USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 986 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 Single : A 45 LYS NZ :NH3+ -142:sc= 0.0174 (180deg=0) USER MOD Single : A 48 MET CE :methyl -170:sc= -1.52 (180deg=-1.65) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -49:sc= 0.0157 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -102:sc= -0.808 (180deg=-2.28) USER MOD Single : A 75 SER OG : rot 170:sc= -1.56 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.799 F(o=-1.9,f=-0.8) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -113:sc= -0.407 (180deg=-1.64) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.275 F(o=-1.2!,f=-0.28) USER MOD Single : A 96 ASN :FLIP amide:sc=-0.00737 F(o=-1.1,f=-0.0074) USER MOD Single : B 45 LYS NZ :NH3+ -148:sc= 0.0167 (180deg=0) USER MOD Single : B 48 MET CE :methyl -175:sc= -1.57 (180deg=-1.76) USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.17 USER MOD Single : B 62 THR OG1 : rot 180:sc=-0.00198 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 THR OG1 : rot -51:sc= 0.0149 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 LYS NZ :NH3+ 129:sc= -0.819 (180deg=-2.37) USER MOD Single : B 75 SER OG : rot 170:sc= -1.53 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN :FLIP amide:sc= -0.832 F(o=-1.9,f=-0.83) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -107:sc= -0.499 (180deg=-2.01) USER MOD Single : B 93 ASN :FLIP amide:sc= -0.183 F(o=-1.2,f=-0.18) USER MOD Single : B 96 ASN :FLIP amide:sc= -0.0145 F(o=-1.2,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -2.351 -18.131 -7.220 1.00 0.54 N ATOM 358 CA PRO A 43 -2.021 -17.423 -5.964 1.00 0.54 C ATOM 359 C PRO A 43 -2.828 -16.127 -5.834 1.00 0.49 C ATOM 360 O PRO A 43 -3.367 -15.827 -4.786 1.00 0.51 O ATOM 361 CB PRO A 43 -0.537 -17.116 -6.122 1.00 0.60 C ATOM 362 CG PRO A 43 -0.281 -17.081 -7.602 1.00 0.62 C ATOM 363 CD PRO A 43 -1.434 -17.762 -8.301 1.00 0.60 C ATOM 0 HA PRO A 43 -2.251 -18.007 -5.073 1.00 0.54 H new ATOM 0 HB2 PRO A 43 -0.284 -16.162 -5.659 1.00 0.60 H new ATOM 0 HB3 PRO A 43 0.074 -17.878 -5.638 1.00 0.60 H new ATOM 0 HG2 PRO A 43 -0.184 -16.051 -7.946 1.00 0.62 H new ATOM 0 HG3 PRO A 43 0.656 -17.585 -7.837 1.00 0.62 H new ATOM 0 HD2 PRO A 43 -1.913 -17.095 -9.018 1.00 0.60 H new ATOM 0 HD3 PRO A 43 -1.100 -18.639 -8.855 1.00 0.60 H new ATOM 371 N LEU A 44 -2.896 -15.352 -6.890 1.00 0.45 N ATOM 372 CA LEU A 44 -3.647 -14.057 -6.847 1.00 0.42 C ATOM 373 C LEU A 44 -3.117 -13.168 -5.717 1.00 0.40 C ATOM 374 O LEU A 44 -3.785 -12.254 -5.271 1.00 0.54 O ATOM 375 CB LEU A 44 -5.111 -14.429 -6.598 1.00 0.46 C ATOM 376 CG LEU A 44 -5.987 -13.188 -6.811 1.00 0.50 C ATOM 377 CD1 LEU A 44 -7.131 -13.524 -7.771 1.00 0.65 C ATOM 378 CD2 LEU A 44 -6.565 -12.723 -5.468 1.00 0.64 C ATOM 0 H LEU A 44 -2.460 -15.563 -7.787 1.00 0.45 H new ATOM 0 HA LEU A 44 -3.531 -13.496 -7.774 1.00 0.42 H new ATOM 0 HB2 LEU A 44 -5.417 -15.226 -7.276 1.00 0.46 H new ATOM 0 HB3 LEU A 44 -5.236 -14.808 -5.584 1.00 0.46 H new ATOM 0 HG LEU A 44 -5.379 -12.390 -7.237 1.00 0.50 H new ATOM 0 HD11 LEU A 44 -7.752 -12.641 -7.921 1.00 0.65 H new ATOM 0 HD12 LEU A 44 -6.720 -13.845 -8.728 1.00 0.65 H new ATOM 0 HD13 LEU A 44 -7.737 -14.326 -7.349 1.00 0.65 H new ATOM 0 HD21 LEU A 44 -7.186 -11.841 -5.625 1.00 0.64 H new ATOM 0 HD22 LEU A 44 -7.169 -13.521 -5.036 1.00 0.64 H new ATOM 0 HD23 LEU A 44 -5.750 -12.476 -4.787 1.00 0.64 H new ATOM 390 N LYS A 45 -1.918 -13.425 -5.260 1.00 0.39 N ATOM 391 CA LYS A 45 -1.332 -12.593 -4.168 1.00 0.37 