USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 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 88 SER OG : rot -52:sc= 0.963 USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.607! C(o=1.5!,f=-11!) USER MOD Set 1.3: A 142 CYS SG : rot 126:sc= 0.192 USER MOD Set 1.4: A 187 SER OG : rot 57:sc= 0.941! USER MOD Set 2.1: A 144 LYS NZ :NH3+ -107:sc= 0.0976 (180deg=0) USER MOD Set 2.2: A 193 HIS : no HE2:sc= -1.62 K(o=-1.5,f=-2.1) USER MOD Set 3.1: A 107 GLN : amide:sc= -1.14 K(o=-5.1,f=-4.5) USER MOD Set 3.2: A 125 GLN : amide:sc= -3.97! C(o=-5.1!,f=-4.6!) USER MOD Single : A 79 MET CE :methyl -152:sc= 0 (180deg=-0.983) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.55! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -121:sc= 1.18 (180deg=-0.225) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 148:sc= 0.469 (180deg=-0.0864) USER MOD Single : A 102 HIS : no HE2:sc= -2.93! C(o=-2.9!,f=-9.2!) USER MOD Single : A 103 SER OG : rot 131:sc= 0.294! USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.15 K(o=-1.2,f=0.036) USER MOD Single : A 117 THR OG1 : rot 2:sc= -1.14 USER MOD Single : A 118 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.11) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -6.1! K(o=-6.1!,f=-3.2) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -129:sc= 0.35 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.46) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.327 -0.277 -10.136 1.00 1.04 N ATOM 275 CA VAL A 74 19.722 -0.793 -8.788 1.00 0.93 C ATOM 276 C VAL A 74 19.816 -2.326 -8.820 1.00 0.86 C ATOM 277 O VAL A 74 19.165 -2.966 -9.622 1.00 0.89 O ATOM 278 CB VAL A 74 18.640 -0.361 -7.790 1.00 1.09 C ATOM 279 CG1 VAL A 74 18.865 1.101 -7.391 1.00 1.17 C ATOM 280 CG2 VAL A 74 17.266 -0.499 -8.459 1.00 1.38 C ATOM 0 HA VAL A 74 20.694 -0.395 -8.498 1.00 0.93 H new ATOM 0 HB VAL A 74 18.687 -0.989 -6.900 1.00 1.09 H new ATOM 0 HG11 VAL A 74 18.096 1.407 -6.682 1.00 1.17 H new ATOM 0 HG12 VAL A 74 19.847 1.205 -6.929 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.813 1.732 -8.278 1.00 1.17 H new ATOM 0 HG21 VAL A 74 16.488 -0.195 -7.759 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.227 0.136 -9.344 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.106 -1.537 -8.750 1.00 1.38 H new ATOM 290 N PRO A 75 20.581 -2.919 -7.933 1.00 0.93 N ATOM 291 CA PRO A 75 20.697 -4.405 -7.856 1.00 1.00 C ATOM 292 C PRO A 75 19.406 -5.010 -7.289 1.00 0.88 C ATOM 293 O PRO A 75 18.943 -4.624 -6.235 1.00 0.84 O ATOM 294 CB PRO A 75 21.884 -4.634 -6.908 1.00 1.18 C ATOM 295 CG PRO A 75 21.935 -3.409 -6.049 1.00 1.37 C ATOM 296 CD PRO A 75 21.420 -2.254 -6.916 1.00 1.13 C ATOM 0 HA PRO A 75 20.849 -4.875 -8.828 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.742 -5.532 -6.307 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.813 -4.766 -7.463 1.00 1.18 H new ATOM 0 HG2 PRO A 75 21.318 -3.532 -5.159 1.00 1.37 H new ATOM 0 HG3 PRO A 75 22.952 -3.216 -5.708 1.00 1.37 H new ATOM 0 HD2 PRO A 75 20.844 -1.539 -6.328 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.241 -1.702 -7.374 1.00 1.13 H new ATOM 304 N LEU A 76 18.804 -5.932 -7.988 1.00 0.86 N ATOM 305 CA LEU A 76 17.528 -6.523 -7.488 1.00 0.77 C ATOM 306 C LEU A 76 17.746 -7.247 -6.159 1.00 0.77 C ATOM 307 O LEU A 76 18.296 -8.329 -6.108 1.00 0.85 O ATOM 308 CB LEU A 76 16.972 -7.518 -8.514 1.00 0.84 C ATOM 309 CG LEU A 76 16.485 -6.784 -9.773 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.009 -7.824 -10.791 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.318 -5.830 -9.430 1.00 0.76 C ATOM 0 H LEU A 76 19.137 -6.301 -8.879 1.00 0.86 H new ATOM 0 HA LEU A 76 16.817 -5.710 -7.337 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.743 -8.240 -8.783 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.149 -8.081 -8.074 1.00 0.84 H new ATOM 0 HG LEU A 76 17.304 -6.194 -10.185 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.660 -7.319 -11.691 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.835 -8.489 -11.045 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.193 -8.406 -10.362 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.987 -5.320 -10.335 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.490 -6.403 -9.013 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.653 -5.093 -8.700 1.00 0.76 H new ATOM 323 N ARG A 77 17.289 -6.663 -5.081 1.00 0.74 N ATOM 324 CA ARG A 77 17.436 -7.319 -3.750 1.00 0.79 C ATOM 325 C ARG A 77 16.310 -8.357 -3.598 1.00 0.71 C ATOM 326 O ARG A 77 15.261 -8.219 -4.195 1.00 0.73 O ATOM 327 CB ARG A 77 17.315 -6.257 -2.642 1.00 0.85 C ATOM 328 CG ARG A 77 18.660 -5.531 -2.448 1.00 1.19 C ATOM 329 CD ARG A 77 19.549 -6.317 -1.477 1.00 1.52 C ATOM 330 NE ARG A 77 20.817 -5.569 -1.248 1.00 2.13 N ATOM 331 CZ ARG A 77 21.581 -5.877 -0.236 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.229 -6.831 0.582 1.00 2.73 N ATOM 333 NH2 ARG A 77 22.696 -5.228 -0.039 1.00 3.61 N ATOM 0 H ARG A 77 16.819 -5.758 -5.067 1.00 0.74 H new ATOM 0 HA ARG A 77 18.408 -7.806 -3.671 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.539 -5.537 -2.902 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.011 -6.729 -1.708 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.165 -5.422 -3.408 1.00 1.19 H new ATOM 0 HG3 ARG A 77 18.487 -4.526 -2.063 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.028 -6.469 -0.532 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.765 -7.305 -1.884 1.00 1.52 H new ATOM 0 HE ARG A 77 21.088 -4.817 -1.882 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.356 -7.336 0.430 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.827 -7.071 1.373 1.00 2.73 H new ATOM 0 HH21 ARG A 77 22.970 -4.480 -0.676 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.293 -5.469 0.752 1.00 3.61 H new ATOM 347 N PRO A 78 16.513 -9.385 -2.809 1.00 0.79 N ATOM 348 CA PRO A 78 15.477 -10.442 -2.594 1.00 0.76 C ATOM 349 C PRO A 78 14.344 -9.968 -1.671 1.00 0.67 C ATOM 350 O PRO A 78 14.539 -9.771 -0.488 1.00 0.69 O ATOM 351 CB PRO A 78 16.270 -11.582 -1.944 1.00 0.86 C ATOM 352 CG PRO A 78 17.373 -10.898 -1.202 1.00 1.18 C ATOM 353 CD PRO A 78 17.740 -9.664 -2.035 1.00 1.06 C ATOM 0 HA PRO A 78 14.980 -10.728 -3.521 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.643 -12.168 -1.271 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.663 -12.269 -2.693 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.051 -10.611 -0.201 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.232 -11.559 -1.084 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.014 -8.820 -1.401 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.590 -9.861 -2.689 1.00 1.06 H new ATOM 361 N MET A 79 13.161 -9.792 -2.201 1.00 0.65 N ATOM 362 CA MET A 79 12.023 -9.336 -1.350 1.00 0.61 C ATOM 363 C MET A 79 11.733 -10.395 -0.287 1.00 0.51 C ATOM 364 O MET A 79 11.074 -11.383 -0.543 1.00 0.56 O ATOM 365 CB MET A 79 10.780 -9.130 -2.222 1.00 0.66 C ATOM 366 CG MET A 79 9.702 -8.407 -1.414 1.00 0.74 C ATOM 367 SD MET A 79 10.140 -6.658 -1.253 1.00 1.25 S ATOM 368 CE MET A 79 8.641 -6.128 -0.390 1.00 0.83 C ATOM 0 H MET A 79 12.935 -9.944 -3.184 1.00 0.65 H new ATOM 0 HA MET A 79 12.283 -8.394 -0.866 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.037 -8.548 -3.107 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.404 -10.092 -2.570 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.735 -8.507 -1.907 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.606 -8.861 -0.428 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.444 -5.079 -0.613 1.00 0.83 H new ATOM 0 HE2 MET A 79 7.797 -6.734 -0.720 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.777 -6.251 0.684 1.00 0.83 H new ATOM 378 N THR A 80 12.232 -10.201 0.907 1.00 0.56 N ATOM 379 CA THR A 80 12.000 -11.200 1.991 1.00 0.60 C ATOM 380 C THR A 80 10.711 -10.885 2.729 1.00 0.56 C ATOM 381 O THR A 80 10.346 -9.741 2.890 1.00 0.50 O ATOM 382 CB THR A 80 13.174 -11.165 2.976 1.00 0.77 C ATOM 383 OG1 THR A 80 13.008 -10.080 3.876 1.00 0.94 O ATOM 384 CG2 THR A 80 14.483 -10.991 2.204 1.00 0.73 C ATOM 0 H THR A 80 12.791 -9.392 1.178 1.00 0.56 H new ATOM 0 HA THR A 80 11.920 -12.192 1.547 1.00 0.60 H new ATOM 0 HB THR A 80 13.204 -12.099 3.537 1.00 0.77 H new ATOM 0 HG1 THR A 80 13.828 -9.961 4.400 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.318 -10.966 2.904 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.612 -11.825 1.515 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.453 -10.057 1.642 1.00 0.73 H new ATOM 392 N TYR A 81 10.026 -11.892 3.216 1.00 0.61 N ATOM 393 CA TYR A 81 8.784 -11.618 3.988 1.00 0.60 C ATOM 394 C TYR A 81 9.194 -10.609 5.060 1.00 0.51 C ATOM 395 O TYR A 81 8.531 -9.621 5.307 1.00 0.45 O ATOM 396 CB TYR A 81 8.259 -12.943 4.604 1.00 0.69 C ATOM 397 CG TYR A 81 8.009 -12.799 6.096 1.00 0.60 C ATOM 398 CD1 TYR A 81 6.956 -11.999 6.552 1.00 0.59 C ATOM 399 CD2 TYR A 81 8.840 -13.453 7.014 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.731 -11.855 7.926 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.614 -13.310 8.388 1.00 0.77 C ATOM 402 CZ TYR A 81 7.560 -12.510 8.843 1.00 0.73 C ATOM 403 OH TYR A 81 7.336 -12.368 10.197 1.00 0.90 O ATOM 0 H TYR A 81 10.272 -12.876 3.112 1.00 0.61 H new ATOM 0 HA TYR A 81 7.975 -11.219 3.376 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.335 -13.237 4.105 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.983 -13.739 4.430 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.317 -11.493 5.844 1.00 0.59 H new ATOM 0 HD2 TYR A 81 9.655 -14.068 6.662 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.917 -11.238 8.278 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.253 -13.817 9.096 1.00 0.77 H new ATOM 0 HH TYR A 81 8.000 -12.889 10.695 1.00 0.90 H new ATOM 413 N LYS A 82 10.329 -10.850 5.651 1.00 0.52 N ATOM 414 CA LYS A 82 10.856 -9.910 6.660 1.00 0.48 C ATOM 415 C LYS A 82 11.042 -8.553 5.981 1.00 0.40 C ATOM 416 O LYS A 82 10.915 -7.518 6.605 1.00 0.38 O ATOM 417 CB LYS A 82 12.202 -10.420 7.179 1.00 0.55 C ATOM 418 CG LYS A 82 12.603 -9.634 8.431 1.00 0.60 C ATOM 419 CD LYS A 82 14.047 -9.976 8.807 1.00 0.92 C ATOM 420 CE LYS A 82 14.361 -9.414 10.194 1.00 1.49 C ATOM 421 NZ LYS A 82 14.358 -7.924 10.139 1.00 2.32 N ATOM 0 H LYS A 82 10.914 -11.666 5.473 1.00 0.52 H new ATOM 0 HA LYS A 82 10.168 -9.822 7.501 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.134 -11.483 7.411 1.00 0.55 H new ATOM 0 HB3 LYS A 82 12.965 -10.310 6.409 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.507 -8.564 8.248 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.934 -9.877 9.256 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.189 -11.057 8.800 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.734 -9.559 8.070 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.622 -9.763 10.915 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.332 -9.774 10.533 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.288 -7.564 10.435 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 14.160 -7.613 9.167 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 13.625 -7.555 10.777 1.00 2.32 H new ATOM 435 N ALA A 83 11.337 -8.540 4.695 1.00 0.42 N ATOM 436 CA ALA A 83 11.516 -7.227 4.007 