880 -4.408 -4.095 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.566 -6.481 -3.608 1.00 0.58 H new ATOM 0 HD2 TYR A 120 14.135 -2.444 -2.259 1.00 0.60 H new ATOM 0 HE1 TYR A 120 15.055 -7.297 -1.801 1.00 0.71 H new ATOM 0 HE2 TYR A 120 15.630 -3.257 -0.455 1.00 0.71 H new ATOM 0 HH TYR A 120 16.591 -5.022 0.520 1.00 0.91 H new ATOM 1052 N PHE A 121 11.710 -4.761 -7.012 1.00 0.48 N ATOM 1053 CA PHE A 121 10.712 -4.510 -8.096 1.00 0.57 C ATOM 1054 C PHE A 121 9.337 -4.950 -7.583 1.00 0.55 C ATOM 1055 O PHE A 121 9.246 -5.821 -6.741 1.00 0.59 O ATOM 1056 CB PHE A 121 11.091 -5.335 -9.328 1.00 0.68 C ATOM 1057 CG PHE A 121 11.572 -6.696 -8.887 1.00 1.42 C ATOM 1058 CD1 PHE A 121 12.871 -6.848 -8.390 1.00 2.33 C ATOM 1059 CD2 PHE A 121 10.721 -7.804 -8.973 1.00 2.32 C ATOM 1060 CE1 PHE A 121 13.320 -8.109 -7.979 1.00 3.43 C ATOM 1061 CE2 PHE A 121 11.169 -9.065 -8.562 1.00 3.44 C ATOM 1062 CZ PHE A 121 12.470 -9.217 -8.066 1.00 3.85 C ATOM 0 H PHE A 121 11.672 -5.698 -6.611 1.00 0.48 H new ATOM 0 HA PHE A 121 10.693 -3.454 -8.367 1.00 0.57 H new ATOM 0 HB2 PHE A 121 10.231 -5.437 -9.990 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.871 -4.827 -9.895 1.00 0.68 H new ATOM 0 HD1 PHE A 121 13.527 -5.993 -8.323 1.00 2.33 H new ATOM 0 HD2 PHE A 121 9.718 -7.686 -9.357 1.00 2.32 H new ATOM 0 HE1 PHE A 121 14.323 -8.226 -7.595 1.00 3.43 H new ATOM 0 HE2 PHE A 121 10.512 -9.920 -8.627 1.00 3.44 H new ATOM 0 HZ PHE A 121 12.817 -10.190 -7.751 1.00 3.85 H new ATOM 1072 N PRO A 122 8.276 -4.360 -8.066 1.00 0.64 N ATOM 1073 CA PRO A 122 6.901 -4.715 -7.615 1.00 0.67 C ATOM 1074 C PRO A 122 6.471 -6.109 -8.080 1.00 0.73 C ATOM 1075 O PRO A 122 6.102 -6.322 -9.217 1.00 1.19 O ATOM 1076 CB PRO A 122 6.019 -3.623 -8.237 1.00 0.80 C ATOM 1077 CG PRO A 122 6.772 -3.172 -9.447 1.00 1.05 C ATOM 1078 CD PRO A 122 8.255 -3.294 -9.085 1.00 0.87 C ATOM 0 HA PRO A 122 6.828 -4.757 -6.528 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.036 -4.012 -8.504 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.858 -2.800 -7.541 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.529 -3.789 -10.312 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.516 -2.145 -9.707 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.859 -3.557 -9.953 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.651 -2.357 -8.693 1.00 0.87 H new ATOM 1086 N ASP A 123 6.502 -7.045 -7.183 1.00 0.56 N ATOM 1087 CA ASP A 123 6.085 -8.434 -7.501 1.00 0.64 C ATOM 1088 C ASP A 123 5.607 -9.056 -6.197 1.00 0.58 C ATOM 1089 O ASP A 123 5.573 -10.259 -6.029 1.00 0.65 O ATOM 1090 CB ASP A 123 7.274 -9.227 -8.051 1.00 0.74 C ATOM 1091 CG ASP A 123 8.420 -9.201 -7.037 1.00 0.77 C ATOM 1092 OD1 ASP A 123 9.080 -8.179 -6.944 1.00 1.38 O ATOM 1093 OD2 ASP A 123 8.617 -10.203 -6.370 1.00 1.27 O ATOM 0 H ASP A 123 6.806 -6.904 -6.220 1.00 0.56 H new ATOM 0 HA ASP A 123 5.298 -8.443 -8.255 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.976 -10.256 -8.252 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.603 -8.799 -8.998 1.00 0.74 H new ATOM 1098 N TRP A 124 5.252 -8.213 -5.261 1.00 0.53 N ATOM 1099 CA TRP A 124 4.781 -8.682 -3.928 1.00 0.52 C ATOM 1100 C TRP A 124 3.503 -7.942 -3.557 1.00 0.51 C ATOM 1101 O TRP A 124 2.710 -8.396 -2.756 1.00 0.55 O ATOM 1102 CB TRP A 124 5.863 -8.367 -2.895 1.00 0.49 C ATOM 1103 CG TRP A 124 6.188 -6.905 -2.971 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.134 -6.351 -3.770 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.570 -5.801 -2.245 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.145 -4.982 -3.567 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.197 -4.595 -2.639 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.540 -5.732 -1.290 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.815 -3.364 -2.106 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.152 -4.494 -0.752 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.788 -3.313 -1.159 1.00 0.55 C ATOM 0 H TRP A 124 5.270 -7.199 -5.370 1.00 0.53 H new ATOM 0 HA TRP A 124 4.584 -9.754 -3.954 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.517 -8.626 -1.894 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.755 -8.963 -3.088 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.774 -6.890 -4.453 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.776 -4.338 -4.044 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.045 -6.636 -0.968 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.309 -2.457 -2.422 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.359 -4.452 -0.020 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.485 -2.364 -0.741 1.00 0.55 H new ATOM 1122 N GLN A 125 3.307 -6.806 -4.139 1.00 0.53 N ATOM 1123 CA GLN A 125 2.087 -6.010 -3.843 1.00 0.60 C ATOM 1124 C GLN A 125 0.891 -6.665 -4.532 1.00 0.66 C ATOM 1125 O GLN A 125 0.673 -6.499 -5.715 1.00 0.84 O ATOM 1126 CB GLN A 125 2.275 -4.570 -4.347 1.00 0.69 C ATOM 1127 CG GLN A 125 2.481 -4.545 -5.887 1.00 1.56 C ATOM 1128 CD GLN A 125 1.191 -4.111 -6.598 1.00 2.18 C ATOM 1129 OE1 GLN A 125 0.118 -4.177 -6.032 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.253 -3.670 -7.825 1.00 2.82 N ATOM 0 H GLN A 125 3.943 -6.385 -4.816 1.00 0.53 H new ATOM 0 HA GLN A 125 1.911 -5.980 -2.768 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.403 -3.971 -4.083 1.00 0.69 H new ATOM 0 HB3 GLN A 125 3.135 -4.117 -3.853 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.290 -3.860 -6.140 1.00 1.56 H new ATOM 0 HG3 GLN A 125 2.780 -5.534 -6.235 1.00 1.56 H new ATOM 0 HE21 GLN A 125 2.153 -3.614 -8.302 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.402 -3.382 -8.307 1.00 2.82 H new ATOM 1139 N ASN A 126 0.123 -7.425 -3.796 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.059 -8.116 -4.390 1.00 0.72 C ATOM 1141 C ASN A 126 -2.243 -8.005 -3.426 1.00 0.69 C ATOM 1142 O ASN A 126 -2.088 -7.624 -2.282 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.707 -9.591 -4.620 1.00 0.84 C ATOM 1144 CG ASN A 126 0.707 -9.698 -5.197 1.00 0.89 C ATOM 1145 OD1 ASN A 126 1.471 -10.557 -4.804 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.090 -8.858 -6.119 1.00 0.88 N ATOM 0 H ASN A 126 0.265 -7.598 -2.801 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.328 -7.655 -5.340 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.770 -10.141 -3.681 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.425 -10.044 -5.304 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.030 -8.923 -6.509 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.449 -8.137 -6.450 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.421 -8.335 -3.877 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.620 -8.241 -2.994 1.00 0.61 C ATOM 1155 C TYR A 127 -5.741 -9.089 -3.595 1.00 0.63 C ATOM 1156 O TYR A 127 -5.784 -9.316 -4.788 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.105 -6.788 -2.911 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.037 -5.899 -2.320 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.094 -5.284 -3.155 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.997 -5.679 -0.938 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.111 -4.452 -2.606 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.012 -4.848 -0.390 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.070 -4.234 -1.224 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.103 -3.413 -0.683 1.00 1.48 O ATOM 0 H TYR A 127 -3.607 -8.667 -4.823 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.357 -8.594 -1.997 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.372 -6.432 -3.906 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.007 -6.735 -2.301 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.126 -5.452 -4.221 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.726 -6.150 -0.295 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.384 -3.978 -3.249 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.979 -4.681 0.676 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.351 -3.176 0.235 1.00 1.48 H new ATOM 1174 N THR A 128 -6.644 -9.565 -2.783 1.00 0.62 N ATOM 1175 CA THR A 128 -7.751 -10.404 -3.320 1.00 0.68 C ATOM 1176 C THR A 128 -8.645 -9.554 -4.239 1.00 0.75 C ATOM 1177 O THR A 128 -8.824 -8.375 -4.007 1.00 0.97 O ATOM 1178 CB THR A 128 -8.586 -10.944 -2.158 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.196 -9.859 -1.472 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.684 -11.717 -1.197 1.00 0.90 C ATOM 0 H THR A 128 -6.663 -9.410 -1.775 1.00 0.62 H new ATOM 0 HA THR A 128 -7.333 -11.234 -3.889 1.00 0.68 H new ATOM 0 HB THR A 128 -9.358 -11.611 -2.542 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.733 -10.203 -0.728 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.279 -12.102 -0.369 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.217 -12.548 -1.725 1.00 0.90 H new ATOM 0 HG23 THR A 128 -6.911 -11.053 -0.810 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.885 -5.036 1.187 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.985 -5.867 0.339 1.00 0.49 C ATOM 1251 C ARG A 134 -7.786 -6.315 1.186 1.00 0.40 C ATOM 1252 O ARG A 134 -6.982 -5.511 1.618 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.521 -5.028 -0.880 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.734 -5.811 -2.186 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.059 -5.079 -3.349 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.819 -3.837 -3.666 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.276 -2.912 -4.410 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.065 -3.073 -4.868 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -8.943 -1.827 -4.693 1.00 3.36 N ATOM 0 HA ARG A 134 -9.507 -6.751 -0.028 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.076 -4.091 -0.916 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.468 -4.770 -0.772 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.322 -6.816 -2.089 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.800 -5.921 -2.384 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -7.030 -4.831 -3.088 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.019 -5.726 -4.225 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.763 -3.710 -3.302 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -6.544 -3.921 -4.645 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -6.639 -2.351 -5.449 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -9.889 -1.701 -4.333 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -8.518 -1.104 -5.274 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.664 -7.594 1.433 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.525 -8.093 2.259 1.00 0.39 C ATOM 1275 C TYR A 135 -5.300 -8.316 1.362 1.00 0.36 C ATOM 1276 O TYR A 135 -5.440 -8.667 0.207 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.913 -9.427 2.904 1.00 0.46 C ATOM 1278 CG TYR A 135 -7.880 -9.185 4.038 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.232 -8.951 3.766 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.425 -9.197 5.363 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.130 -8.730 4.816 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.323 -8.974 6.414 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.677 -8.741 6.140 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.564 -8.522 7.175 1.00 1.17 O ATOM 0 H TYR A 135 -8.304 -8.314 1.098 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.290 -7.359 3.030 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.367 -10.082 2.161 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.023 -9.934 3.275 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.583 -8.941 2.745 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.381 -9.378 5.574 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.174 -8.551 4.604 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -7.972 -8.982 7.435 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.086 -8.564 8.030 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.107 -8.144 1.883 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.862 -8.369 1.098 1.00 0.38 C ATOM 1296 C PRO A 136 -2.551 -9.863 0.993 1.00 0.37 C ATOM 1297 O PRO A 136 -2.484 -10.556 1.988 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.792 -7.651 1.925 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.267 -7.786 3.334 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.799 -7.720 3.267 1.00 0.44 C ATOM 0 HA PRO A 136 -2.930 -8.003 0.073 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.811 -8.107 1.790 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.700 -6.605 1.634 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.935 -8.728 3.770 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.868 -6.987 3.959 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.261 -8.381 4.001 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.166 -6.714 3.469 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.364 -10.374 -0.190 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.064 -11.826 -0.307 1.00 0.43 C ATOM 1310 C LEU A 137 -0.797 -12.135 0.492 1.00 0.41 C ATOM 1311 O LEU A 137 -0.700 -13.150 1.150 1.00 0.38 O ATOM 1312 CB LEU A 137 -1.867 -12.202 -1.771 1.00 0.51 C ATOM 1313 CG LEU A 137 -2.951 -11.541 -2.629 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -2.879 -12.088 -4.058 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.335 -11.840 -2.038 1.00 0.92 C ATOM 0 H LEU A 137 -2.405 -9.858 -1.069 1.00 0.40 H new ATOM 0 HA LEU A 137 -2.897 -12.407 0.089 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -0.880 -11.884 -2.108 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.910 -13.285 -1.886 1.00 0.51 H new ATOM 0 HG LEU A 137 -2.789 -10.463 -2.642 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -3.651 -11.617 -4.667 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -1.899 -11.870 -4.482 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.036 -13.166 -4.043 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.102 -11.368 -2.652 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.498 -12.918 -2.019 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.390 -11.447 -1.023 1.00 0.92 H new ATOM 1327 N THR A 138 0.171 -11.259 0.454 1.00 0.50 N ATOM 1328 CA THR A 138 1.419 -11.500 1.232 1.00 0.55 C ATOM 1329 C THR A 138 1.105 -11.393 2.726 1.00 0.47 C ATOM 1330 O THR A 138 0.078 -10.876 3.121 1.00 0.50 O ATOM 1331 CB THR A 138 2.481 -10.459 0.849 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.857 -9.201 0.642 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.187 -10.897 -0.434 1.00 1.04 C ATOM 0 H THR A 138 0.151 -10.390 -0.080 1.00 0.50 H new ATOM 0 HA THR A 138 1.803 -12.495 1.008 1.00 0.55 H new ATOM 0 HB THR A 138 3.212 -10.374 1.653 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.534 -8.536 0.399 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.941 -10.158 -0.705 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.667 -11.862 -0.274 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.458 -10.984 -1.239 1.00 1.04 H new ATOM 1341 N PHE A 139 1.983 -11.883 3.559 1.00 0.51 N ATOM 1342 CA PHE A 139 1.754 -11.823 5.035 1.00 0.49 C ATOM 1343 C PHE A 139 2.553 -10.670 5.634 1.00 0.65 C ATOM 1344 O PHE A 139 2.013 -9.721 6.164 1.00 1.43 O ATOM 1345 CB PHE A 139 2.202 -13.148 5.664 1.00 0.52 C ATOM 1346 CG PHE A 139 2.166 -13.045 7.174 1.00 0.50 C ATOM 1347 CD1 PHE A 139 0.954 -12.798 7.829 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.345 -13.194 7.919 1.00 0.59 C ATOM 1349 CE1 PHE A 139 0.918 -12.700 9.226 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.309 -13.097 9.314 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.097 -12.850 9.968 1.00 0.66 C ATOM 0 H PHE A 139 2.858 -12.327 