C ATOM 392 C LYS A 45 -0.599 -11.395 -4.771 1.00 0.35 C ATOM 393 O LYS A 45 -0.498 -10.352 -4.161 1.00 0.36 O ATOM 394 CB LYS A 45 -0.353 -13.514 -3.434 1.00 0.41 C ATOM 395 CG LYS A 45 0.806 -13.898 -4.360 1.00 0.47 C ATOM 396 CD LYS A 45 1.816 -14.751 -3.589 1.00 0.49 C ATOM 397 CE LYS A 45 1.161 -16.070 -3.172 1.00 0.47 C ATOM 398 NZ LYS A 45 2.281 -16.911 -2.663 1.00 0.48 N ATOM 0 H LYS A 45 -1.318 -14.178 -5.598 1.00 0.39 H new ATOM 0 HA LYS A 45 -2.091 -12.201 -3.492 1.00 0.37 H new ATOM 0 HB2 LYS A 45 0.032 -13.014 -2.545 1.00 0.41 H new ATOM 0 HB3 LYS A 45 -0.871 -14.412 -3.095 1.00 0.41 H new ATOM 0 HG2 LYS A 45 0.430 -14.451 -5.221 1.00 0.47 H new ATOM 0 HG3 LYS A 45 1.291 -13.001 -4.744 1.00 0.47 H new ATOM 0 HD2 LYS A 45 2.690 -14.948 -4.210 1.00 0.49 H new ATOM 0 HD3 LYS A 45 2.165 -14.212 -2.708 1.00 0.49 H new ATOM 0 HE2 LYS A 45 0.406 -15.910 -2.402 1.00 0.47 H new ATOM 0 HE3 LYS A 45 0.661 -16.547 -4.015 1.00 0.47 H new ATOM 0 HZ1 LYS A 45 2.133 -17.899 -2.953 1.00 0.48 H new ATOM 0 HZ2 LYS A 45 3.180 -16.566 -3.056 1.00 0.48 H new ATOM 0 HZ3 LYS A 45 2.313 -16.856 -1.625 1.00 0.48 H new ATOM 412 N LEU A 46 -0.089 -11.562 -5.968 1.00 0.35 N ATOM 413 CA LEU A 46 0.656 -10.470 -6.680 1.00 0.36 C ATOM 414 C LEU A 46 0.143 -9.071 -6.296 1.00 0.34 C ATOM 415 O LEU A 46 0.920 -8.171 -6.019 1.00 0.36 O ATOM 416 CB LEU A 46 0.380 -10.743 -8.166 1.00 0.41 C ATOM 417 CG LEU A 46 1.696 -10.825 -8.946 1.00 0.50 C ATOM 418 CD1 LEU A 46 2.498 -9.535 -8.754 1.00 0.62 C ATOM 419 CD2 LEU A 46 2.510 -12.021 -8.444 1.00 0.56 C ATOM 0 H LEU A 46 -0.159 -12.432 -6.496 1.00 0.35 H new ATOM 0 HA LEU A 46 1.716 -10.474 -6.424 1.00 0.36 H new ATOM 0 HB2 LEU A 46 -0.173 -11.676 -8.274 1.00 0.41 H new ATOM 0 HB3 LEU A 46 -0.246 -9.951 -8.578 1.00 0.41 H new ATOM 0 HG LEU A 46 1.480 -10.952 -10.007 1.00 0.50 H new ATOM 0 HD11 LEU A 46 3.432 -9.601 -9.312 1.00 0.62 H new ATOM 0 HD12 LEU A 46 1.917 -8.688 -9.118 1.00 0.62 H new ATOM 0 HD13 LEU A 46 2.716 -9.397 -7.695 1.00 0.62 H new ATOM 0 HD21 LEU A 46 3.447 -12.081 -8.998 1.00 0.56 H new ATOM 0 HD22 LEU A 46 2.723 -11.896 -7.382 1.00 0.56 H new ATOM 0 HD23 LEU A 46 1.940 -12.938 -8.594 1.00 0.56 H new ATOM 431 N PHE A 47 -1.154 -8.885 -6.267 1.00 0.33 N ATOM 432 CA PHE A 47 -1.712 -7.552 -5.902 1.00 0.32 C ATOM 433 C PHE A 47 -1.488 -7.291 -4.414 1.00 0.32 C ATOM 434 O PHE A 47 -0.912 -6.291 -4.030 1.00 0.36 O ATOM 435 CB PHE A 47 -3.209 -7.642 -6.225 1.00 0.34 C ATOM 436 CG PHE A 47 -3.945 -6.510 -5.545 1.00 0.30 C ATOM 437 CD1 PHE A 47 -3.463 -5.199 -5.647 1.00 0.36 C ATOM 438 CD2 PHE A 47 -5.104 -6.775 -4.805 1.00 0.36 C ATOM 439 CE1 PHE A 47 -4.140 -4.154 -5.011 1.00 0.43 C ATOM 440 CE2 PHE A 47 -5.780 -5.730 -4.167 1.00 0.41 C ATOM 441 CZ PHE A 47 -5.298 -4.419 -4.269 1.00 0.43 C ATOM 0 H PHE A 47 -1.848 -9.601 -6.481 1.00 0.33 H new ATOM 0 HA PHE A 47 -1.237 -6.735 -6.444 1.00 0.32 H new ATOM 0 HB2 PHE A 47 -3.362 -7.593 -7.303 1.00 0.34 H new ATOM 0 HB3 PHE A 47 -3.606 -8.600 -5.890 1.00 0.34 H new ATOM 0 HD1 PHE A 47 -2.568 -4.995 -6.217 1.00 0.36 H new ATOM 0 HD2 PHE A 47 -5.476 -7.786 -4.727 1.00 0.36 H new ATOM 0 HE1 PHE A 47 -3.770 -3.143 -5.092 1.00 0.43 H new ATOM 0 HE2 PHE A 47 -6.674 -5.934 -3.596 1.00 0.41 H new ATOM 0 HZ PHE A 47 -5.819 -3.612 -3.775 1.00 0.43 H new ATOM 451 N MET A 48 -1.940 -8.190 -3.580 1.00 0.34 N ATOM 452 CA MET A 48 -1.758 -8.013 -2.111 1.00 0.36 C ATOM 453 C MET A 48 -0.274 -7.860 -1.786 1.00 0.34 C ATOM 454 O MET A 48 0.117 -6.989 -1.040 1.00 0.38 O ATOM 455 CB MET A 48 -2.321 -9.290 -1.480 1.00 0.40 C ATOM 456 CG MET A 48 -3.475 -8.925 -0.545 1.00 0.45 C ATOM 457 SD MET A 48 -4.956 -9.852 -1.009 1.00 0.49 S ATOM 458 CE MET A 48 -5.302 -8.938 -2.529 1.00 0.46 C ATOM 0 H MET A 48 -2.429 -9.042 -3.855 1.00 0.34 H new ATOM 0 HA MET A 48 -2.262 -7.123 -1.734 1.00 0.36 H new ATOM 0 HB2 MET A 48 -2.669 -9.971 -2.257 1.00 0.40 H new ATOM 0 HB3 MET A 48 -1.540 -9.811 -0.926 1.00 0.40 H new ATOM 0 HG2 MET A 48 -3.204 -9.148 0.487 1.00 0.45 H new ATOM 0 HG3 MET A 48 -3.673 -7.855 -0.598 1.00 0.45 H new ATOM 0 HE1 MET A 48 -6.285 -9.220 -2.907 1.00 0.46 H new ATOM 0 HE2 MET A 48 -5.286 -7.868 -2.322 1.00 0.46 H new ATOM 0 HE3 MET A 48 -4.544 -9.174 -3.276 1.00 0.46 H new ATOM 468 N ALA A 49 0.550 -8.701 -2.351 1.00 0.32 N ATOM 469 CA ALA A 49 2.018 -8.618 -2.091 1.00 0.33 C ATOM 470 C ALA A 49 2.533 -7.204 -2.384 1.00 0.31 C ATOM 471 O ALA A 49 3.318 -6.655 -1.633 1.00 0.34 O ATOM 472 CB ALA A 49 2.644 -9.627 -3.054 1.00 0.38 C ATOM 0 H ALA A 49 0.268 -9.448 -2.986 1.00 0.32 H new ATOM 0 HA ALA A 49 2.266 -8.834 -1.052 1.00 0.33 H new ATOM 0 HB1 ALA A 49 3.727 -9.628 -2.927 1.00 0.38 H new ATOM 0 HB2 ALA A 49 2.253 -10.622 -2.843 1.00 0.38 H new ATOM 0 HB3 ALA A 49 2.400 -9.351 -4.080 1.00 0.38 H new ATOM 478 N LEU A 50 2.102 -6.616 -3.473 1.00 0.31 N ATOM 479 CA LEU A 50 2.575 -5.240 -3.817 1.00 0.33 C ATOM 480 C LEU A 50 1.947 -4.188 -2.893 1.00 0.31 C ATOM 481 O LEU A 50 2.648 -3.414 -2.265 1.00 0.34 O ATOM 482 CB LEU A 50 2.137 -5.013 -5.262 1.00 0.39 C ATOM 483 CG LEU A 50 3.218 -4.218 -5.994 1.00 0.61 C ATOM 484 CD1 LEU A 50 4.417 -5.125 -6.275 1.00 0.86 C ATOM 485 CD2 LEU A 50 2.657 -3.691 -7.315 1.00 0.92 C ATOM 0 H LEU A 50 1.445 -7.028 -4.136 1.00 0.31 H new ATOM 0 HA LEU A 50 3.654 -5.148 -3.695 1.00 0.33 H new ATOM 0 HB2 LEU A 50 1.972 -5.969 -5.759 1.00 0.39 H new ATOM 0 HB3 LEU A 50 1.191 -4.473 -5.287 1.00 0.39 H new ATOM 0 HG LEU A 50 3.535 -3.380 -5.373 1.00 0.61 H new ATOM 0 HD11 LEU A 50 5.188 -4.558 -6.797 1.00 0.86 H new ATOM 0 HD12 LEU A 50 4.818 -5.500 -5.333 1.00 0.86 H new ATOM 0 HD13 LEU A 50 4.101 -5.964 -6.895 1.00 0.86 H new ATOM 0 HD21 LEU A 50 3.428 -3.124 -7.837 1.00 0.92 H new ATOM 0 HD22 LEU A 50 2.340 -4.529 -7.936 1.00 0.92 H new ATOM 0 HD23 LEU A 50 1.803 -3.044 -7.115 1.00 0.92 H new ATOM 497 N VAL A 51 0.639 -4.139 -2.809 1.00 0.31 N ATOM 498 CA VAL A 51 -0.014 -3.122 -1.933 1.00 0.32 C ATOM 499 C VAL A 51 0.421 -3.325 -0.472 1.00 0.29 C ATOM 500 O VAL A 51 0.709 -2.372 0.226 1.00 0.33 O ATOM 501 CB VAL A 51 -1.525 -3.340 -2.121 1.00 0.36 C ATOM 502 CG1 VAL A 51 -2.296 -2.762 -0.936 1.00 0.45 C ATOM 503 CG2 VAL A 51 -1.979 -2.640 -3.406 1.00 0.51 C ATOM 0 H VAL A 51 -0.000 -4.758 -3.308 1.00 0.31 H new ATOM 0 HA VAL A 51 0.266 -2.101 -2.191 1.00 0.32 H new ATOM 0 HB VAL A 51 -1.723 -4.410 -2.186 1.00 0.36 H new ATOM 0 HG11 VAL A 51 -3.364 -2.924 -1.083 1.00 0.45 H new ATOM 0 HG12 VAL A 51 -1.977 -3.256 -0.018 1.00 0.45 H new ATOM 0 HG13 VAL A 51 -2.098 -1.693 -0.860 1.00 0.45 H new ATOM 0 HG21 VAL A 51 -3.050 -2.791 -3.544 1.00 0.51 H new ATOM 0 HG22 VAL A 51 -1.770 -1.573 -3.332 1.00 0.51 H new ATOM 0 HG23 VAL A 51 -1.441 -3.057 -4.257 1.00 0.51 H new ATOM 513 N ALA A 52 0.480 -4.552 -0.009 1.00 0.29 N ATOM 514 CA ALA A 52 0.906 -4.799 1.405 1.00 0.29 C ATOM 515 C ALA A 52 2.329 -4.280 1.619 1.00 0.28 C ATOM 516 O ALA A 52 2.608 -3.609 2.596 1.00 0.33 O ATOM 517 CB ALA A 52 0.852 -6.315 1.600 1.00 0.33 C ATOM 0 H ALA A 52 0.253 -5.389 -0.546 1.00 0.29 H new ATOM 0 HA ALA A 52 0.262 -4.285 2.119 1.00 0.29 