1.00 0.41 C ATOM 437 C ALA A 83 10.182 -6.473 4.004 1.00 0.35 C ATOM 438 O ALA A 83 10.138 -5.268 4.150 1.00 0.34 O ATOM 439 CB ALA A 83 11.979 -7.439 2.562 1.00 0.52 C ATOM 0 H ALA A 83 11.458 -9.366 4.109 1.00 0.42 H new ATOM 0 HA ALA A 83 12.272 -6.650 4.539 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.105 -6.472 2.075 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.929 -7.973 2.559 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.233 -8.023 2.023 1.00 0.52 H new ATOM 445 N ALA A 84 9.095 -7.177 3.838 1.00 0.34 N ATOM 446 CA ALA A 84 7.762 -6.507 3.824 1.00 0.31 C ATOM 447 C ALA A 84 7.517 -5.827 5.173 1.00 0.28 C ATOM 448 O ALA A 84 7.150 -4.671 5.237 1.00 0.28 O ATOM 449 CB ALA A 84 6.668 -7.550 3.571 1.00 0.34 C ATOM 0 H ALA A 84 9.072 -8.189 3.711 1.00 0.34 H new ATOM 0 HA ALA A 84 7.741 -5.759 3.032 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.694 -7.061 3.561 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.841 -8.033 2.609 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.689 -8.299 4.363 1.00 0.34 H new ATOM 455 N VAL A 85 7.709 -6.534 6.252 1.00 0.29 N ATOM 456 CA VAL A 85 7.478 -5.922 7.591 1.00 0.29 C ATOM 457 C VAL A 85 8.486 -4.798 7.827 1.00 0.29 C ATOM 458 O VAL A 85 8.129 -3.711 8.238 1.00 0.30 O ATOM 459 CB VAL A 85 7.636 -6.988 8.679 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.012 -6.489 9.983 1.00 0.37 C ATOM 461 CG2 VAL A 85 6.935 -8.275 8.238 1.00 0.38 C ATOM 0 H VAL A 85 8.015 -7.507 6.265 1.00 0.29 H new ATOM 0 HA VAL A 85 6.468 -5.514 7.628 1.00 0.29 H new ATOM 0 HB VAL A 85 8.696 -7.186 8.839 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.126 -7.250 10.755 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.512 -5.573 10.299 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.952 -6.288 9.826 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.047 -9.034 9.012 1.00 0.38 H new ATOM 0 HG22 VAL A 85 5.876 -8.075 8.076 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.382 -8.634 7.311 1.00 0.38 H new ATOM 471 N ASP A 86 9.739 -5.043 7.571 1.00 0.30 N ATOM 472 CA ASP A 86 10.750 -3.975 7.784 1.00 0.32 C ATOM 473 C ASP A 86 10.392 -2.790 6.891 1.00 0.30 C ATOM 474 O ASP A 86 10.376 -1.653 7.320 1.00 0.31 O ATOM 475 CB ASP A 86 12.139 -4.499 7.407 1.00 0.36 C ATOM 476 CG ASP A 86 12.640 -5.455 8.492 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.285 -5.254 9.642 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.371 -6.371 8.153 1.00 1.05 O ATOM 0 H ASP A 86 10.104 -5.931 7.226 1.00 0.30 H new ATOM 0 HA ASP A 86 10.759 -3.670 8.830 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.096 -5.013 6.447 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.834 -3.667 7.292 1.00 0.36 H new ATOM 483 N LEU A 87 10.097 -3.053 5.650 1.00 0.29 N ATOM 484 CA LEU A 87 9.730 -1.953 4.720 1.00 0.30 C ATOM 485 C LEU A 87 8.439 -1.281 5.194 1.00 0.29 C ATOM 486 O LEU A 87 8.301 -0.076 5.126 1.00 0.30 O ATOM 487 CB LEU A 87 9.525 -2.523 3.313 1.00 0.33 C ATOM 488 CG LEU A 87 9.448 -1.381 2.283 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.853 -0.849 1.953 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.792 -1.902 0.999 1.00 0.44 C ATOM 0 H LEU A 87 10.094 -3.986 5.239 1.00 0.29 H new ATOM 0 HA LEU A 87 10.531 -1.214 4.702 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.346 -3.195 3.062 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.609 -3.113 3.282 1.00 0.33 H new ATOM 0 HG LEU A 87 8.857 -0.569 2.706 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.775 -0.043 1.223 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.322 -0.472 2.862 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.459 -1.655 1.540 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.735 -1.097 0.267 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.386 -2.720 0.593 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.787 -2.260 1.223 1.00 0.44 H new ATOM 502 N SER A 88 7.484 -2.041 5.666 1.00 0.30 N ATOM 503 CA SER A 88 6.212 -1.418 6.126 1.00 0.34 C ATOM 504 C SER A 88 6.514 -0.349 7.176 1.00 0.33 C ATOM 505 O SER A 88 6.084 0.783 7.067 1.00 0.36 O ATOM 506 CB SER A 88 5.304 -2.487 6.729 1.00 0.40 C ATOM 507 OG SER A 88 5.899 -2.996 7.916 1.00 0.44 O ATOM 0 H SER A 88 7.531 -3.056 5.751 1.00 0.30 H new ATOM 0 HA SER A 88 5.709 -0.957 5.276 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.324 -2.064 6.952 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.147 -3.293 6.013 1.00 0.40 H new ATOM 0 HG SER A 88 6.821 -3.269 7.728 1.00 0.44 H new ATOM 513 N HIS A 89 7.247 -0.697 8.197 1.00 0.34 N ATOM 514 CA HIS A 89 7.567 0.302 9.252 1.00 0.36 C ATOM 515 C HIS A 89 8.531 1.345 8.689 1.00 0.36 C ATOM 516 O HIS A 89 8.542 2.483 9.116 1.00 0.41 O ATOM 517 CB HIS A 89 8.218 -0.401 10.445 1.00 0.41 C ATOM 518 CG HIS A 89 7.262 -1.414 11.013 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.583 -2.196 12.111 1.00 1.43 N ATOM 520 CD2 HIS A 89 5.992 -1.784 10.648 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.527 -2.990 12.365 1.00 1.27 C ATOM 522 NE2 HIS A 89 5.531 -2.780 11.503 1.00 0.82 N ATOM 0 H HIS A 89 7.637 -1.628 8.345 1.00 0.34 H new ATOM 0 HA HIS A 89 6.649 0.791 9.577 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.140 -0.891 10.133 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.487 0.329 11.208 1.00 0.41 H new ATOM 0 HD2 HIS A 89 5.435 -1.366 9.823 1.00 1.01 H new ATOM 0 HE1 HIS A 89 6.490 -3.710 13.169 1.00 1.27 H new ATOM 0 HE2 HIS A 89 4.626 -3.249 11.476 1.00 0.82 H new ATOM 530 N PHE A 90 9.331 0.979 7.726 1.00 0.34 N ATOM 531 CA PHE A 90 10.273 1.970 7.143 1.00 0.37 C ATOM 532 C PHE A 90 9.462 3.134 6.581 1.00 0.40 C ATOM 533 O PHE A 90 9.711 4.285 6.881 1.00 0.47 O ATOM 534 CB PHE A 90 11.072 1.314 6.017 1.00 0.38 C ATOM 535 CG PHE A 90 12.118 2.277 5.510 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.347 2.389 6.172 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.861 3.056 4.376 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.317 3.281 5.700 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.831 3.948 3.903 1.00 0.70 C ATOM 540 CZ PHE A 90 14.059 4.061 4.565 1.00 0.72 C ATOM 0 H PHE A 90 9.372 0.044 7.321 1.00 0.34 H new ATOM 0 HA PHE A 90 10.963 2.327 7.908 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.547 0.402 6.378 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.405 1.025 5.205 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.546 1.787 7.046 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.913 2.969 3.865 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.265 3.368 6.211 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.632 4.549 3.028 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.808 4.749 4.201 1.00 0.72 H new ATOM 550 N LEU A 91 8.486 2.837 5.768 1.00 0.37 N ATOM 551 CA LEU A 91 7.647 3.916 5.183 1.00 0.42 C ATOM 552 C LEU A 91 6.945 4.690 6.305 1.00 0.47 C ATOM 553 O LEU A 91 6.608 5.844 6.148 1.00 0.57 O ATOM 554 CB LEU A 91 6.597 3.291 4.244 1.00 0.41 C ATOM 555 CG LEU A 91 7.206 3.054 2.845 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.461 1.918 2.136 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.087 4.330 1.999 1.00 0.54 C ATOM 0 H LEU A 91 8.234 1.890 5.484 1.00 0.37 H new ATOM 0 HA LEU A 91 8.277 4.603 4.618 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.243 2.347 4.659 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.732 3.949 4.165 1.00 0.41 H new ATOM 0 HG LEU A 91 8.256 2.787 2.963 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.897 1.757 1.150 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.546 1.004 2.724 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.409 2.184 2.029 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.519 4.155 1.014 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.036 4.599 1.892 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.622 5.143 2.490 1.00 0.54 H new ATOM 569 N LYS A 92 6.713 4.068 7.433 1.00 0.45 N ATOM 570 CA LYS A 92 6.019 4.785 8.542 1.00 0.53 C ATOM 571 C LYS A 92 6.856 5.988 8.994 1.00 0.63 C ATOM 572 O LYS A 92 6.366 7.094 9.096 1.00 0.85 O ATOM 573 CB LYS A 92 5.816 3.833 9.724 1.00 0.54 C ATOM 574 CG LYS A 92 4.781 4.425 10.684 1.00 0.73 C ATOM 575 CD LYS A 92 4.783 3.634 11.994 1.00 1.20 C ATOM 576 CE LYS A 92 3.839 4.305 12.995 1.00 1.61 C ATOM 577 NZ LYS A 92 3.807 3.513 14.258 1.00 2.27 N ATOM 0 H LYS A 92 6.972 3.102 7.632 1.00 0.45 H new ATOM 0 HA LYS A 92 5.050 5.136 8.186 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.481 2.859 9.367 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.761 3.675 10.244 1.00 0.54 H new ATOM 0 HG2 LYS A 92 5.009 5.473 10.880 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.790 4.394 10.231 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.467 2.607 11.812 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.792 3.589 12.403 1.00 1.20 H new ATOM 0 HE2 LYS A 92 4.173 5.322 13.200 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.836 4.377 12.573 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 3.166 3.969 14.938 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.469 2.550 14.056 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 4.764 3.466 14.663 1.00 2.27 H new ATOM 591 N GLU A 93 8.113 5.782 9.272 1.00 0.62 N ATOM 592 CA GLU A 93 8.972 6.917 9.720 1.00 0.76 C ATOM 593 C GLU A 93 9.233 7.869 8.545 1.00 0.77 C ATOM 594 O GLU A 93 9.158 9.073 8.682 1.00 1.05 O ATOM 595 CB GLU A 93 10.307 6.370 10.243 1.00 0.94 C ATOM 596 CG GLU A 93 10.127 5.833 11.666 1.00 1.22 C ATOM 597 CD GLU A 93 8.982 4.820 11.692 1.00 2.00 C ATOM 598 OE1 GLU A 93 9.172 3.728 11.181 1.00 2.54 O ATOM 599 OE2 GLU A 93 7.935 5.151 12.224 1.00 2.73 O ATOM 0 H GLU A 93 8.583 4.879 9.209 1.00 0.62 H new ATOM 0 HA GLU A 93 8.463 7.462 10.515 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.667 5.576 9.588 1.00 0.94 H new ATOM 0 HB3 GLU A 93 11.061 7.157 10.234 1.00 0.94 H new ATOM 0 HG2 GLU A 93 11.049 5.363 12.007 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.915 6.654 12.351 1.00 1.22 H new ATOM 606 N LYS A 94 9.548 7.336 7.398 1.00 0.80 N ATOM 607 CA LYS A 94 9.828 8.202 6.216 1.00 1.02 C ATOM 608 C LYS A 94 8.513 8.681 5.603 1.00 0.96 C ATOM 609 O LYS A 94 8.380 8.786 4.400 1.00 1.41 O ATOM 610 CB LYS A 94 10.624 7.410 5.176 1.00 1.39 C ATOM 611 CG LYS A 94 11.795 6.694 5.859 1.00 1.63 C ATOM 612 CD LYS A 94 12.635 7.702 6.651 1.00 2.18 C ATOM 613 CE LYS A 94 14.016 7.108 6.944 1.00 2.61 C ATOM 614 NZ LYS A 94 14.838 7.116 5.699 1.00 2.96 N ATOM 0 H LYS A 94 9.624 6.333 7.226 1.00 0.80 H new ATOM 0 HA LYS A 94 10.410 9.067 6.534 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.977 6.683 4.685 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.997 8.080 4.401 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.419 5.918 6.526 1.00 1.63 H new ATOM 0 HG3 LYS A 94 12.415 6.199 5.112 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.740 8.627 6.084 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.132 7.955 7.584 1.00 2.18 H new ATOM 0 HE2 LYS A 94 14.513 7.685 7.724 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.913 6.089 7.318 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.840 7.247 5.945 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 