3.279 1.00 0.51 H new ATOM 0 HA PHE A 139 0.695 -11.661 5.237 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.551 -13.956 5.331 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.211 -13.394 5.332 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.045 -12.683 7.257 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.281 -13.384 7.415 1.00 0.59 H new ATOM 0 HE1 PHE A 139 -0.018 -12.509 9.731 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.217 -13.213 9.887 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.070 -12.775 11.045 1.00 0.66 H new ATOM 1361 N GLY A 140 3.835 -10.770 5.554 1.00 0.46 N ATOM 1362 CA GLY A 140 4.732 -9.713 6.115 1.00 0.43 C ATOM 1363 C GLY A 140 4.178 -8.318 5.814 1.00 0.35 C ATOM 1364 O GLY A 140 4.367 -7.391 6.577 1.00 0.32 O ATOM 0 H GLY A 140 4.322 -11.552 5.116 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.830 -9.846 7.192 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.731 -9.813 5.689 1.00 0.43 H new ATOM 1368 N TRP A 141 3.494 -8.156 4.715 1.00 0.34 N ATOM 1369 CA TRP A 141 2.931 -6.811 4.383 1.00 0.29 C ATOM 1370 C TRP A 141 1.689 -6.572 5.237 1.00 0.32 C ATOM 1371 O TRP A 141 0.608 -7.043 4.943 1.00 0.40 O ATOM 1372 CB TRP A 141 2.600 -6.757 2.888 1.00 0.33 C ATOM 1373 CG TRP A 141 2.323 -5.349 2.437 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.221 -4.983 1.740 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.123 -4.126 2.603 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.286 -3.631 1.468 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.431 -3.056 1.979 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.360 -3.831 3.223 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.939 -1.757 1.968 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.870 -2.521 3.209 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.161 -1.488 2.585 1.00 0.33 C ATOM 0 H TRP A 141 3.300 -8.890 4.034 1.00 0.34 H new ATOM 0 HA TRP A 141 3.656 -6.026 4.598 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.431 -7.167 2.315 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.732 -7.384 2.683 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.419 -5.643 1.444 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.572 -3.118 0.951 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.916 -4.618 3.711 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.389 -0.963 1.484 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.817 -2.310 3.684 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.559 -0.484 2.581 1.00 0.33 H new ATOM 1392 N CYS A 142 1.860 -5.863 6.319 1.00 0.31 N ATOM 1393 CA CYS A 142 0.724 -5.599 7.246 1.00 0.40 C ATOM 1394 C CYS A 142 -0.098 -4.394 6.791 1.00 0.39 C ATOM 1395 O CYS A 142 -0.415 -3.528 7.584 1.00 0.48 O ATOM 1396 CB CYS A 142 1.282 -5.316 8.628 1.00 0.47 C ATOM 1397 SG CYS A 142 2.393 -6.660 9.118 1.00 1.45 S ATOM 0 H CYS A 142 2.749 -5.451 6.603 1.00 0.31 H new ATOM 0 HA CYS A 142 0.074 -6.474 7.256 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.819 -4.368 8.628 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.469 -5.221 9.348 1.00 0.47 H new ATOM 0 HG CYS A 142 3.190 -6.946 8.131 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.449 -4.326 5.537 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.264 -3.167 5.035 1.00 0.40 C ATOM 1405 C TYR A 143 -2.576 -3.695 4.439 1.00 0.43 C ATOM 1406 O TYR A 143 -2.580 -4.543 3.570 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.448 -2.411 3.965 1.00 0.55 C ATOM 1408 CG TYR A 143 0.238 -1.210 4.588 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.524 -0.102 4.970 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.625 -1.208 4.787 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.097 1.010 5.548 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.246 -0.096 5.368 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.482 1.014 5.749 1.00 3.52 C ATOM 1414 OH TYR A 143 2.094 2.111 6.322 1.00 4.57 O ATOM 0 H TYR A 143 -0.209 -5.022 4.831 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.500 -2.484 5.851 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.295 -3.076 3.525 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.104 -2.087 3.157 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.593 -0.105 4.819 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.214 -2.064 4.492 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.493 1.866 5.839 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.315 -0.094 5.522 1.00 3.14 H new ATOM 0 HH TYR A 143 3.058 1.949 6.390 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.693 -3.192 4.915 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.025 -3.648 4.396 1.00 0.51 C ATOM 1426 C LYS A 144 -5.873 -2.432 4.021 1.00 0.43 C ATOM 1427 O LYS A 144 -6.061 -1.528 4.811 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.752 -4.440 5.487 1.00 0.70 C ATOM 1429 CG LYS A 144 -7.123 -4.891 4.967 1.00 1.21 C ATOM 1430 CD LYS A 144 -7.777 -5.875 5.959 1.00 1.24 C ATOM 1431 CE LYS A 144 -8.526 -5.105 7.053 1.00 1.57 C ATOM 1432 NZ LYS A 144 -8.750 -5.998 8.225 1.00 2.32 N ATOM 0 H LYS A 144 -3.739 -2.481 5.645 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.872 -4.276 3.518 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.159 -5.307 5.778 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -5.874 -3.824 6.378 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -7.769 -4.024 4.826 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -7.011 -5.367 3.993 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -8.467 -6.532 5.429 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -7.014 -6.510 6.409 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.951 -4.229 7.354 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -9.480 -4.744 6.670 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -9.674 -5.785 8.652 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.733 -6.990 7.914 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -7.999 -5.843 8.928 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.393 -2.406 2.825 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.237 -1.253 2.407 1.00 0.37 C ATOM 1448 C LEU A 145 -8.626 -1.392 3.044 1.00 0.38 C ATOM 1449 O LEU A 145 -9.103 -2.487 3.273 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.354 -1.238 0.878 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.988 -0.878 0.245 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.890 -1.481 -1.163 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.828 0.653 0.153 1.00 0.52 C ATOM 0 H LEU A 145 -6.270 -3.133 2.120 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.784 -0.318 2.736 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.684 -2.214 0.521 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.109 -0.514 0.570 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.196 -1.285 0.874 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.926 -1.224 -1.603 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.983 -2.565 -1.102 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.691 -1.083 -1.786 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.863 0.892 -0.294 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.626 1.066 -0.464 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.882 1.085 1.152 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.271 -0.290 3.337 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.624 -0.342 3.975 1.00 0.50 C ATOM 1467 C VAL A 146 -11.325 1.011 3.733 1.00 0.59 C ATOM 1468 O VAL A 146 -10.755 2.045 4.005 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.454 -0.541 5.498 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.807 -0.404 6.207 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.883 -1.933 5.792 1.00 0.56 C ATOM 0 H VAL A 146 -8.916 0.650 3.161 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.209 -1.160 3.554 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.768 0.223 5.865 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.672 -0.547 7.279 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.216 0.589 6.022 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.496 -1.157 5.825 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.768 -2.059 6.869 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.563 -2.694 5.408 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.911 -2.037 5.309 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.546 1.030 3.234 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.272 2.313 2.981 1.00 0.81 C ATOM 1483 C PRO A 147 -13.821 2.942 4.270 1.00 0.91 C ATOM 1484 O PRO A 147 -14.945 2.697 4.663 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.416 1.897 2.052 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.708 0.478 2.423 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.368 -0.137 2.848 1.00 0.75 C ATOM 0 HA PRO A 147 -12.617 3.074 2.556 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.291 2.531 2.193 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.126 1.981 1.005 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.434 0.429 3.235 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.136 -0.065 1.580 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.493 -0.830 3.680 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.909 -0.697 2.033 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.391 4.333 -0.971 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.893 3.441 0.137 1.00 0.52 C ATOM 1782 C LEU A 181 -8.635 4.017 0.791 1.00 0.47 C ATOM 1783 O LEU A 181 -7.834 4.648 0.146 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.547 2.064 -0.446 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.654 1.597 -1.397 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.278 0.233 -1.983 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.972 1.475 -0.630 1.00 0.87 C ATOM 0 HA LEU A 181 -10.678 3.363 0.890 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.598 2.115 -0.979 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.421 1.341 0.360 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.770 2.322 -2.202 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.064 -0.101 -2.660 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.340 0.319 -2.531 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.162 -0.490 -1.176 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.758 1.143 -1.308 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.858 0.750 0.176 