H new ATOM 0 HB1 ALA A 52 1.153 -6.562 2.618 1.00 0.33 H new ATOM 0 HB2 ALA A 52 -0.165 -6.668 1.427 1.00 0.33 H new ATOM 0 HB3 ALA A 52 1.529 -6.797 0.894 1.00 0.33 H new ATOM 523 N PHE A 53 3.226 -4.571 0.702 1.00 0.25 N ATOM 524 CA PHE A 53 4.633 -4.075 0.835 1.00 0.26 C ATOM 525 C PHE A 53 4.600 -2.563 1.076 1.00 0.27 C ATOM 526 O PHE A 53 5.105 -2.060 2.067 1.00 0.30 O ATOM 527 CB PHE A 53 5.296 -4.411 -0.508 1.00 0.29 C ATOM 528 CG PHE A 53 6.597 -3.655 -0.656 1.00 0.30 C ATOM 529 CD1 PHE A 53 7.713 -4.019 0.107 1.00 0.33 C ATOM 530 CD2 PHE A 53 6.685 -2.591 -1.561 1.00 0.43 C ATOM 531 CE1 PHE A 53 8.916 -3.317 -0.035 1.00 0.36 C ATOM 532 CE2 PHE A 53 7.887 -1.890 -1.704 1.00 0.48 C ATOM 533 CZ PHE A 53 9.003 -2.252 -0.941 1.00 0.39 C ATOM 0 H PHE A 53 3.043 -5.130 -0.131 1.00 0.25 H new ATOM 0 HA PHE A 53 5.178 -4.525 1.665 1.00 0.26 H new ATOM 0 HB2 PHE A 53 5.482 -5.483 -0.571 1.00 0.29 H new ATOM 0 HB3 PHE A 53 4.624 -4.155 -1.327 1.00 0.29 H new ATOM 0 HD1 PHE A 53 7.646 -4.841 0.805 1.00 0.33 H new ATOM 0 HD2 PHE A 53 5.824 -2.311 -2.150 1.00 0.43 H new ATOM 0 HE1 PHE A 53 9.777 -3.597 0.554 1.00 0.36 H new ATOM 0 HE2 PHE A 53 7.954 -1.070 -2.403 1.00 0.48 H new ATOM 0 HZ PHE A 53 9.931 -1.710 -1.051 1.00 0.39 H new ATOM 543 N LEU A 54 3.968 -1.841 0.191 1.00 0.28 N ATOM 544 CA LEU A 54 3.858 -0.370 0.377 1.00 0.31 C ATOM 545 C LEU A 54 3.119 -0.101 1.690 1.00 0.31 C ATOM 546 O LEU A 54 3.450 0.808 2.424 1.00 0.34 O ATOM 547 CB LEU A 54 3.050 0.130 -0.823 1.00 0.34 C ATOM 548 CG LEU A 54 3.780 -0.230 -2.120 1.00 0.39 C ATOM 549 CD1 LEU A 54 2.812 -0.117 -3.298 1.00 0.48 C ATOM 550 CD2 LEU A 54 4.953 0.731 -2.328 1.00 0.46 C ATOM 0 H LEU A 54 3.524 -2.208 -0.651 1.00 0.28 H new ATOM 0 HA LEU A 54 4.824 0.132 0.430 1.00 0.31 H new ATOM 0 HB2 LEU A 54 2.056 -0.318 -0.817 1.00 0.34 H new ATOM 0 HB3 LEU A 54 2.914 1.210 -0.758 1.00 0.34 H new ATOM 0 HG LEU A 54 4.155 -1.252 -2.055 1.00 0.39 H new ATOM 0 HD11 LEU A 54 3.331 -0.373 -4.221 1.00 0.48 H new ATOM 0 HD12 LEU A 54 1.977 -0.801 -3.150 1.00 0.48 H new ATOM 0 HD13 LEU A 54 2.437 0.904 -3.364 1.00 0.48 H new ATOM 0 HD21 LEU A 54 5.473 0.476 -3.251 1.00 0.46 H new ATOM 0 HD22 LEU A 54 4.579 1.753 -2.393 1.00 0.46 H new ATOM 0 HD23 LEU A 54 5.643 0.650 -1.488 1.00 0.46 H new ATOM 562 N ARG A 55 2.133 -0.913 1.995 1.00 0.29 N ATOM 563 CA ARG A 55 1.368 -0.740 3.268 1.00 0.31 C ATOM 564 C ARG A 55 2.265 -1.038 4.475 1.00 0.30 C ATOM 565 O ARG A 55 1.911 -0.758 5.605 1.00 0.35 O ATOM 566 CB ARG A 55 0.221 -1.750 3.193 1.00 0.33 C ATOM 567 CG ARG A 55 -0.851 -1.388 4.225 1.00 0.36 C ATOM 568 CD ARG A 55 -0.745 -2.328 5.429 1.00 0.38 C ATOM 569 NE ARG A 55 -1.533 -1.664 6.505 1.00 0.40 N ATOM 570 CZ ARG A 55 -1.382 -2.034 7.748 1.00 0.43 C ATOM 571 NH1 ARG A 55 -1.772 -3.221 8.127 1.00 0.50 N ATOM 572 NH2 ARG A 55 -0.842 -1.218 8.611 1.00 0.45 N ATOM 0 H ARG A 55 1.825 -1.692 1.412 1.00 0.29 H new ATOM 0 HA ARG A 55 1.003 0.280 3.387 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -0.210 -1.752 2.192 1.00 0.33 H new ATOM 0 HB3 ARG A 55 0.596 -2.756 3.381 1.00 0.33 H new ATOM 0 HG2 ARG A 55 -0.726 -0.354 4.546 1.00 0.36 H new ATOM 0 HG3 ARG A 55 -1.842 -1.465 3.777 1.00 0.36 H new ATOM 0 HD2 ARG A 55 -1.147 -3.314 5.197 1.00 0.38 H new ATOM 0 HD3 ARG A 55 0.293 -2.469 5.730 1.00 0.38 H new ATOM 0 HE ARG A 55 -2.191 -0.920 6.271 1.00 0.40 H new ATOM 0 HH11 ARG A 55 -2.194 -3.859 7.452 1.00 0.50 H new ATOM 0 HH12 ARG A 55 -1.654 -3.511 9.098 1.00 0.50 H new ATOM 0 HH21 ARG A 55 -0.538 -0.291 8.315 1.00 