14.720 6.212 5.199 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.528 7.895 5.083 1.00 2.96 H new ATOM 628 N GLY A 95 7.546 8.980 6.429 1.00 1.12 N ATOM 629 CA GLY A 95 6.219 9.468 5.921 1.00 1.51 C ATOM 630 C GLY A 95 5.089 8.648 6.552 1.00 1.10 C ATOM 631 O GLY A 95 5.304 7.568 7.061 1.00 1.71 O ATOM 0 H GLY A 95 7.614 8.908 7.444 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.093 10.524 6.162 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.181 9.382 4.835 1.00 1.51 H new ATOM 635 N GLY A 96 3.882 9.161 6.530 1.00 1.17 N ATOM 636 CA GLY A 96 2.727 8.429 7.139 1.00 0.99 C ATOM 637 C GLY A 96 1.834 7.843 6.037 1.00 0.81 C ATOM 638 O GLY A 96 0.917 8.488 5.568 1.00 0.83 O ATOM 0 H GLY A 96 3.646 10.062 6.113 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.092 7.631 7.785 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.147 9.106 7.766 1.00 0.99 H new ATOM 642 N LEU A 97 2.077 6.625 5.626 1.00 0.67 N ATOM 643 CA LEU A 97 1.221 6.015 4.569 1.00 0.55 C ATOM 644 C LEU A 97 -0.097 5.603 5.230 1.00 0.46 C ATOM 645 O LEU A 97 -1.115 5.445 4.585 1.00 0.49 O ATOM 646 CB LEU A 97 1.937 4.778 3.996 1.00 0.54 C ATOM 647 CG LEU A 97 1.025 3.993 3.034 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.735 4.826 1.784 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.733 2.700 2.620 1.00 0.66 C ATOM 0 H LEU A 97 2.828 6.030 5.976 1.00 0.67 H new ATOM 0 HA LEU A 97 1.032 6.716 3.756 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.840 5.090 3.470 1.00 0.54 H new ATOM 0 HB3 LEU A 97 2.252 4.128 4.812 1.00 0.54 H new ATOM 0 HG LEU A 97 0.085 3.765 3.537 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.090 4.261 1.112 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.237 5.752 2.071 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.671 5.059 1.277 1.00 0.65 H new ATOM 0 HD21 LEU A 97 1.094 2.138 1.939 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.671 2.943 2.121 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.938 2.098 3.505 1.00 0.66 H new ATOM 661 N GLU A 98 -0.072 5.428 6.521 1.00 0.44 N ATOM 662 CA GLU A 98 -1.300 5.025 7.259 1.00 0.40 C ATOM 663 C GLU A 98 -2.438 6.004 6.977 1.00 0.40 C ATOM 664 O GLU A 98 -2.228 7.170 6.707 1.00 0.58 O ATOM 665 CB GLU A 98 -1.004 5.023 8.759 1.00 0.49 C ATOM 666 CG GLU A 98 -2.198 4.456 9.538 1.00 0.48 C ATOM 667 CD GLU A 98 -3.278 5.531 9.703 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.922 6.688 9.852 1.00 2.03 O ATOM 669 OE2 GLU A 98 -4.445 5.176 9.677 1.00 1.94 O ATOM 0 H GLU A 98 0.757 5.549 7.103 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.599 4.030 6.930 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.114 4.427 8.960 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.790 6.038 9.096 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.609 3.594 9.012 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.870 4.106 10.517 1.00 0.48 H new ATOM 676 N GLY A 99 -3.643 5.527 7.068 1.00 0.39 N ATOM 677 CA GLY A 99 -4.832 6.399 6.842 1.00 0.42 C ATOM 678 C GLY A 99 -4.681 7.219 5.556 1.00 0.42 C ATOM 679 O GLY A 99 -5.494 8.075 5.268 1.00 0.46 O ATOM 0 H GLY A 99 -3.862 4.556 7.292 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.731 5.785 6.782 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.961 7.070 7.691 1.00 0.42 H new ATOM 683 N LEU A 100 -3.667 6.973 4.775 1.00 0.41 N ATOM 684 CA LEU A 100 -3.512 7.757 3.513 1.00 0.43 C ATOM 685 C LEU A 100 -4.547 7.253 2.505 1.00 0.42 C ATOM 686 O LEU A 100 -4.467 6.142 2.021 1.00 0.44 O ATOM 687 CB LEU A 100 -2.096 7.569 2.950 1.00 0.45 C ATOM 688 CG LEU A 100 -1.780 8.668 1.920 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.578 10.032 2.614 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.502 8.283 1.160 1.00 1.17 C ATOM 0 H LEU A 100 -2.946 6.273 4.950 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.666 8.818 3.709 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.368 7.601 3.761 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.010 6.588 2.483 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.618 8.758 1.229 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.356 10.792 1.865 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.487 10.306 3.150 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.748 9.963 3.318 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.268 9.055 0.427 1.00 1.17 H new ATOM 0 HD22 LEU A 100 0.325 8.188 1.864 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -0.655 7.332 0.649 1.00 1.17 H new ATOM 702 N ILE A 101 -5.535 8.051 2.205 1.00 0.44 N ATOM 703 CA ILE A 101 -6.587 7.599 1.253 1.00 0.45 C ATOM 704 C ILE A 101 -5.988 7.281 -0.127 1.00 0.46 C ATOM 705 O ILE A 101 -5.596 8.159 -0.869 1.00 0.49 O ATOM 706 CB ILE A 101 -7.698 8.670 1.157 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.678 8.511 2.348 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.461 8.541 -0.170 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.717 7.396 2.076 1.00 0.52 C ATOM 0 H ILE A 101 -5.659 8.993 2.577 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.029 6.676 1.628 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.237 9.657 1.195 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.118 8.277 3.254 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.193 9.455 2.527 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.238 9.303 -0.218 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -7.769 8.675 -1.002 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -8.917 7.553 -0.233 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.389 7.309 2.929 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.293 7.645 1.184 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.202 6.448 1.922 1.00 0.52 H new ATOM 721 N HIS A 102 -5.953 6.017 -0.475 1.00 0.47 N ATOM 722 CA HIS A 102 -5.425 5.610 -1.807 1.00 0.51 C ATOM 723 C HIS A 102 -6.383 6.130 -2.886 1.00 0.58 C ATOM 724 O HIS A 102 -7.454 5.581 -3.100 1.00 0.64 O ATOM 725 CB HIS A 102 -5.323 4.068 -1.871 1.00 0.57 C ATOM 726 CG HIS A 102 -5.323 3.585 -3.301 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.464 3.613 -4.088 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.337 3.049 -4.093 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.141 3.110 -5.292 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.857 2.751 -5.350 1.00 0.70 N ATOM 0 H HIS A 102 -6.271 5.247 0.114 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.432 6.028 -1.969 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.411 3.739 -1.372 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.159 3.622 -1.333 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.383 3.954 -3.805 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.314 2.884 -3.787 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.836 3.009 -6.112 1.00 1.36 H new ATOM 738 N SER A 103 -6.007 7.184 -3.559 1.00 0.60 N ATOM 739 CA SER A 103 -6.881 7.749 -4.623 1.00 0.69 C ATOM 740 C SER A 103 -6.915 6.795 -5.820 1.00 0.76 C ATOM 741 O SER A 103 -7.806 5.980 -5.955 1.00 0.85 O ATOM 742 CB SER A 103 -6.330 9.104 -5.069 1.00 0.74 C ATOM 743 OG SER A 103 -5.017 8.931 -5.585 1.00 1.49 O ATOM 0 H SER A 103 -5.127 7.679 -3.415 1.00 0.60 H new ATOM 0 HA SER A 103 -7.890 7.876 -4.232 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.977 9.540 -5.830 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.314 9.798 -4.228 1.00 0.74 H new ATOM 0 HG SER A 103 -4.944 9.382 -6.452 1.00 1.49 H new ATOM 749 N GLN A 104 -5.946 6.897 -6.693 1.00 0.81 N ATOM 750 CA GLN A 104 -5.910 6.004 -7.889 1.00 0.92 C ATOM 751 C GLN A 104 -4.454 5.769 -8.303 1.00 0.93 C ATOM 752 O GLN A 104 -3.905 4.705 -8.099 1.00 1.37 O ATOM 753 CB GLN A 104 -6.665 6.674 -9.042 1.00 1.06 C ATOM 754 CG GLN A 104 -6.598 5.783 -10.284 1.00 1.76 C ATOM 755 CD GLN A 104 -7.597 6.289 -11.326 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.552 5.610 -11.648 1.00 2.64 O ATOM 757 NE2 GLN A 104 -7.416 7.462 -11.869 1.00 2.70 N ATOM 0 H GLN A 104 -5.176 7.563 -6.628 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.379 5.050 -7.649 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.704 6.844 -8.760 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.229 7.650 -9.258 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -5.589 5.791 -10.697 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.825 4.751 -10.017 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.614 8.031 -11.598 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.076 7.810 -12.564 1.00 2.70 H new ATOM 766 N ARG A 105 -3.828 6.754 -8.887 1.00 0.83 N ATOM 767 CA ARG A 105 -2.409 6.590 -9.319 1.00 0.87 C ATOM 768 C ARG A 105 -1.490 6.549 -8.095 1.00 0.74 C ATOM 769 O ARG A 105 -0.333 6.195 -8.189 1.00 0.70 O ATOM 770 CB ARG A 105 -2.005 7.763 -10.217 1.00 1.06 C ATOM 771 CG ARG A 105 -2.323 9.088 -9.509 1.00 1.71 C ATOM 772 CD ARG A 105 -2.003 10.282 -10.433 1.00 1.99 C ATOM 773 NE ARG A 105 -1.364 11.377 -9.636 1.00 2.86 N ATOM 774 CZ ARG A 105 -1.866 11.765 -8.493 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.017 11.310 -8.083 1.00 3.73 N ATOM 776 NH2 ARG A 105 -1.230 12.650 -7.776 1.00 4.61 N ATOM 0 H ARG A 105 -4.238 7.667 -9.084 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.313 5.656 -9.872 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -0.941 7.708 -10.447 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.539 7.709 -11.166 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.375 9.112 -9.224 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.742 9.165 -8.590 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -1.336 9.966 -11.235 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -2.917 10.646 -10.903 1.00 1.99 H new ATOM 0 HE ARG A 105 -0.521 11.829 -9.992 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.536 10.644 -8.656 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -3.399 11.620 -7.189 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -0.346 13.035 -8.108 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -1.617 12.957 -6.883 1.00 4.61 H new ATOM 790 N ARG A 106 -1.994 6.911 -6.946 1.00 0.71 N ATOM 791 CA ARG A 106 -1.142 6.893 -5.724 1.00 0.65 C ATOM 792 C ARG A 106 -0.537 5.498 -5.543 1.00 0.54 C ATOM 793 O ARG A 106 0.519 5.341 -4.962 1.00 0.50 O ATOM 794 CB ARG A 106 -1.997 7.249 -4.499 1.00 0.70 C ATOM 795 CG ARG A 106 -1.092 7.641 -3.314 1.00 1.01 C ATOM 796 CD ARG A 106 -0.759 9.138 -3.373 1.00 1.24 C ATOM 797 NE ARG A 106 -1.911 9.923 -2.848 1.00 1.86 N ATOM 798 CZ ARG A 106 -1.751 11.177 -2.521 1.00 2.48 C ATOM 799 NH1 ARG A 106 -0.582 11.740 -2.652 1.00 2.86 N ATOM 800 NH2 ARG A 106 -2.762 11.866 -2.064 1.00 3.29 N ATOM 0 H ARG A 106 -2.956 7.217 -6.802 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.339 7.623 -5.829 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.668 8.073 -4.742 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.622 6.400 -4.223 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.592 7.409 -2.373 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.173 7.055 -3.340 1.00 1.01 H new ATOM 0 HD2 ARG A 106 0.135 9.346 -2.785 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -0.541 9.433 -4.399 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.824 