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.240 2.445 -0.211 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.447 3.772 2.069 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.219 4.262 2.782 1.00 0.45 C ATOM 1801 C GLU A 182 -6.377 3.070 3.234 1.00 0.42 C ATOM 1802 O GLU A 182 -6.888 2.018 3.567 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.611 5.103 4.006 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.557 4.310 4.914 1.00 0.56 C ATOM 1805 CD GLU A 182 -7.774 3.263 5.713 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -6.571 3.424 5.848 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -8.390 2.319 6.176 1.00 1.62 O ATOM 0 H GLU A 182 -9.098 3.248 2.654 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.641 4.882 2.097 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.717 5.389 4.561 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.094 6.025 3.683 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.071 4.988 5.596 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -9.323 3.820 4.313 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.083 3.238 3.249 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.180 2.134 3.680 1.00 0.38 C ATOM 1816 C TRP A 183 -4.283 1.978 5.199 1.00 0.37 C ATOM 1817 O TRP A 183 -3.977 2.887 5.946 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.731 2.490 3.293 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.429 2.038 1.896 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.213 0.755 1.520 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.294 2.843 0.690 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.949 0.724 0.162 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.990 1.989 -0.395 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.405 4.220 0.437 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.799 2.485 -1.686 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.214 4.726 -0.861 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.911 3.859 -1.919 1.00 0.41 C ATOM 0 H TRP A 183 -4.609 4.100 2.979 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.466 1.201 3.195 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.582 3.567 3.372 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.037 2.020 3.990 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.242 -0.104 2.174 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.749 -0.127 -0.363 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.639 4.896 1.246 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.567 1.812 -2.498 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.301 5.787 -1.043 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.764 4.252 -2.914 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.710 0.834 5.666 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.831 0.621 7.140 1.00 0.35 C ATOM 1840 C ARG A 184 -3.576 -0.089 7.653 1.00 0.31 C ATOM 1841 O ARG A 184 -3.460 -1.297 7.589 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.066 -0.245 7.424 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.487 -0.108 8.899 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.368 1.134 9.097 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.991 1.086 10.449 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.532 2.160 10.956 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -8.526 3.275 10.278 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -9.079 2.118 12.141 1.00 2.61 N ATOM 0 H ARG A 184 -4.981 0.037 5.090 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.935 1.581 7.645 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.888 0.057 6.775 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.847 -1.288 7.197 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.030 -1.000 9.212 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -5.601 -0.037 9.530 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.769 2.039 8.992 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.141 1.172 8.329 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.995 0.214 10.978 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -8.099 3.307 9.352 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -8.949 4.115 10.674 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -9.083 1.246 12.670 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -9.502 2.957 12.538 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.634 0.657 8.160 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.380 0.034 8.680 1.00 0.31 C ATOM 1864 C PHE A 185 -1.698 -0.786 9.939 1.00 0.31 C ATOM 1865 O PHE A 185 -2.435 -0.355 10.803 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.381 1.156 9.006 1.00 0.40 C ATOM 1867 CG PHE A 185 0.716 0.672 9.932 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.502 0.659 11.316 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.948 0.258 9.410 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.518 0.231 12.178 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.966 -0.165 10.273 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.750 -0.181 11.657 1.00 0.71 C ATOM 0 H PHE A 185 -2.677 1.673 8.238 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.948 -0.634 7.935 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.060 