0.45 H new ATOM 0 HH22 ARG A 55 -0.724 -1.507 9.582 1.00 0.45 H new ATOM 586 N PHE A 56 3.422 -1.602 4.248 1.00 0.28 N ATOM 587 CA PHE A 56 4.335 -1.909 5.384 1.00 0.29 C ATOM 588 C PHE A 56 5.396 -0.816 5.515 1.00 0.31 C ATOM 589 O PHE A 56 5.996 -0.652 6.561 1.00 0.33 O ATOM 590 CB PHE A 56 4.987 -3.246 5.023 1.00 0.30 C ATOM 591 CG PHE A 56 4.131 -4.387 5.525 1.00 0.30 C ATOM 592 CD1 PHE A 56 2.736 -4.348 5.376 1.00 0.35 C ATOM 593 CD2 PHE A 56 4.735 -5.487 6.140 1.00 0.44 C ATOM 594 CE1 PHE A 56 1.952 -5.409 5.841 1.00 0.41 C ATOM 595 CE2 PHE A 56 3.949 -6.548 6.605 1.00 0.53 C ATOM 596 CZ PHE A 56 2.558 -6.509 6.456 1.00 0.48 C ATOM 0 H PHE A 56 3.772 -1.862 3.326 1.00 0.28 H new ATOM 0 HA PHE A 56 3.806 -1.959 6.336 1.00 0.29 H new ATOM 0 HB2 PHE A 56 5.111 -3.320 3.943 1.00 0.30 H new ATOM 0 HB3 PHE A 56 5.983 -3.306 5.463 1.00 0.30 H new ATOM 0 HD1 PHE A 56 2.268 -3.498 4.902 1.00 0.35 H new ATOM 0 HD2 PHE A 56 5.808 -5.519 6.257 1.00 0.44 H new ATOM 0 HE1 PHE A 56 0.879 -5.379 5.725 1.00 0.41 H new ATOM 0 HE2 PHE A 56 4.417 -7.398 7.079 1.00 0.53 H new ATOM 0 HZ PHE A 56 1.953 -7.328 6.816 1.00 0.48 H new ATOM 606 N LEU A 57 5.649 -0.080 4.458 1.00 0.32 N ATOM 607 CA LEU A 57 6.697 0.987 4.528 1.00 0.35 C ATOM 608 C LEU A 57 6.083 2.394 4.605 1.00 0.41 C ATOM 609 O LEU A 57 6.593 3.249 5.303 1.00 0.51 O ATOM 610 CB LEU A 57 7.512 0.831 3.240 1.00 0.40 C ATOM 611 CG LEU A 57 7.828 -0.650 2.997 1.00 0.36 C ATOM 612 CD1 LEU A 57 8.697 -0.792 1.744 1.00 0.44 C ATOM 613 CD2 LEU A 57 8.570 -1.233 4.207 1.00 0.40 C ATOM 0 H LEU A 57 5.179 -0.171 3.557 1.00 0.32 H new ATOM 0 HA LEU A 57 7.306 0.879 5.426 1.00 0.35 H new ATOM 0 HB2 LEU A 57 6.954 1.236 2.395 1.00 0.40 H new ATOM 0 HB3 LEU A 57 8.438 1.402 3.314 1.00 0.40 H new ATOM 0 HG LEU A 57 6.895 -1.195 2.855 1.00 0.36 H new ATOM 0 HD11 LEU A 57 8.920 -1.845 1.573 1.00 0.44 H new ATOM 0 HD12 LEU A 57 8.163 -0.390 0.883 1.00 0.44 H new ATOM 0 HD13 LEU A 57 9.628 -0.242 1.882 1.00 0.44 H new ATOM 0 HD21 LEU A 57 8.791 -2.285 4.026 1.00 0.40 H new ATOM 0 HD22 LEU A 57 9.501 -0.688 4.360 1.00 0.40 H new ATOM 0 HD23 LEU A 57 7.946 -1.141 5.096 1.00 0.40 H new ATOM 625 N THR A 58 5.017 2.656 3.884 1.00 0.43 N ATOM 626 CA THR A 58 4.419 4.031 3.923 1.00 0.53 C ATOM 627 C THR A 58 2.886 4.007 3.795 1.00 0.47 C ATOM 628 O THR A 58 2.236 5.021 3.973 1.00 0.52 O ATOM 629 CB THR A 58 5.038 4.746 2.722 1.00 0.62 C ATOM 630 OG1 THR A 58 6.453 4.735 2.844 1.00 0.90 O ATOM 631 CG2 THR A 58 4.540 6.189 2.673 1.00 0.76 C ATOM 0 H THR A 58 4.541 1.988 3.278 1.00 0.43 H new ATOM 0 HA THR A 58 4.624 4.524 4.873 1.00 0.53 H new ATOM 0 HB THR A 58 4.748 4.233 1.805 1.00 0.62 H new ATOM 0 HG1 THR A 58 6.851 5.192 2.074 1.00 0.90 H new ATOM 0 HG21 THR A 58 4.982 6.698 1.816 1.00 0.76 H new ATOM 0 HG22 THR A 58 3.454 6.196 2.579 1.00 0.76 H new ATOM 0 HG23 THR A 58 4.828 6.705 3.589 1.00 0.76 H new ATOM 639 N ILE A 59 2.308 2.874 3.487 1.00 0.43 N ATOM 640 CA ILE A 59 0.819 2.782 3.342 1.00 0.41 C ATOM 641 C ILE A 59 0.286 3.840 2.358 1.00 0.42 C ATOM 642 O ILE A 59 -0.472 4.713 2.738 1.00 0.48 O ATOM 643 CB ILE A 59 0.255 3.008 4.752 1.00 0.46 C ATOM 644 CG1 ILE A 59 0.716 1.879 5.676 1.00 0.45 C ATOM 645 CG2 ILE A 59 -1.279 3.015 4.697 1.00 0.50 C ATOM 646 CD1 ILE A 59 2.141 2.155 6.163 1.00 0.48 C ATOM 0 H ILE A 59 2.807 1.999 3.328 1.00 0.43 H new ATOM 0 HA ILE A 59 0.517 1.816 2.936 1.00 0.41 H new ATOM 0 HB ILE A 59 0.614 3.964 5.132 1.00 0.46 H new ATOM 0 HG12 ILE A 59 0.041 1.795 6.528 1.00 0.45 H new ATOM 0 HG13 ILE A 59 