9.481 -2.744 1.00 1.86 H new ATOM 0 HH11 ARG A 106 0.207 11.201 -3.010 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -0.456 12.720 -2.397 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -3.676 11.424 -1.963 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -2.638 12.846 -1.808 1.00 3.29 H new ATOM 814 N GLN A 107 -1.193 4.484 -6.037 1.00 0.55 N ATOM 815 CA GLN A 107 -0.649 3.103 -5.892 1.00 0.52 C ATOM 816 C GLN A 107 0.677 2.998 -6.650 1.00 0.49 C ATOM 817 O GLN A 107 1.670 2.538 -6.122 1.00 0.44 O ATOM 818 CB GLN A 107 -1.641 2.094 -6.471 1.00 0.63 C ATOM 819 CG GLN A 107 -1.177 0.674 -6.137 1.00 1.11 C ATOM 820 CD GLN A 107 -2.116 -0.342 -6.789 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.284 -1.438 -6.293 1.00 2.13 O ATOM 822 NE2 GLN A 107 -2.742 -0.025 -7.890 1.00 2.12 N ATOM 0 H GLN A 107 -2.081 4.551 -6.534 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.489 2.888 -4.835 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.636 2.269 -6.061 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.715 2.219 -7.551 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.158 0.521 -6.492 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.164 0.530 -5.057 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.603 0.895 -8.309 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.370 -0.697 -8.331 1.00 2.12 H new ATOM 831 N ASP A 108 0.700 3.420 -7.886 1.00 0.56 N ATOM 832 CA ASP A 108 1.962 3.342 -8.678 1.00 0.59 C ATOM 833 C ASP A 108 3.070 4.096 -7.943 1.00 0.54 C ATOM 834 O ASP A 108 4.171 3.606 -7.788 1.00 0.54 O ATOM 835 CB ASP A 108 1.742 3.971 -10.055 1.00 0.72 C ATOM 836 CG ASP A 108 0.571 3.278 -10.754 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.287 2.760 -10.058 1.00 1.42 O ATOM 838 OD2 ASP A 108 0.553 3.276 -11.974 1.00 1.33 O ATOM 0 H ASP A 108 -0.100 3.815 -8.381 1.00 0.56 H new ATOM 0 HA ASP A 108 2.251 2.298 -8.800 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.538 5.037 -9.951 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.645 3.877 -10.657 1.00 0.72 H new ATOM 843 N ILE A 109 2.789 5.287 -7.483 1.00 0.55 N ATOM 844 CA ILE A 109 3.829 6.070 -6.755 1.00 0.54 C ATOM 845 C ILE A 109 4.491 5.176 -5.703 1.00 0.47 C ATOM 846 O ILE A 109 5.694 5.019 -5.680 1.00 0.53 O ATOM 847 CB ILE A 109 3.172 7.269 -6.061 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.324 8.057 -7.068 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.252 8.181 -5.475 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.149 8.388 -8.318 1.00 1.47 C ATOM 0 H ILE A 109 1.885 5.750 -7.580 1.00 0.55 H new ATOM 0 HA ILE A 109 4.580 6.424 -7.461 1.00 0.54 H new ATOM 0 HB ILE A 109 2.529 6.907 -5.259 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.446 7.475 -7.348 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.963 8.977 -6.608 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.782 9.032 -4.983 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.844 7.624 -4.749 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.900 8.538 -6.275 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.533 8.947 -9.023 1.00 1.47 H new ATOM 0 HD12 ILE A 109 4.013 8.989 -8.035 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.487 7.464 -8.786 1.00 1.47 H new ATOM 862 N LEU A 110 3.713 4.590 -4.836 1.00 0.43 N ATOM 863 CA LEU A 110 4.294 3.706 -3.784 1.00 0.39 C ATOM 864 C LEU A 110 5.133 2.605 -4.441 1.00 0.38 C ATOM 865 O LEU A 110 6.344 2.594 -4.350 1.00 0.38 O ATOM 866 CB LEU A 110 3.159 3.064 -2.977 1.00 0.42 C ATOM 867 CG LEU A 110 3.722 2.400 -1.701 1.00 0.44 C ATOM 868 CD1 LEU A 110 3.823 3.430 -0.568 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.794 1.263 -1.256 1.00 0.66 C ATOM 0 H LEU A 110 2.698 4.685 -4.810 1.00 0.43 H new ATOM 0 HA LEU A 110 4.927 4.298 -3.123 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.422 3.820 -2.707 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.645 2.321 -3.586 1.00 0.42 H new ATOM 0 HG LEU A 110 4.713 2.005 -1.923 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.221 2.950 0.326 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.486 4.240 -0.871 1.00 0.56 H new ATOM 0 HD13 LEU A 110 2.833 3.833 -0.353 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.195 0.797 -0.356 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.802 1.664 -1.046 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.724 0.519 -2.049 1.00 0.66 H new ATOM 881 N ASP A 111 4.494 1.673 -5.093 1.00 0.40 N ATOM 882 CA ASP A 111 5.244 0.561 -5.749 1.00 0.42 C ATOM 883 C ASP A 111 6.353 1.122 -6.645 1.00 0.43 C ATOM 884 O ASP A 111 7.487 0.691 -6.584 1.00 0.42 O ATOM 885 CB ASP A 111 4.281 -0.265 -6.604 1.00 0.50 C ATOM 886 CG ASP A 111 3.291 -0.998 -5.698 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.625 -1.222 -4.546 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.214 -1.322 -6.170 1.00 1.19 O ATOM 0 H ASP A 111 3.481 1.632 -5.201 1.00 0.40 H new ATOM 0 HA ASP A 111 5.691 -0.065 -4.977 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.744 0.384 -7.296 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.838 -0.982 -7.207 1.00 0.50 H new ATOM 893 N LEU A 112 6.034 2.067 -7.485 1.00 0.48 N ATOM 894 CA LEU A 112 7.070 2.637 -8.394 1.00 0.52 C ATOM 895 C LEU A 112 8.157 3.335 -7.577 1.00 0.48 C ATOM 896 O LEU A 112 9.332 3.074 -7.746 1.00 0.47 O ATOM 897 CB LEU A 112 6.410 3.644 -9.344 1.00 0.60 C ATOM 898 CG LEU A 112 7.384 4.029 -10.474 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.400 2.948 -11.566 1.00 1.45 C ATOM 900 CD2 LEU A 112 6.946 5.359 -11.098 1.00 1.26 C ATOM 0 H LEU A 112 5.102 2.470 -7.582 1.00 0.48 H new ATOM 0 HA LEU A 112 7.525 1.832 -8.971 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.502 3.214 -9.768 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.113 4.535 -8.791 1.00 0.60 H new ATOM 0 HG LEU A 112 8.384 4.124 -10.051 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.094 3.238 -12.355 1.00 1.45 H new ATOM 0 HD12 LEU A 112 7.718 1.999 -11.134 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.400 2.839 -11.985 1.00 1.45 H new ATOM 0 HD21 LEU A 112 7.636 5.631 -11.897 1.00 1.26 H new ATOM 0 HD22 LEU A 112 5.940 5.256 -11.506 1.00 1.26 H new ATOM 0 HD23 LEU A 112 6.950 6.138 -10.335 1.00 1.26 H new ATOM 912 N TRP A 113 7.783 4.218 -6.696 1.00 0.48 N ATOM 913 CA TRP A 113 8.807 4.924 -5.877 1.00 0.48 C ATOM 914 C TRP A 113 9.751 3.896 -5.253 1.00 0.43 C ATOM 915 O TRP A 113 10.950 4.084 -5.218 1.00 0.45 O ATOM 916 CB TRP A 113 8.110 5.723 -4.772 1.00 0.52 C ATOM 917 CG TRP A 113 9.130 6.363 -3.885 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.807 7.500 -4.167 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.589 5.926 -2.577 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.655 7.787 -3.110 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.555 6.844 -2.105 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.261 4.831 -1.762 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.175 6.678 -0.864 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.879 4.657 -0.516 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.835 5.579 -0.066 1.00 0.67 C ATOM 0 H TRP A 113 6.816 4.481 -6.507 1.00 0.48 H new ATOM 0 HA TRP A 113 9.379 5.604 -6.508 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.469 6.486 -5.213 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.467 5.066 -4.186 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.703 8.087 -5.068 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.277 8.595 -3.078 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.525 4.116 -2.098 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.911 7.392 -0.523 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.618 3.809 0.100 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.308 5.441 0.895 1.00 0.67 H new ATOM 936 N ILE A 114 9.224 2.810 -4.760 1.00 0.39 N ATOM 937 CA ILE A 114 10.104 1.779 -4.142 1.00 0.37 C ATOM 938 C ILE A 114 11.104 1.258 -5.185 1.00 0.39 C ATOM 939 O ILE A 114 12.209 0.873 -4.859 1.00 0.44 O ATOM 940 CB ILE A 114 9.254 0.618 -3.606 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.443 1.114 -2.401 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.176 -0.530 -3.174 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.461 0.038 -1.933 1.00 1.00 C ATOM 0 H ILE A 114 8.228 2.592 -4.758 1.00 0.39 H new ATOM 0 HA ILE A 114 10.653 2.227 -3.314 1.00 0.37 H new ATOM 0 HB ILE A 114 8.577 0.260 -4.382 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.117 1.378 -1.586 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.898 2.019 -2.670 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.575 -1.356 -2.793 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.759 -0.870 -4.030 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.850 -0.181 -2.392 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.895 0.409 -1.078 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.775 -0.206 -2.744 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.012 -0.856 -1.643 1.00 1.00 H new ATOM 955 N TYR A 115 10.723 1.223 -6.434 1.00 0.40 N ATOM 956 CA TYR A 115 11.655 0.708 -7.481 1.00 0.46 C ATOM 957 C TYR A 115 12.860 1.650 -7.645 1.00 0.51 C ATOM 958 O TYR A 115 13.993 1.260 -7.441 1.00 0.54 O ATOM 959 CB TYR A 115 10.900 0.583 -8.811 1.00 0.53 C ATOM 960 CG TYR A 115 11.761 -0.117 -9.845 1.00 0.59 C ATOM 961 CD1 TYR A 115 12.173 -1.441 -9.638 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.142 0.554 -11.018 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.961 -2.089 -10.598 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.929 -0.097 -11.976 1.00 0.82 C ATOM 965 CZ TYR A 115 13.338 -1.419 -11.766 1.00 0.77 C ATOM 966 OH TYR A 115 14.112 -2.061 -12.712 1.00 0.87 O ATOM 0 H TYR A 115 9.811 1.527 -6.774 1.00 0.40 H new ATOM 0 HA TYR A 115 12.027 -0.270 -7.177 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.976 0.025 -8.661 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.620 1.573 -9.172 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.883 -1.962 -8.738 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.828 1.574 -11.182 1.00 0.74 H new ATOM 0 HE1 TYR A 115 13.278 -3.109 -10.436 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.221 0.421 -12.878 1.00 0.82 H new ATOM 0 HH TYR A 115 14.283 -1.454 -13.462 1.00 0.87 H new ATOM 976 N HIS A 116 12.628 2.877 -8.030 1.00 0.58 N ATOM 977 CA HIS A 116 13.763 3.835 -8.229 1.00 0.67 C ATOM 978 C HIS A 116 14.510 4.093 -6.912 1.00 0.67 C ATOM 979 O HIS A 116 15.423 4.892 -6.872 1.00 0.81 O ATOM 980 CB HIS A 116 13.214 5.170 -8.742 1.00 0.79 C ATOM 981 CG HIS A 116 12.456 4.957 -10.021 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.916 5.428 -11.241 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.263 4.336 -10.287 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.011 5.085 -12.176 1.00 2.71 C ATOM 985 NE2 HIS A 116 10.983 4.417 -11.648 1.00 2.74 N ATOM 0 H HIS A 116 11.701 3.261 -8.216 1.00 0.58 H new ATOM 0 HA HIS A 116 14.454 3.396 -8.948 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.560 5.616 -7.992 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.033 5.870 -8.907 1.00 0.79 H new ATOM 0 HD2 HIS A 116 10.635 3.856 -9.551 