1.531 8.083 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.908 1.990 9.469 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.448 0.979 11.718 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.113 0.265 8.343 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.351 0.219 13.245 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.918 -0.479 9.872 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.534 -0.511 12.322 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.151 -1.970 10.041 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.420 -2.827 11.227 1.00 0.32 C ATOM 1884 C ASP A 186 -0.245 -3.794 11.429 1.00 0.30 C ATOM 1885 O ASP A 186 -0.417 -4.996 11.438 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.697 -3.620 10.958 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.291 -4.133 12.274 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.135 -3.458 13.279 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -3.894 -5.193 12.254 1.00 1.23 O ATOM 0 H ASP A 186 -0.526 -2.380 9.347 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.537 -2.217 12.123 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.423 -2.990 10.444 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.480 -4.459 10.297 1.00 0.37 H new ATOM 1894 N SER A 187 0.946 -3.270 11.583 1.00 0.33 N ATOM 1895 CA SER A 187 2.145 -4.143 11.775 1.00 0.34 C ATOM 1896 C SER A 187 1.834 -5.272 12.766 1.00 0.35 C ATOM 1897 O SER A 187 2.570 -6.234 12.865 1.00 0.37 O ATOM 1898 CB SER A 187 3.304 -3.300 12.307 1.00 0.40 C ATOM 1899 OG SER A 187 3.858 -2.546 11.237 1.00 1.32 O ATOM 0 H SER A 187 1.140 -2.269 11.584 1.00 0.33 H new ATOM 0 HA SER A 187 2.418 -4.585 10.817 1.00 0.34 H new ATOM 0 HB2 SER A 187 2.954 -2.634 13.095 1.00 0.40 H new ATOM 0 HB3 SER A 187 4.066 -3.943 12.748 1.00 0.40 H new ATOM 0 HG SER A 187 3.196 -1.899 10.916 1.00 1.32 H new ATOM 1905 N ARG A 188 0.754 -5.178 13.492 1.00 0.40 N ATOM 1906 CA ARG A 188 0.423 -6.267 14.454 1.00 0.46 C ATOM 1907 C ARG A 188 0.226 -7.560 13.663 1.00 0.42 C ATOM 1908 O ARG A 188 0.487 -8.645 14.143 1.00 0.43 O ATOM 1909 CB ARG A 188 -0.870 -5.922 15.199 1.00 0.58 C ATOM 1910 CG ARG A 188 -0.637 -4.721 16.127 1.00 1.40 C ATOM 1911 CD ARG A 188 0.284 -5.105 17.302 1.00 1.75 C ATOM 1912 NE ARG A 188 1.701 -4.827 16.932 1.00 2.37 N ATOM 1913 CZ ARG A 188 2.622 -4.802 17.858 1.00 2.99 C ATOM 1914 NH1 ARG A 188 2.301 -5.024 19.104 1.00 3.19 N ATOM 1915 NH2 ARG A 188 3.863 -4.555 17.539 1.00 3.87 N ATOM 0 H ARG A 188 0.092 -4.402 13.462 1.00 0.40 H new ATOM 0 HA ARG A 188 1.228 -6.385 15.179 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.661 -5.692 14.485 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.205 -6.781 15.780 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.191 -3.902 15.563 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.592 -4.362 16.510 1.00 1.40 H new ATOM 0 HD2 ARG A 188 0.011 -4.538 18.192 1.00 1.75 H new ATOM 0 HD3 ARG A 188 0.160 -6.160 17.545 1.00 1.75 H new ATOM 0 HE ARG A 188 1.951 -4.657 15.958 1.00 2.37 H new ATOM 0 HH11 ARG A 188 1.331 -5.217 19.354 1.00 3.19 H new ATOM 0 HH12 ARG A 188 3.020 -5.005 19.827 1.00 3.19 H new ATOM 0 HH21 ARG A 188 4.115 -4.381 16.566 1.00 3.87 H new ATOM 0 HH22 ARG A 188 4.581 -4.536 18.263 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.216 -7.443 12.440 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.416 -8.651 11.593 1.00 0.46 C ATOM 1931 C LEU A 189 0.945 -9.301 11.339 1.00 0.41 C ATOM 1932 O LEU A 189 1.050 -10.313 10.677 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.044 -8.249 10.253 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.428 -7.618 10.480 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.935 -7.016 9.162 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.427 -8.684 10.971 1.00 1.78 C ATOM 0 H LEU A 189 -0.448 -6.557 11.990 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.079 -9.351 12.101 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.395 -7.542 9.737 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -1.137 -9.124 9.610 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.342 -6.838 11.236 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.916 -6.568 9.320 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.238 -6.251 8.819 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.012 -7.801 8.409 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.403 -8.224 11.128 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.514 -9.473 10.224 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.072 -9.110 11.909 1.00 1.78 H new ATOM 1948 N ALA A 190 1.989 -8.718 11.863 1.00 0.37 N ATOM 1949 CA ALA A 190 3.348 -9.291 11.658 1.00 0.42 C ATOM 1950 C ALA A 190 3.476 -10.565 12.490 1.00 0.44 C ATOM 1951 O ALA A 190 4.506 -11.210 12.502 1.00 0.53 O ATOM 1952 CB ALA A 190 4.399 -8.278 12.116 1.00 0.47 C ATOM 0 H ALA A 190 1.958 -7.868 12.425 1.00 0.37 H new ATOM 0 HA ALA A 190 3.500 -9.519 10.603 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.395 -8.695 11.967 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.299 -7.361 11.535 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.253 -8.055 13.173 1.00 0.47 H new ATOM 1958 N PHE A 191 2.427 -10.928 