0.681 0.927 5.147 1.00 0.45 H new ATOM 0 HG21 ILE A 59 -1.678 3.175 5.698 1.00 0.50 H new ATOM 0 HG22 ILE A 59 -1.616 3.816 4.039 1.00 0.50 H new ATOM 0 HG23 ILE A 59 -1.634 2.058 4.314 1.00 0.50 H new ATOM 0 HD11 ILE A 59 2.464 1.348 6.820 1.00 0.48 H new ATOM 0 HD12 ILE A 59 2.813 2.216 5.307 1.00 0.48 H new ATOM 0 HD13 ILE A 59 2.163 3.098 6.709 1.00 0.48 H new ATOM 658 N PRO A 60 0.691 3.720 1.115 1.00 0.41 N ATOM 659 CA PRO A 60 0.242 4.634 0.050 1.00 0.45 C ATOM 660 C PRO A 60 -0.801 3.940 -0.864 1.00 0.39 C ATOM 661 O PRO A 60 -0.568 3.802 -2.051 1.00 0.44 O ATOM 662 CB PRO A 60 1.545 4.847 -0.722 1.00 0.53 C ATOM 663 CG PRO A 60 2.375 3.608 -0.456 1.00 0.52 C ATOM 664 CD PRO A 60 1.637 2.766 0.564 1.00 0.43 C ATOM 0 HA PRO A 60 -0.233 5.545 0.414 1.00 0.45 H new ATOM 0 HB2 PRO A 60 1.355 4.971 -1.788 1.00 0.53 H new ATOM 0 HB3 PRO A 60 2.060 5.746 -0.383 1.00 0.53 H new ATOM 0 HG2 PRO A 60 2.528 3.045 -1.377 1.00 0.52 H new ATOM 0 HG3 PRO A 60 3.362 3.882 -0.083 1.00 0.52 H new ATOM 0 HD2 PRO A 60 1.136 1.914 0.104 1.00 0.43 H new ATOM 0 HD3 PRO A 60 2.307 2.369 1.327 1.00 0.43 H new ATOM 672 N PRO A 61 -1.916 3.512 -0.303 1.00 0.35 N ATOM 673 CA PRO A 61 -2.946 2.829 -1.125 1.00 0.33 C ATOM 674 C PRO A 61 -3.652 3.837 -2.033 1.00 0.33 C ATOM 675 O PRO A 61 -4.478 4.614 -1.591 1.00 0.38 O ATOM 676 CB PRO A 61 -3.909 2.246 -0.099 1.00 0.35 C ATOM 677 CG PRO A 61 -3.746 3.102 1.110 1.00 0.38 C ATOM 678 CD PRO A 61 -2.329 3.615 1.102 1.00 0.40 C ATOM 0 HA PRO A 61 -2.531 2.065 -1.782 1.00 0.33 H new ATOM 0 HB2 PRO A 61 -4.936 2.269 -0.464 1.00 0.35 H new ATOM 0 HB3 PRO A 61 -3.671 1.205 0.119 1.00 0.35 H new ATOM 0 HG2 PRO A 61 -4.455 3.929 1.095 1.00 0.38 H new ATOM 0 HG3 PRO A 61 -3.943 2.530 2.017 1.00 0.38 H new ATOM 0 HD2 PRO A 61 -2.276 4.644 1.458 1.00 0.40 H new ATOM 0 HD3 PRO A 61 -1.686 3.020 1.751 1.00 0.40 H new ATOM 686 N THR A 62 -3.324 3.830 -3.299 1.00 0.31 N ATOM 687 CA THR A 62 -3.958 4.784 -4.254 1.00 0.31 C ATOM 688 C THR A 62 -5.485 4.616 -4.248 1.00 0.30 C ATOM 689 O THR A 62 -6.012 3.720 -3.618 1.00 0.32 O ATOM 690 CB THR A 62 -3.351 4.428 -5.617 1.00 0.33 C ATOM 691 OG1 THR A 62 -3.714 5.415 -6.563 1.00 0.38 O ATOM 692 CG2 THR A 62 -3.851 3.059 -6.091 1.00 0.35 C ATOM 0 H THR A 62 -2.639 3.199 -3.714 1.00 0.31 H new ATOM 0 HA THR A 62 -3.774 5.827 -3.994 1.00 0.31 H new ATOM 0 HB THR A 62 -2.266 4.387 -5.518 1.00 0.33 H new ATOM 0 HG1 THR A 62 -3.326 5.191 -7.435 1.00 0.38 H new ATOM 0 HG21 THR A 62 -3.409 2.825 -7.059 1.00 0.35 H new ATOM 0 HG22 THR A 62 -3.564 2.296 -5.367 1.00 0.35 H new ATOM 0 HG23 THR A 62 -4.937 3.080 -6.184 1.00 0.35 H new ATOM 700 N ALA A 63 -6.191 5.480 -4.936 1.00 0.33 N ATOM 701 CA ALA A 63 -7.687 5.392 -4.967 1.00 0.35 C ATOM 702 C ALA A 63 -8.152 4.008 -5.433 1.00 0.32 C ATOM 703 O ALA A 63 -9.245 3.578 -5.117 1.00 0.36 O ATOM 704 CB ALA A 63 -8.129 6.460 -5.967 1.00 0.40 C ATOM 0 H ALA A 63 -5.795 6.246 -5.480 1.00 0.33 H new ATOM 0 HA ALA A 63 -8.115 5.546 -3.977 1.00 0.35 H new ATOM 0 HB1 ALA A 63 -9.216 6.458 -6.045 1.00 0.40 H new ATOM 0 HB2 ALA A 63 -7.792 7.439 -5.626 1.00 0.40 H new ATOM 0 HB3 ALA A 63 -7.695 6.246 -6.944 1.00 0.40 H new ATOM 710 N GLY A 64 -7.340 3.318 -6.190 1.00 0.31 N ATOM 711 CA GLY A 64 -7.744 1.970 -6.688 1.00 0.31 C ATOM 712 C GLY A 64 -7.750 0.957 -5.543 1.00 0.27 C ATOM 713 O GLY A 64 -8.688 0.213 -5.379 1.00 0.28 O ATOM 0 H GLY A 64 -6.415 3.630 -6.485 1.00 0.31 H new ATOM 0 HA2 GLY A 64 -8.735 2.024 -7.139 1.00 0.31 H new ATOM 0 HA3 GLY A 64 -7.056 1.643 -7.468 1.00 0.31 