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.105 5.321 -13.226 1.00 2.71 H new ATOM 0 HE2 HIS A 116 10.168 4.046 -12.137 1.00 2.74 H new ATOM 993 N THR A 117 14.128 3.455 -5.829 1.00 0.63 N ATOM 994 CA THR A 117 14.823 3.714 -4.520 1.00 0.68 C ATOM 995 C THR A 117 15.871 2.639 -4.212 1.00 0.66 C ATOM 996 O THR A 117 17.030 2.788 -4.540 1.00 0.73 O ATOM 997 CB THR A 117 13.793 3.747 -3.388 1.00 0.80 C ATOM 998 OG1 THR A 117 12.931 2.630 -3.503 1.00 0.85 O ATOM 999 CG2 THR A 117 12.974 5.041 -3.465 1.00 0.91 C ATOM 0 H THR A 117 13.372 2.771 -5.792 1.00 0.63 H new ATOM 0 HA THR A 117 15.332 4.675 -4.599 1.00 0.68 H new ATOM 0 HB THR A 117 14.311 3.710 -2.429 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.214 2.075 -4.259 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.243 5.058 -2.657 1.00 0.91 H new ATOM 0 HG22 THR A 117 13.640 5.899 -3.370 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.456 5.087 -4.423 1.00 0.91 H new ATOM 1007 N GLN A 118 15.490 1.572 -3.552 1.00 0.73 N ATOM 1008 CA GLN A 118 16.470 0.534 -3.196 1.00 0.83 C ATOM 1009 C GLN A 118 16.645 -0.427 -4.361 1.00 0.72 C ATOM 1010 O GLN A 118 16.937 -0.040 -5.471 1.00 0.91 O ATOM 1011 CB GLN A 118 15.958 -0.227 -1.963 1.00 1.06 C ATOM 1012 CG GLN A 118 15.711 0.754 -0.802 1.00 1.48 C ATOM 1013 CD GLN A 118 14.678 0.168 0.167 1.00 2.12 C ATOM 1014 OE1 GLN A 118 14.863 0.208 1.367 1.00 2.89 O ATOM 1015 NE2 GLN A 118 13.591 -0.379 -0.308 1.00 2.13 N ATOM 0 H GLN A 118 14.534 1.387 -3.249 1.00 0.73 H new ATOM 0 HA GLN A 118 17.433 0.993 -2.972 1.00 0.83 H new ATOM 0 HB2 GLN A 118 15.035 -0.753 -2.208 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.685 -0.982 -1.664 1.00 1.06 H new ATOM 0 HG2 GLN A 118 16.645 0.951 -0.276 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.357 1.709 -1.191 1.00 1.48 H new ATOM 0 HE21 GLN A 118 13.435 -0.413 -1.315 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.898 -0.772 0.329 1.00 2.13 H new ATOM 1024 N GLY A 119 16.477 -1.680 -4.089 1.00 0.86 N ATOM 1025 CA GLY A 119 16.631 -2.742 -5.139 1.00 0.85 C ATOM 1026 C GLY A 119 15.385 -3.627 -5.203 1.00 0.65 C ATOM 1027 O GLY A 119 15.322 -4.560 -5.977 1.00 0.67 O ATOM 0 H GLY A 119 16.233 -2.034 -3.164 1.00 0.86 H new ATOM 0 HA2 GLY A 119 16.803 -2.278 -6.110 1.00 0.85 H new ATOM 0 HA3 GLY A 119 17.506 -3.353 -4.919 1.00 0.85 H new ATOM 1031 N TYR A 120 14.414 -3.386 -4.373 1.00 0.54 N ATOM 1032 CA TYR A 120 13.215 -4.270 -4.377 1.00 0.44 C ATOM 1033 C TYR A 120 12.350 -4.023 -5.613 1.00 0.49 C ATOM 1034 O TYR A 120 12.103 -2.902 -6.011 1.00 0.70 O ATOM 1035 CB TYR A 120 12.396 -4.022 -3.106 1.00 0.48 C ATOM 1036 CG TYR A 120 13.156 -4.553 -1.905 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.447 -5.920 -1.800 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.573 -3.673 -0.898 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.155 -6.400 -0.691 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.281 -4.156 0.208 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.574 -5.519 0.311 1.00 0.75 C ATOM 1042 OH TYR A 120 15.272 -5.995 1.402 1.00 0.91 O ATOM 0 H TYR A 120 14.395 -2.623 -3.697 1.00 0.54 H new ATOM 0 HA TYR A 120 13.549 -5.307 -4.404 1.00 0.44 H new ATOM 0 HB2 TYR A 120 12.204 -2.956 -2.986 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.426 -4.514 -3.183 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.126 -6.602 -2.573 1.00 0.58 H new ATOM 0 HD2 TYR A 120 13.348 -2.620 -0.975 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.378 -7.454 -0.609 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.601 -3.475 0.983 1.00 0.71 H new ATOM 0 HH TYR A 120 15.488 -5.251 2.002 1.00 0.91 H new ATOM 1052 N PHE A 121 11.887 -5.091 -6.216 1.00 0.48 N ATOM 1053 CA PHE A 121 11.026 -4.981 -7.433 1.00 0.57 C ATOM 1054 C PHE A 121 9.551 -5.081 -7.007 1.00 0.55 C ATOM 1055 O PHE A 121 9.214 -5.896 -6.170 1.00 0.59 O ATOM 1056 CB PHE A 121 11.355 -6.144 -8.377 1.00 0.68 C ATOM 1057 CG PHE A 121 10.647 -5.953 -9.698 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.285 -6.253 -9.813 1.00 2.33 C ATOM 1059 CD2 PHE A 121 11.355 -5.481 -10.812 1.00 2.32 C ATOM 1060 CE1 PHE A 121 8.630 -6.081 -11.038 1.00 3.43 C ATOM 1061 CE2 PHE A 121 10.700 -5.309 -12.037 1.00 3.44 C ATOM 1062 CZ PHE A 121 9.337 -5.609 -12.150 1.00 3.85 C ATOM 0 H PHE A 121 12.072 -6.047 -5.911 1.00 0.48 H new ATOM 0 HA PHE A 121 11.204 -4.031 -7.937 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.432 -6.200 -8.537 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.050 -7.088 -7.925 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.739 -6.618 -8.956 1.00 2.33 H new ATOM 0 HD2 PHE A 121 12.406 -5.250 -10.725 1.00 2.32 H new ATOM 0 HE1 PHE A 121 7.579 -6.313 -11.125 1.00 3.43 H new ATOM 0 HE2 PHE A 121 11.246 -4.945 -12.895 1.00 3.44 H new ATOM 0 HZ PHE A 121 8.831 -5.476 -13.095 1.00 3.85 H new ATOM 1072 N PRO A 122 8.667 -4.276 -7.557 1.00 0.64 N ATOM 1073 CA PRO A 122 7.224 -4.322 -7.185 1.00 0.67 C ATOM 1074 C PRO A 122 6.475 -5.482 -7.854 1.00 0.73 C ATOM 1075 O PRO A 122 6.004 -5.378 -8.970 1.00 1.19 O ATOM 1076 CB PRO A 122 6.693 -2.973 -7.678 1.00 0.80 C ATOM 1077 CG PRO A 122 7.530 -2.664 -8.877 1.00 1.05 C ATOM 1078 CD PRO A 122 8.924 -3.235 -8.578 1.00 0.87 C ATOM 0 HA PRO A 122 7.083 -4.487 -6.117 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.635 -3.032 -7.935 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.793 -2.202 -6.914 1.00 0.80 H new ATOM 0 HG2 PRO A 122 7.108 -3.116 -9.775 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.578 -1.589 -9.053 1.00 1.05 H new ATOM 0 HD2 PRO A 122 9.384 -3.656 -9.472 1.00 0.87 H new ATOM 0 HD3 PRO A 122 9.600 -2.466 -8.204 1.00 0.87 H new ATOM 1086 N ASP A 123 6.352 -6.577 -7.162 1.00 0.56 N ATOM 1087 CA ASP A 123 5.625 -7.756 -7.714 1.00 0.64 C ATOM 1088 C ASP A 123 5.073 -8.550 -6.535 1.00 0.58 C ATOM 1089 O ASP A 123 4.688 -9.695 -6.654 1.00 0.65 O ATOM 1090 CB ASP A 123 6.585 -8.629 -8.522 1.00 0.74 C ATOM 1091 CG ASP A 123 7.870 -8.848 -7.722 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.787 -8.892 -6.505 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.916 -8.966 -8.339 1.00 1.38 O ATOM 0 H ASP A 123 6.729 -6.709 -6.224 1.00 0.56 H new ATOM 0 HA ASP A 123 4.818 -7.434 -8.372 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.118 -9.587 -8.750 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.814 -8.151 -9.475 1.00 0.74 H new ATOM 1098 N TRP A 124 5.039 -7.922 -5.391 1.00 0.53 N ATOM 1099 CA TRP A 124 4.526 -8.575 -4.155 1.00 0.52 C ATOM 1100 C TRP A 124 3.264 -7.848 -3.724 1.00 0.51 C ATOM 1101 O TRP A 124 2.508 -8.307 -2.891 1.00 0.55 O ATOM 1102 CB TRP A 124 5.580 -8.428 -3.063 1.00 0.49 C ATOM 1103 CG TRP A 124 5.891 -6.973 -2.912 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.894 -6.315 -3.542 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.191 -5.978 -2.111 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.858 -4.983 -3.168 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.826 -4.726 -2.288 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.079 -6.043 -1.253 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.373 -3.579 -1.638 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.619 -4.889 -0.597 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.265 -3.660 -0.790 1.00 0.55 C ATOM 0 H TRP A 124 5.353 -6.961 -5.260 1.00 0.53 H new ATOM 0 HA TRP A 124 4.313 -9.629 -4.332 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.214 -8.839 -2.122 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.480 -8.985 -3.325 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.605 -6.757 -4.224 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.514 -4.277 -3.502 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.575 -6.986 -1.097 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.875 -2.635 -1.789 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.763 -4.949 0.059 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.907 -2.776 -0.284 1.00 0.55 H new ATOM 1122 N GLN A 125 3.049 -6.709 -4.295 1.00 0.53 N ATOM 1123 CA GLN A 125 1.848 -5.905 -3.947 1.00 0.60 C ATOM 1124 C GLN A 125 0.617 -6.513 -4.613 1.00 0.66 C ATOM 1125 O GLN A 125 0.433 -6.434 -5.811 1.00 0.84 O ATOM 1126 CB GLN A 125 2.046 -4.453 -4.410 1.00 0.69 C ATOM 1127 CG GLN A 125 2.353 -4.397 -5.928 1.00 1.56 C ATOM 1128 CD GLN A 125 1.077 -4.088 -6.722 1.00 2.18 C ATOM 1129 OE1 GLN A 125 0.699 -4.835 -7.602 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.396 -3.011 -6.444 1.00 2.82 N ATOM 0 H GLN A 125 3.658 -6.290 -4.998 1.00 0.53 H new ATOM 0 HA GLN A 125 1.703 -5.911 -2.867 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.149 -3.872 -4.194 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.864 -3.997 -3.852 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.105 -3.633 -6.125 1.00 1.56 H new ATOM 0 HG3 GLN A 125 2.771 -5.349 -6.256 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.713 -2.384 -5.705 1.00 2.82 H new ATOM 0 HE22 GLN A 125 -0.454 -2.796 -6.966 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.227 -7.123 -3.836 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.457 -7.745 -4.392 1.00 0.72 C ATOM 1141 C ASN A 126 -2.496 -7.803 -3.278 1.00 0.69 C ATOM 1142 O ASN A 126 -2.177 -7.622 -2.120 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.138 -9.155 -4.890 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.267 -9.069 -6.145 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.747 -9.254 -7.245 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.006 -8.792 -6.027 1.00 0.88 N ATOM 0 H ASN A 126 -0.117 -7.219 -2.827 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.839 -7.162 -5.230 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.620 -9.718 -4.113 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.061 -9.691 -5.111 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.594 -8.732 -6.858 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.411 -8.636 -5.104 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.742 -8.032 -3.599 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.778 -8.070 -2.525 1.00 0.61 C ATOM 1155 C TYR A 127 -6.038 -8.783 -3.036 1.00 0.63 C ATOM 1156 O TYR A 127 -6.224 -8.980 -4.221 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.170 -6.630 -2.094 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.022 -5.658 -2.273 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.650 -5.239 -3.558 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.335 -5.166 -1.154 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.592 -4.335 -3.723 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.279 -4.262 -1.320 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.907 -3.848 -2.603 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.866 -2.958 -2.764 1.00 1.48 O ATOM 0 H TYR A 127 -4.085 -8.193 -4.546 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.361 -8.607 -1.673 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.025 -6.295 -2.681 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.483 -6.635 -1.050 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.179 -5.613 -4.422 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -3.621 -5.485 -0.163 