13.190 1.00 0.42 N ATOM 1959 CA PHE A 191 2.461 -12.166 14.038 1.00 0.51 C ATOM 1960 C PHE A 191 1.206 -13.004 13.778 1.00 0.56 C ATOM 1961 O PHE A 191 1.188 -14.197 14.007 1.00 0.96 O ATOM 1962 CB PHE A 191 2.503 -11.772 15.517 1.00 0.58 C ATOM 1963 CG PHE A 191 3.630 -10.795 15.758 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.923 -11.264 16.023 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.379 -9.419 15.724 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.963 -10.356 16.253 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.420 -8.510 15.955 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.712 -8.980 16.219 1.00 3.15 C ATOM 0 H PHE A 191 1.544 -10.418 13.211 1.00 0.42 H new ATOM 0 HA PHE A 191 3.348 -12.748 13.786 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.553 -11.324 15.810 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.641 -12.659 16.135 1.00 0.58 H new ATOM 0 HD1 PHE A 191 5.117 -12.326 16.050 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.382 -9.057 15.520 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.960 -10.718 16.457 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.226 -7.448 15.929 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.515 -8.280 16.396 1.00 3.15 H new ATOM 1978 N HIS A 192 0.153 -12.392 13.307 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.097 -13.159 13.041 1.00 0.72 C ATOM 1980 C HIS A 192 -0.919 -14.016 11.783 1.00 0.67 C ATOM 1981 O HIS A 192 0.176 -14.416 11.443 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.260 -12.184 12.837 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.433 -11.343 14.073 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -1.542 -11.394 15.133 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -3.388 -10.423 14.432 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -1.975 -10.529 16.070 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -3.096 -9.910 15.692 1.00 3.35 N ATOM 0 H HIS A 192 0.105 -11.395 13.095 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.311 -13.808 13.891 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.067 -11.546 11.974 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.177 -12.734 12.627 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -4.237 -10.141 13.827 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -1.476 -10.357 17.012 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -3.625 -9.211 16.214 1.00 3.35 H new ATOM 1995 N HIS A 193 -1.989 -14.302 11.091 1.00 0.77 N ATOM 1996 CA HIS A 193 -1.887 -15.132 9.855 1.00 0.85 C ATOM 1997 C HIS A 193 -3.243 -15.145 9.142 1.00 0.74 C ATOM 1998 O HIS A 193 -3.782 -16.188 8.833 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.496 -16.566 10.231 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.296 -17.019 11.424 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -1.797 -17.929 12.343 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -3.561 -16.704 11.861 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.745 -18.128 13.275 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -3.841 -17.405 13.029 1.00 3.87 N ATOM 0 H HIS A 193 -2.932 -13.996 11.329 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.129 -14.711 9.195 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.674 -17.234 9.388 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.431 -16.615 10.457 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -4.235 -16.017 11.372 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -2.634 -18.792 14.120 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -4.699 -17.374 13.580 1.00 3.87 H new ATOM 2012 N MET A 194 -3.802 -13.993 8.892 1.00 0.73 N ATOM 2013 CA MET A 194 -5.130 -13.937 8.213 1.00 0.79 C ATOM 2014 C MET A 194 -4.949 -14.146 6.700 1.00 0.75 C ATOM 2015 O MET A 194 -5.459 -15.088 6.124 1.00 0.90 O ATOM 2016 CB MET A 194 -5.772 -12.558 8.489 1.00 0.91 C ATOM 2017 CG MET A 194 -7.289 -12.693 8.673 1.00 1.47 C ATOM 2018 SD MET A 194 -7.969 -13.784 7.399 1.00 2.35 S ATOM 2019 CE MET A 194 -9.551 -14.115 8.216 1.00 2.94 C ATOM 0 H MET A 194 -3.397 -13.087 9.128 1.00 0.73 H new ATOM 0 HA MET A 194 -5.779 -14.724 8.597 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.330 -12.118 9.383 1.00 0.91 H new ATOM 0 HB3 MET A 194 -5.560 -11.880 7.662 1.00 0.91 H new ATOM 0 HG2 MET A 194 -7.510 -13.093 9.663 1.00 1.47 H new ATOM 0 HG3 MET A 194 -7.760 -11.712 8.613 1.00 1.47 H new ATOM 0 HE1 MET A 194 -10.148 -14.783 7.595 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.370 -14.584 9.183 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.088 -13.178 8.362 1.00 2.94 H new ATOM 2029 N ALA A 195 -4.230 -13.267 6.057 1.00 0.66 N ATOM 2030 CA ALA A 195 -4.020 -13.401 4.587 1.00 0.76 C ATOM 2031 C ALA A 195 -3.506 -14.805 4.259 1.00 0.90 C ATOM 2032 O ALA A 195 -3.664 -15.289 3.154 1.00 1.11 O ATOM 2033 CB ALA A 195 -2.994 -12.367 4.125 1.00 0.82 C ATOM 0 H ALA A 195 -3.778 -12.460 6.487 1.00 0.66 H new ATOM 0 HA ALA A 195 -4.967 -13.236 4.074 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -2.839 -12.463 3.050 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -3.360 -11.365 4.351 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -2.050 -12.534 4.644 1.00 0.82 H new