H new ATOM 717 N ILE A 65 -6.701 0.916 -4.766 1.00 0.27 N ATOM 718 CA ILE A 65 -6.621 -0.060 -3.632 1.00 0.26 C ATOM 719 C ILE A 65 -7.890 -0.006 -2.775 1.00 0.27 C ATOM 720 O ILE A 65 -8.393 -1.026 -2.349 1.00 0.31 O ATOM 721 CB ILE A 65 -5.390 0.365 -2.815 1.00 0.26 C ATOM 722 CG1 ILE A 65 -4.153 0.462 -3.723 1.00 0.29 C ATOM 723 CG2 ILE A 65 -5.121 -0.668 -1.718 1.00 0.29 C ATOM 724 CD1 ILE A 65 -4.155 -0.683 -4.741 1.00 0.31 C ATOM 0 H ILE A 65 -5.886 1.522 -4.867 1.00 0.27 H new ATOM 0 HA ILE A 65 -6.535 -1.087 -3.988 1.00 0.26 H new ATOM 0 HB ILE A 65 -5.587 1.340 -2.370 1.00 0.26 H new ATOM 0 HG12 ILE A 65 -4.148 1.420 -4.242 1.00 0.29 H new ATOM 0 HG13 ILE A 65 -3.246 0.421 -3.120 1.00 0.29 H new ATOM 0 HG21 ILE A 65 -4.248 -0.366 -1.140 1.00 0.29 H new ATOM 0 HG22 ILE A 65 -5.987 -0.734 -1.060 1.00 0.29 H new ATOM 0 HG23 ILE A 65 -4.936 -1.641 -2.172 1.00 0.29 H new ATOM 0 HD11 ILE A 65 -3.275 -0.604 -5.379 1.00 0.31 H new ATOM 0 HD12 ILE A 65 -4.138 -1.638 -4.215 1.00 0.31 H new ATOM 0 HD13 ILE A 65 -5.054 -0.623 -5.355 1.00 0.31 H new ATOM 736 N LEU A 66 -8.416 1.169 -2.529 1.00 0.28 N ATOM 737 CA LEU A 66 -9.660 1.272 -1.703 1.00 0.32 C ATOM 738 C LEU A 66 -10.890 0.951 -2.557 1.00 0.32 C ATOM 739 O LEU A 66 -11.686 0.099 -2.211 1.00 0.36 O ATOM 740 CB LEU A 66 -9.720 2.725 -1.212 1.00 0.36 C ATOM 741 CG LEU A 66 -8.571 3.032 -0.235 1.00 0.40 C ATOM 742 CD1 LEU A 66 -8.235 1.802 0.618 1.00 0.53 C ATOM 743 CD2 LEU A 66 -7.334 3.457 -1.028 1.00 0.39 C ATOM 0 H LEU A 66 -8.040 2.057 -2.862 1.00 0.28 H new ATOM 0 HA LEU A 66 -9.648 0.568 -0.871 1.00 0.32 H new ATOM 0 HB2 LEU A 66 -9.666 3.402 -2.065 1.00 0.36 H new ATOM 0 HB3 LEU A 66 -10.676 2.906 -0.721 1.00 0.36 H new ATOM 0 HG LEU A 66 -8.884 3.837 0.430 1.00 0.40 H new ATOM 0 HD11 LEU A 66 -7.420 2.044 1.300 1.00 0.53 H new ATOM 0 HD12 LEU A 66 -9.113 1.506 1.192 1.00 0.53 H new ATOM 0 HD13 LEU A 66 -7.932 0.980 -0.031 1.00 0.53 H new ATOM 0 HD21 LEU A 66 -6.518 3.675 -0.339 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -7.037 2.651 -1.699 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -7.565 4.348 -1.612 1.00 0.39 H new ATOM 755 N LYS A 67 -11.048 1.630 -3.668 1.00 0.33 N ATOM 756 CA LYS A 67 -12.227 1.369 -4.553 1.00 0.35 C ATOM 757 C LYS A 67 -12.271 -0.109 -4.942 1.00 0.35 C ATOM 758 O LYS A 67 -13.327 -0.699 -5.068 1.00 0.41 O ATOM 759 CB LYS A 67 -11.997 2.238 -5.790 1.00 0.37 C ATOM 760 CG LYS A 67 -12.480 3.662 -5.512 1.00 0.48 C ATOM 761 CD LYS A 67 -14.009 3.700 -5.563 1.00 0.62 C ATOM 762 CE LYS A 67 -14.484 3.412 -6.991 1.00 0.82 C ATOM 763 NZ LYS A 67 -15.438 2.275 -6.858 1.00 1.16 N ATOM 0 H LYS A 67 -10.411 2.354 -4.000 1.00 0.33 H new ATOM 0 HA LYS A 67 -13.172 1.602 -4.062 1.00 0.35 H new ATOM 0 HB2 LYS A 67 -10.938 2.246 -6.050 1.00 0.37 H new ATOM 0 HB3 LYS A 67 -12.531 1.822 -6.644 1.00 0.37 H new ATOM 0 HG2 LYS A 67 -12.130 3.992 -4.534 1.00 0.48 H new ATOM 0 HG3 LYS A 67 -12.064 4.349 -6.248 1.00 0.48 H new ATOM 0 HD2 LYS A 67 -14.424 2.963 -4.876 1.00 0.62 H new ATOM 0 HD3 LYS A 67 -14.369 4.676 -5.239 1.00 0.62 H new ATOM 0 HE2 LYS A 67 -14.968 4.285 -7.429 1.00 0.82 H new ATOM 0 HE3 LYS A 67 -13.648 3.152 -7.640 1.00 0.82 H new ATOM 0 HZ1 LYS A 67 -15.807 2.020 -7.796 1.00 1.16 H new ATOM 0 HZ2 LYS A 67 -14.947 1.457 -6.444 1.00 1.16 H new ATOM 0 HZ3 LYS A 67 -16.227 2.554 -6.240 1.00 1.16 H new ATOM 777 N ARG A 68 -11.123 -0.703 -5.123 1.00 0.30 N ATOM 778 CA ARG A 68 -11.064 -2.142 -5.495 1.00 0.31 C ATOM 779 C ARG A 68 -11.159 -3.005 -4.228 1.00 0.29 C ATOM 