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.305 -4.014 -4.713 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -1.751 -3.884 -0.457 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.501 -2.719 -1.886 1.00 1.48 H new ATOM 1174 N THR A 128 -6.904 -9.158 -2.133 1.00 0.62 N ATOM 1175 CA THR A 128 -8.167 -9.849 -2.531 1.00 0.68 C ATOM 1176 C THR A 128 -8.984 -8.892 -3.413 1.00 0.75 C ATOM 1177 O THR A 128 -8.531 -7.814 -3.733 1.00 0.97 O ATOM 1178 CB THR A 128 -8.962 -10.228 -1.263 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.982 -9.266 -1.033 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.032 -10.268 -0.049 1.00 0.90 C ATOM 0 H THR A 128 -6.791 -9.015 -1.129 1.00 0.62 H new ATOM 0 HA THR A 128 -7.949 -10.760 -3.088 1.00 0.68 H new ATOM 0 HB THR A 128 -9.407 -11.212 -1.410 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.486 -9.510 -0.229 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.604 -10.536 0.839 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.250 -11.009 -0.214 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.578 -9.287 0.094 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.323 -5.534 2.068 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.355 -6.122 1.099 1.00 0.49 C ATOM 1251 C ARG A 134 -7.987 -6.301 1.767 1.00 0.40 C ATOM 1252 O ARG A 134 -7.238 -5.359 1.948 1.00 0.38 O ATOM 1253 CB ARG A 134 -9.241 -5.168 -0.092 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.629 -5.879 -1.301 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.165 -4.831 -2.323 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.023 -5.464 -3.663 1.00 1.86 N ATOM 1257 CZ ARG A 134 -7.924 -4.718 -4.729 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.947 -3.418 -4.621 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -7.802 -5.272 -5.904 1.00 3.36 N ATOM 0 HA ARG A 134 -9.700 -7.101 0.765 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -10.227 -4.784 -0.351 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -8.626 -4.310 0.181 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -7.787 -6.496 -0.987 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.362 -6.547 -1.754 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.884 -4.013 -2.371 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -7.213 -4.401 -2.011 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.003 -6.480 -3.748 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -8.042 -2.984 -3.703 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -7.870 -2.836 -5.455 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -7.784 -6.288 -5.989 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -7.725 -4.689 -6.737 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.663 -7.519 2.134 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.349 -7.789 2.793 1.00 0.39 C ATOM 1275 C TYR A 135 -5.293 -8.072 1.714 1.00 0.36 C ATOM 1276 O TYR A 135 -5.619 -8.511 0.630 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.470 -9.018 3.732 1.00 0.46 C ATOM 1278 CG TYR A 135 -7.913 -9.238 4.131 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -8.677 -8.169 4.607 1.00 0.66 C ATOM 1280 CD2 TYR A 135 -8.484 -10.515 4.032 1.00 0.72 C ATOM 1281 CE1 TYR A 135 -10.008 -8.374 4.987 1.00 0.85 C ATOM 1282 CE2 TYR A 135 -9.813 -10.721 4.414 1.00 0.91 C ATOM 1283 CZ TYR A 135 -10.575 -9.651 4.893 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.887 -9.852 5.270 1.00 1.17 O ATOM 0 H TYR A 135 -8.256 -8.339 2.004 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.054 -6.920 3.381 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -6.086 -9.906 3.230 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -5.859 -8.865 4.622 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -8.240 -7.184 4.682 1.00 0.66 H new ATOM 0 HD2 TYR A 135 -7.896 -11.341 3.660 1.00 0.72 H new ATOM 0 HE1 TYR A 135 -10.598 -7.547 5.353 1.00 0.85 H new ATOM 0 HE2 TYR A 135 -10.251 -11.706 4.339 1.00 0.91 H new ATOM 0 HH TYR A 135 -12.124 -10.794 5.141 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.036 -7.856 2.011 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.941 -8.132 1.043 1.00 0.38 C ATOM 1296 C PRO A 136 -2.663 -9.635 0.944 1.00 0.37 C ATOM 1297 O PRO A 136 -2.506 -10.311 1.941 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.743 -7.387 1.639 1.00 0.42 C ATOM 1299 CG PRO A 136 -1.989 -7.400 3.113 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.510 -7.323 3.286 1.00 0.44 C ATOM 0 HA PRO A 136 -3.178 -7.810 0.029 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.804 -7.881 1.389 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.679 -6.368 1.256 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.590 -8.307 3.568 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.498 -6.557 3.598 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -3.847 -7.915 4.137 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.842 -6.299 3.459 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.599 -10.163 -0.245 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.331 -11.618 -0.384 1.00 0.43 C ATOM 1310 C LEU A 137 -1.040 -11.940 0.359 1.00 0.41 C ATOM 1311 O LEU A 137 -0.972 -12.882 1.124 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.196 -11.973 -1.862 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.332 -11.328 -2.665 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.401 -11.961 -4.053 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.678 -11.539 -1.957 1.00 0.92 C ATOM 0 H LEU A 137 -2.720 -9.654 -1.120 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.151 -12.199 0.037 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.233 -11.630 -2.240 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.220 -13.055 -1.988 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.133 -10.260 -2.748 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.209 -11.502 -4.623 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.456 -11.803 -4.572 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.588 -13.031 -3.956 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.473 -11.075 -2.541 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.875 -12.607 -1.860 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.643 -11.085 -0.966 1.00 0.92 H new ATOM 1327 N THR A 138 -0.021 -11.151 0.170 1.00 0.50 N ATOM 1328 CA THR A 138 1.244 -11.406 0.903 1.00 0.55 C ATOM 1329 C THR A 138 0.997 -11.125 2.384 1.00 0.47 C ATOM 1330 O THR A 138 0.215 -10.266 2.743 1.00 0.50 O ATOM 1331 CB THR A 138 2.363 -10.493 0.377 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.803 -9.260 -0.055 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.077 -11.168 -0.797 1.00 1.04 C ATOM 0 H THR A 138 -0.011 -10.346 -0.456 1.00 0.50 H new ATOM 0 HA THR A 138 1.556 -12.440 0.758 1.00 0.55 H new ATOM 0 HB THR A 138 3.082 -10.309 1.176 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.115 -9.059 -0.962 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.869 -10.516 -1.165 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.509 -12.112 -0.466 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.362 -11.358 -1.597 1.00 1.04 H new ATOM 1341 N PHE A 139 1.657 -11.844 3.241 1.00 0.51 N ATOM 1342 CA PHE A 139 1.480 -11.639 4.712 1.00 0.49 C ATOM 1343 C PHE A 139 2.654 -10.798 5.241 1.00 0.65 C ATOM 1344 O PHE A 139 3.667 -10.656 4.587 1.00 1.43 O ATOM 1345 CB PHE A 139 1.426 -13.021 5.390 1.00 0.52 C ATOM 1346 CG PHE A 139 1.721 -12.911 6.866 1.00 0.50 C ATOM 1347 CD1 PHE A 139 3.051 -12.903 7.299 1.00 0.59 C ATOM 1348 CD2 PHE A 139 0.676 -12.824 7.803 1.00 0.67 C ATOM 1349 CE1 PHE A 139 3.341 -12.808 8.660 1.00 0.62 C ATOM 1350 CE2 PHE A 139 0.974 -12.729 9.163 1.00 0.77 C ATOM 1351 CZ PHE A 139 2.305 -12.722 9.590 1.00 0.66 C ATOM 0 H PHE A 139 2.321 -12.576 2.988 1.00 0.51 H new ATOM 0 HA PHE A 139 0.554 -11.106 4.930 1.00 0.49 H new ATOM 0 HB2 PHE A 139 0.440 -13.463 5.244 1.00 0.52 H new ATOM 0 HB3 PHE A 139 2.148 -13.689 4.920 1.00 0.52 H new ATOM 0 HD1 PHE A 139 3.854 -12.970 6.579 1.00 0.59 H new ATOM 0 HD2 PHE A 139 -0.352 -12.831 7.472 1.00 0.67 H new ATOM 0 HE1 PHE A 139 4.368 -12.801 8.994 1.00 0.62 H new ATOM 0 HE2 PHE A 139 0.175 -12.661 9.887 1.00 0.77 H new ATOM 0 HZ PHE A 139 2.532 -12.650 10.643 1.00 0.66 H new ATOM 1361 N GLY A 140 2.526 -10.237 6.415 1.00 0.46 N ATOM 1362 CA GLY A 140 3.638 -9.407 6.980 1.00 0.43 C ATOM 1363 C GLY A 140 3.455 -7.935 6.587 1.00 0.35 C ATOM 1364 O GLY A 140 3.914 -7.040 7.268 1.00 0.32 O ATOM 0 H GLY A 140 1.701 -10.316 7.009 1.00 0.46 H new ATOM 0 HA2 GLY A 140 3.656 -9.501 8.066 1.00 0.43 H new ATOM 0 HA3 GLY A 140 4.597 -9.772 6.612 1.00 0.43 H new ATOM 1368 N TRP A 141 2.792 -7.677 5.496 1.00 0.34 N ATOM 1369 CA TRP A 141 2.582 -6.263 5.057 1.00 0.29 C ATOM 1370 C TRP A 141 1.623 -5.581 6.044 1.00 0.32 C ATOM 1371 O TRP A 141 0.448 -5.870 6.088 1.00 0.40 O ATOM 1372 CB TRP A 141 2.004 -6.301 3.635 1.00 0.33 C ATOM 1373 CG TRP A 141 1.867 -4.933 3.018 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.725 -4.483 2.450 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.853 -3.853 2.849 1.00 0.28 C ATOM 1376 NE1 TRP A 141 0.932 -3.219 1.945 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.218 -2.780 2.170 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.209 -3.686 3.210 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.890 -1.599 1.860 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.887 -2.492 2.898 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.229 -1.453 2.225 1.00 0.33 C ATOM 0 H TRP A 141 2.384 -8.384 4.885 1.00 0.34 H new ATOM 0 HA TRP A 141 3.512 -5.694 5.046 1.00 0.29 H new ATOM 0 HB2 TRP A 141 2.646 -6.915 3.004 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.026 -6.782 3.659 1.00 0.33 H new ATOM 0 HD1 TRP A 141 -0.205 -5.030 2.400 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.218 -2.673 1.462 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.728 -4.479 3.728 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.378 -0.802 1.341 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.923 -2.376 3.180 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.757 -0.541 1.989 1.00 0.33 H new ATOM 1392 N CYS A 142 2.145 -4.708 6.871 1.00 0.31 N ATOM 1393 CA CYS A 142 1.311 -4.030 7.913 1.00 0.40 C ATOM 1394 C CYS A 142 0.309 -3.045 7.310 1.00 0.39 C ATOM 1395 O CYS A 142 -0.239 -2.231 8.021 1.00 0.48 O ATOM 1396 CB CYS A 142 2.241 -3.249 8.846 1.00 0.47 C ATOM 1397 SG CYS A 142 3.716 -4.239 9.198 1.00 1.45 S ATOM 0 H CYS A 142 3.127 -4.433 6.868 1.00 0.31 H new ATOM 0 HA CYS A 142 0.751 -4.801 8.442 1.00 0.40 H new ATOM 0 HB2 CYS A 142 2.526 -2.304 8.384 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.723 -3.007 9.774 1.00 0.47 H new ATOM 0 HG CYS A 142 4.780 -3.552 8.904 1.00 1.45 H new ATOM 1403 N TYR A 143 0.057 -3.097 6.028 1.00 0.38 N ATOM 1404 CA TYR A 143 -0.924 -2.137 5.417 1.00 0.40 C ATOM 1405 C TYR A 143 -2.036 -2.912 4.710 1.00 0.43 C ATOM 1406 O TYR A 143 -1.791 -3.700 3.817 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.202 -1.249 4.400 1.00 0.55 C ATOM 1408 CG TYR A 143 0.621 -0.199 5.113 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.017 0.811 5.843 1.00 2.16 C ATOM 1410 CD2 TYR A 143 2.021 -0.227 5.036 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.743 1.790 6.496 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.779 0.752 5.687 1.00 3.14 C ATOM 1413 CZ TYR A 143 2.140 1.761 6.417 1.00 3.52 C ATOM 1414 OH TYR A 143 2.888 2.727 7.060 1.00 4.57 O ATOM 0 H TYR A 143 0.483 -3.757 5.377 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.358 -1.519 6.203 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.443 -1.859 3.767 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.929 -0.769 3.745 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.095 0.835 5.903 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.515 -1.006 4.473 1.00 2.17 H new ATOM 0 HE1 TYR A 143 0.251 2.568 7.061 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.857 0.729 5.626 1.00 3.14 H new ATOM 0 HH TYR A 143 3.841 2.560 6.905 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.262 -2.676 5.103 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.428 -3.366 4.467 1.00 0.51 C ATOM 1426 C LYS A 144 -5.447 -2.302 4.054 1.00 0.43 C ATOM 1427 O LYS A 144 -5.692 -1.356 4.777 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.057 -4.329 5.477 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.557 -3.553 6.703 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.719 -4.508 7.892 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.627 -5.674 7.496 1.00 1.57 C ATOM 1432 NZ LYS A 144 -6.999 -6.449 8.715 1.00 2.32 N ATOM 0 H LYS A 144 -3.509 -2.025 5.848 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.108 -3.932 3.592 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.885 -4.865 5.013 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.325 -5.076 5.783 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.853 -2.760 6.955 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.510 -3.073 6.478 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -4.745 -4.883 8.205 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.144 -3.976 8.743 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.524 -5.300 7.002 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.117 -6.321 6.782 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -6.488 -7.355 8.720 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.746 -5.904 9.564 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.023 -6.630 8.712 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.030 -2.430 2.890 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.011 -1.400 2.439 1.00 0.37 C ATOM 1448 C LEU A 145 -8.369 -1.643 3.100 1.00 0.38 C ATOM 1449 O LEU A 145 -8.740 -2.763 3.402 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.145 -1.449 0.914 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.816 -1.027 0.254 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.756 -1.572 -1.175 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.699 0.506 0.207 1.00 0.52 C ATOM 0 H LEU A 145 -5.871 -3.197 2.237 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.655 -0.412 2.732 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.415 -2.456 0.597 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.948 -0.787 0.590 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.994 -1.431 0.845 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.816 -1.273 -1.639 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.819 -2.660 -1.152 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.590 -1.172 -1.752 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.755 0.785 -0.262 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.527 0.917 -0.371 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.732 0.905 1.221 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.106 -0.586 3.321 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.443 -0.696 3.972 1.00 0.50 C ATOM 1467 C VAL A 146 -11.274 0.526 3.537 1.00 0.59 C ATOM 1468 O VAL A 146 -10.769 1.631 3.523 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.267 -0.646 5.503 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.617 -0.817 6.202 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.326 -1.761 5.971 1.00 0.56 C ATOM 0 H VAL A 146 -8.832 0.365 3.073 1.00 0.43 H new ATOM 0 HA VAL A 146 -10.931 -1.628 3.688 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.841 0.324 5.760 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.475 -0.779 7.282 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.289 -0.015 5.896 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.050 -1.779 5.926 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.213 -1.711 7.054 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.743 -2.729 5.694 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.352 -1.637 5.498 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.528 0.351 3.179 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.390 1.489 2.739 1.00 0.81 C ATOM 1483 C PRO A 147 -13.825 2.375 3.913 1.00 0.91 C ATOM 1484 O PRO A 147 -13.704 2.006 5.064 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.597 0.795 2.097 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.703 -0.511 2.813 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.267 -0.928 3.144 1.00 0.75 C ATOM 0 HA PRO A 147 -12.867 2.163 2.060 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.504 1.387 2.215 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.448 0.650 1.027 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.299 -0.412 3.720 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.193 -1.259 2.190 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.212 -1.448 4.100 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.863 -1.603 2.390 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.169 4.089 -1.398 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.854 3.310 -0.145 1.00 0.52 C ATOM 1782 C LEU A 181 -8.604 3.868 0.550 1.00 0.47 C ATOM 1783 O LEU A 181 -7.818 4.570 -0.045 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.596 1.844 -0.517 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.764 1.292 -1.346 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.374 -0.071 -1.920 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.010 1.136 -0.463 1.00 0.87 C ATOM 0 HA LEU A 181 -10.702 3.393 0.535 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.669 1.763 -1.084 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.470 1.249 0.387 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.988 1.986 -2.157 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.201 -0.467 -2.510 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.495 0.040 -2.555 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.148 -0.758 -1.105 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.833 0.744 -1.061 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.794 0.447 0.353 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.290 2.107 -0.053 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.420 3.547 1.816 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.217 4.032 2.578 1.00 0.45 C ATOM 1801 C GLU A 182 -6.399 2.855 3.121 1.00 0.42 C ATOM 1802 O GLU A 182 -6.933 1.847 3.538 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.674 4.889 3.764 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.638 4.082 4.634 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.184 4.972 5.753 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.507 5.921 6.110 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -10.269 4.687 6.232 1.00 1.49 O ATOM 0 H GLU A 182 -9.059 2.964 2.357 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.598 4.615 1.896 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.812 5.203 4.353 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.163 5.795 3.405 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.458 3.699 4.027 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.125 3.219 5.059 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.096 3.004 3.144 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.215 1.928 3.689 1.00 0.38 C ATOM 1816 C TRP A 183 -4.298 1.966 5.219 1.00 0.37 C ATOM 1817 O TRP A 183 -3.896 2.932 5.835 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.755 2.192 3.285 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.492 1.770 1.875 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.374 0.491 1.450 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.276 2.610 0.708 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.094 0.495 0.095 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.029 1.781 -0.410 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.273 4.001 0.516 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.784 2.317 -1.677 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.028 4.545 -0.754 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.784 3.705 -1.849 1.00 0.41 C ATOM 0 H TRP A 183 -4.604 3.831 2.806 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.537 0.962 3.299 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.532 3.253 3.396 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.087 1.654 3.958 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.481 -0.389 2.067 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.953 -0.347 -0.463 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.461 4.658 1.353 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.596 1.665 -2.517 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.027 5.617 -0.888 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.596 4.129 -2.824 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.799 0.933 5.844 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.880 0.938 7.340 1.00 0.35 C ATOM 1840 C ARG A 184 -3.649 0.235 7.915 1.00 0.31 C ATOM 1841 O ARG A 184 -3.395 -0.922 7.640 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.145 0.208 7.796 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.420 0.546 9.270 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.691 -0.179 9.767 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.559 0.773 10.536 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.058 1.566 11.449 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -6.799 1.480 11.783 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.827 2.429 12.052 1.00 2.61 N ATOM 0 H ARG A 184 -5.154 0.091 5.390 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.915 1.968 7.696 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.993 0.504 7.178 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.022 -0.868 7.674 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.566 0.254 9.881 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.541 1.623 9.385 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.244 -0.584 8.919 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.414 -1.023 10.399 1.00 1.51 H new ATOM 0 HE ARG A 184 -9.560 0.803 10.343 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -6.198 0.791 11.332 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -6.417 2.102 12.495 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -9.817 2.485 11.812 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.439 3.048 12.764 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.878 0.929 8.707 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.656 0.309 9.296 1.00 0.31 C ATOM 1864 C PHE A 185 -2.051 -0.784 10.296 1.00 0.31 C ATOM 1865 O PHE A 185 -2.888 -0.579 11.153 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.843 1.389 10.013 1.00 0.40 C ATOM 1867 CG PHE A 185 0.440 0.801 10.561 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.422 0.070 11.756 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.648 1.000 9.883 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.611 -0.462 12.268 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.837 0.471 10.396 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.819 -0.261 11.587 1.00 0.71 C ATOM 0 H PHE A 185 -3.042 1.900 8.972 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.059 -0.138 8.501 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.614 2.200 9.322 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -1.431 1.818 10.825 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.509 -0.083 12.282 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.662 1.563 8.962 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.597 -1.027 13.188 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.768 0.628 9.872 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.736 -0.672 11.982 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.461 -1.948 10.189 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.807 -3.054 11.123 1.00 0.32 C ATOM 1884 C ASP A 186 -0.628 -4.033 11.237 1.00 0.30 C ATOM 1885 O ASP A 186 -0.636 -5.098 10.651 1.00 0.32 O ATOM 1886 CB ASP A 186 -3.025 -3.781 10.562 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.712 -4.586 11.669 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.178 -4.622 12.764 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.759 -5.151 11.401 1.00 1.23 O ATOM 0 H ASP A 186 -0.753 -2.177 9.492 1.00 0.28 H new ATOM 0 HA ASP A 186 -2.023 -2.655 12.114 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.725 -3.061 10.137 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.721 -4.446 9.753 1.00 0.37 H new ATOM 1894 N SER A 187 0.382 -3.685 11.989 1.00 0.33 N ATOM 1895 CA SER A 187 1.552 -4.600 12.141 1.00 0.34 C ATOM 1896 C SER A 187 1.086 -5.934 12.720 1.00 0.35 C ATOM 1897 O SER A 187 1.850 -6.871 12.832 1.00 0.37 O ATOM 1898 CB SER A 187 2.581 -3.968 13.079 1.00 0.40 C ATOM 1899 OG SER A 187 3.256 -2.923 12.396 1.00 1.32 O ATOM 0 H SER A 187 0.448 -2.807 12.505 1.00 0.33 H new ATOM 0 HA SER A 187 2.008 -4.767 11.165 1.00 0.34 H new ATOM 0 HB2 SER A 187 2.088 -3.578 13.969 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.295 -4.720 13.414 1.00 0.40 H new ATOM 0 HG SER A 187 2.603 -2.266 12.076 1.00 1.32 H new ATOM 1905 N ARG A 188 -0.166 -6.040 13.071 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.661 -7.330 13.614 1.00 0.46 C ATOM 1907 C ARG A 188 -0.460 -8.378 12.525 1.00 0.42 C ATOM 1908 O ARG A 188 -0.278 -9.551 12.784 1.00 0.43 O ATOM 1909 CB ARG A 188 -2.150 -7.199 13.956 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.576 -8.349 14.879 1.00 1.40 C ATOM 1911 CD ARG A 188 -4.058 -8.188 15.284 1.00 1.75 C ATOM 1912 NE ARG A 188 -4.222 -8.468 16.748 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.681 -9.521 17.302 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -3.091 -10.424 16.569 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.764 -9.690 18.594 1.00 3.87 N ATOM 0 H ARG A 188 -0.860 -5.295 13.005 1.00 0.40 H new ATOM 0 HA ARG A 188 -0.126 -7.612 14.521 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.338 -6.242 14.442 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.745 -7.214 13.043 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.432 -9.304 14.373 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.948 -8.362 15.770 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -4.398 -7.177 15.058 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -4.679 -8.870 14.703 1.00 1.75 H new ATOM 0 HE ARG A 188 -4.766 -7.824 17.323 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -3.049 -10.311 15.556 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -2.671 -11.243 17.009 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -4.250 -9.001 19.168 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -3.343 -10.511 19.029 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.465 -7.934 11.299 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.245 -8.849 10.150 1.00 0.46 C ATOM 1931 C LEU A 189 1.185 -9.402 10.249 1.00 0.41 C ATOM 1932 O LEU A 189 1.599 -10.221 9.459 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.436 -8.040 8.833 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.663 -8.545 8.028 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.260 -7.398 7.204 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -1.230 -9.671 7.078 1.00 1.78 C ATOM 0 H LEU A 189 -0.615 -6.958 11.043 1.00 0.43 H new ATOM 0 HA LEU A 189 -0.951 -9.679 10.158 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.564 -6.984 9.069 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.462 -8.123 8.220 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.412 -8.918 8.727 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.120 -7.763 6.643 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.576 -6.596 7.872 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -1.509 -7.019 6.511 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -2.094 -10.024 6.514 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.475 -9.295 6.388 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -0.813 -10.495 7.657 1.00 1.78 H new ATOM 1948 N ALA A 190 1.942 -8.941 11.210 1.00 0.37 N ATOM 1949 CA ALA A 190 3.345 -9.427 11.363 1.00 0.42 C ATOM 1950 C ALA A 190 3.367 -10.732 12.168 1.00 0.44 C ATOM 1951 O ALA A 190 4.406 -11.337 12.341 1.00 0.53 O ATOM 1952 CB ALA A 190 4.174 -8.367 12.092 1.00 0.47 C ATOM 0 H ALA A 190 1.648 -8.247 11.897 1.00 0.37 H new ATOM 0 HA ALA A 190 3.767 -9.611 10.375 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.199 -8.721 12.204 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.170 -7.442 11.515 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.744 -8.182 13.076 1.00 0.47 H new ATOM 1958 N PHE A 191 2.231 -11.165 12.673 1.00 0.42 N ATOM 1959 CA PHE A 191 2.188 -12.432 13.486 1.00 0.51 C ATOM 1960 C PHE A 191 1.420 -13.525 12.732 1.00 0.56 C ATOM 1961 O PHE A 191 1.979 -14.533 12.350 1.00 0.96 O ATOM 1962 CB PHE A 191 1.496 -12.147 14.821 1.00 0.58 C ATOM 1963 CG PHE A 191 2.351 -11.205 15.634 1.00 1.14 C ATOM 1964 CD1 PHE A 191 3.429 -11.704 16.375 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.071 -9.833 15.643 1.00 1.98 C ATOM 1966 CE1 PHE A 191 4.226 -10.831 17.126 1.00 2.75 C ATOM 1967 CE2 PHE A 191 2.867 -8.960 16.394 1.00 2.87 C ATOM 1968 CZ PHE A 191 3.946 -9.459 17.135 1.00 3.15 C ATOM 0 H PHE A 191 1.332 -10.697 12.558 1.00 0.42 H new ATOM 0 HA PHE A 191 3.206 -12.779 13.661 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.514 -11.708 14.648 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.338 -13.077 15.368 1.00 0.58 H new ATOM 0 HD1 PHE A 191 3.646 -12.762 16.367 1.00 1.81 H new ATOM 0 HD2 PHE A 191 1.240 -9.448 15.070 1.00 1.98 H new ATOM 0 HE1 PHE A 191 5.057 -11.216 17.698 1.00 2.75 H new ATOM 0 HE2 PHE A 191 2.649 -7.902 16.402 1.00 2.87 H new ATOM 0 HZ PHE A 191 4.562 -8.786 17.713 1.00 3.15 H new ATOM 1978 N HIS A 192 0.150 -13.333 12.508 1.00 0.64 N ATOM 1979 CA HIS A 192 -0.643 -14.361 11.769 1.00 0.72 C ATOM 1980 C HIS A 192 -1.848 -13.680 11.125 1.00 0.67 C ATOM 1981 O HIS A 192 -2.495 -12.852 11.735 1.00 1.26 O ATOM 1982 CB HIS A 192 -1.119 -15.441 12.742 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.051 -14.831 13.753 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -3.429 -14.918 13.633 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -1.818 -14.126 14.908 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -3.968 -14.280 14.688 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -3.031 -13.778 15.496 1.00 3.35 N ATOM 0 H HIS A 192 -0.375 -12.510 12.804 1.00 0.64 H new ATOM 0 HA HIS A 192 -0.025 -14.825 11.000 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -1.627 -16.237 12.198 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -0.265 -15.894 13.246 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -0.843 -13.879 15.300 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -5.030 -14.185 14.860 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -3.173 -13.253 16.359 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.156 -14.006 9.891 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.322 -13.349 9.222 1.00 0.85 C ATOM 1997 C HIS A 193 -4.045 -14.336 8.296 1.00 0.74 C ATOM 1998 O HIS A 193 -3.563 -15.414 8.012 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.827 -12.129 8.421 1.00 1.28 C ATOM 2000 CG HIS A 193 -3.876 -11.045 8.441 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -4.438 -10.533 7.281 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -4.478 -10.374 9.477 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -5.334 -9.598 7.645 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -5.398 -9.460 8.971 1.00 3.87 N ATOM 0 H HIS A 193 -1.656 -14.691 9.325 1.00 0.77 H new ATOM 0 HA HIS A 193 -4.030 -13.022 9.983 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.896 -11.755 8.848 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -2.612 -12.420 7.393 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -4.213 -10.814 6.327 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -4.269 -10.531 10.525 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -5.930 -9.028 6.948 1.00 3.75 H new ATOM 2012 N MET A 194 -5.209 -13.961 7.832 1.00 0.73 N ATOM 2013 CA MET A 194 -5.994 -14.851 6.929 1.00 0.79 C ATOM 2014 C MET A 194 -5.434 -14.768 5.507 1.00 0.75 C ATOM 2015 O MET A 194 -5.699 -15.614 4.676 1.00 0.90 O ATOM 2016 CB MET A 194 -7.461 -14.400 6.927 1.00 0.91 C ATOM 2017 CG MET A 194 -7.884 -14.034 8.352 1.00 1.47 C ATOM 2018 SD MET A 194 -9.668 -13.732 8.393 1.00 2.35 S ATOM 2019 CE MET A 194 -9.961 -14.310 10.083 1.00 2.94 C ATOM 0 H MET A 194 -5.652 -13.067 8.043 1.00 0.73 H new ATOM 0 HA MET A 194 -5.925 -15.880 7.283 1.00 0.79 H new ATOM 0 HB2 MET A 194 -7.588 -13.542 6.267 1.00 0.91 H new ATOM 0 HB3 MET A 194 -8.097 -15.196 6.541 1.00 0.91 H new ATOM 0 HG2 MET A 194 -7.625 -14.840 9.038 1.00 1.47 H new ATOM 0 HG3 MET A 194 -7.346 -13.147 8.686 1.00 1.47 H new ATOM 0 HE1 MET A 194 -11.020 -14.211 10.323 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.666 -15.356 10.166 1.00 2.94 H new ATOM 0 HE3 MET A 194 -9.374 -13.711 10.779 1.00 2.94 H new ATOM 2029 N ALA A 195 -4.666 -13.754 5.218 1.00 0.66 N ATOM 2030 CA ALA A 195 -4.096 -13.612 3.848 1.00 0.76 C ATOM 2031 C ALA A 195 -3.497 -14.949 3.397 1.00 0.90 C ATOM 2032 O ALA A 195 -3.652 -15.362 2.263 1.00 1.11 O ATOM 2033 CB ALA A 195 -2.998 -12.547 3.861 1.00 0.82 C ATOM 0 H ALA A 195 -4.408 -13.016 5.873 1.00 0.66 H new ATOM 0 HA ALA A 195 -4.887 -13.317 3.158 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -2.581 -12.443 2.860 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -3.420 -11.594 4.180 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -2.210 -12.845 4.553 1.00 0.82 H new