780 O ARG A 68 -11.557 -4.152 -4.275 1.00 0.32 O ATOM 781 CB ARG A 68 -9.716 -2.308 -6.222 1.00 0.30 C ATOM 782 CG ARG A 68 -8.595 -2.645 -5.237 1.00 0.28 C ATOM 783 CD ARG A 68 -7.257 -2.630 -5.982 1.00 0.31 C ATOM 784 NE ARG A 68 -7.192 -3.948 -6.675 1.00 0.36 N ATOM 785 CZ ARG A 68 -7.706 -4.085 -7.867 1.00 0.36 C ATOM 786 NH1 ARG A 68 -7.479 -3.184 -8.784 1.00 0.37 N ATOM 787 NH2 ARG A 68 -8.447 -5.123 -8.142 1.00 0.43 N ATOM 0 H ARG A 68 -10.216 -0.247 -5.028 1.00 0.30 H new ATOM 0 HA ARG A 68 -11.887 -2.459 -6.136 1.00 0.31 H new ATOM 0 HB2 ARG A 68 -9.797 -3.098 -6.969 1.00 0.30 H new ATOM 0 HB3 ARG A 68 -9.472 -1.389 -6.755 1.00 0.30 H new ATOM 0 HG2 ARG A 68 -8.580 -1.922 -4.421 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -8.767 -3.625 -4.791 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -7.210 -1.806 -6.694 1.00 0.31 H new ATOM 0 HD3 ARG A 68 -6.422 -2.504 -5.293 1.00 0.31 H new ATOM 0 HE ARG A 68 -6.746 -4.743 -6.218 1.00 0.36 H new ATOM 0 HH11 ARG A 68 -6.900 -2.372 -8.569 1.00 0.37 H new ATOM 0 HH12 ARG A 68 -7.881 -3.292 -9.715 1.00 0.37 H new ATOM 0 HH21 ARG A 68 -8.625 -5.827 -7.426 1.00 0.43 H new ATOM 0 HH22 ARG A 68 -8.849 -5.230 -9.073 1.00 0.43 H new ATOM 801 N TRP A 69 -10.802 -2.443 -3.098 1.00 0.27 N ATOM 802 CA TRP A 69 -10.871 -3.194 -1.805 1.00 0.26 C ATOM 803 C TRP A 69 -12.261 -3.807 -1.596 1.00 0.29 C ATOM 804 O TRP A 69 -12.393 -4.884 -1.048 1.00 0.32 O ATOM 805 CB TRP A 69 -10.623 -2.130 -0.739 1.00 0.27 C ATOM 806 CG TRP A 69 -10.007 -2.739 0.476 1.00 0.25 C ATOM 807 CD1 TRP A 69 -10.523 -2.642 1.721 1.00 0.29 C ATOM 808 CD2 TRP A 69 -8.777 -3.516 0.601 1.00 0.24 C ATOM 809 NE1 TRP A 69 -9.693 -3.304 2.602 1.00 0.28 N ATOM 810 CE2 TRP A 69 -8.605 -3.857 1.965 1.00 0.25 C ATOM 811 CE3 TRP A 69 -7.801 -3.955 -0.318 1.00 0.27 C ATOM 812 CZ2 TRP A 69 -7.510 -4.599 2.401 1.00 0.27 C ATOM 813 CZ3 TRP A 69 -6.699 -4.703 0.124 1.00 0.31 C ATOM 814 CH2 TRP A 69 -6.556 -5.021 1.481 1.00 0.30 C ATOM 0 H TRP A 69 -10.462 -1.485 -3.016 1.00 0.27 H new ATOM 0 HA TRP A 69 -10.154 -4.015 -1.775 1.00 0.26 H new ATOM 0 HB2 TRP A 69 -9.968 -1.355 -1.136 1.00 0.27 H new ATOM 0 HB3 TRP A 69 -11.563 -1.647 -0.474 1.00 0.27 H new ATOM 0 HD1 TRP A 69 -11.437 -2.130 1.984 1.00 0.29 H new ATOM 0 HE1 TRP A 69 -9.865 -3.375 3.605 1.00 0.28 H new ATOM 0 HE3 TRP A 69 -7.902 -3.714 -1.366 1.00 0.27 H new ATOM 0 HZ2 TRP A 69 -7.402 -4.845 3.447 1.00 0.27 H new ATOM 0 HZ3 TRP A 69 -5.957 -5.036 -0.586 1.00 0.31 H new ATOM 0 HH2 TRP A 69 -5.704 -5.595 1.813 1.00 0.30 H new ATOM 825 N GLY A 70 -13.297 -3.113 -2.005 1.00 0.31 N ATOM 826 CA GLY A 70 -14.682 -3.637 -1.805 1.00 0.36 C ATOM 827 C GLY A 70 -15.315 -4.024 -3.144 1.00 0.38 C ATOM 828 O GLY A 70 -16.456 -3.696 -3.412 1.00 0.47 O ATOM 0 H GLY A 70 -13.241 -2.206 -2.469 1.00 0.31 H new ATOM 0 HA2 GLY A 70 -14.656 -4.505 -1.146 1.00 0.36 H new ATOM 0 HA3 GLY A 70 -15.294 -2.881 -1.313 1.00 0.36 H new ATOM 832 N THR A 71 -14.595 -4.731 -3.976 1.00 0.37 N ATOM 833 CA THR A 71 -15.171 -5.152 -5.289 1.00 0.43 C ATOM 834 C THR A 71 -14.312 -6.254 -5.921 1.00 0.44 C ATOM 835 O THR A 71 -14.272 -6.404 -7.128 1.00 0.68 O ATOM 836 CB THR A 71 -15.190 -3.884 -6.155 1.00 0.53 C ATOM 837 OG1 THR A 71 -16.132 -4.049 -7.205 1.00 0.68 O ATOM 838 CG2 THR A 71 -13.806 -3.624 -6.752 1.00 0.63 C ATOM 0 H THR A 71 -13.636 -5.034 -3.804 1.00 0.37 H new ATOM 0 HA THR A 71 -16.173 -5.569 -5.184 1.00 0.43 H new ATOM 0 HB THR A 71 -15.470 -3.034 -5.532 1.00 0.53 H new ATOM 0 HG1 THR A 71 -15.981 -4.910 -7.648 1.00 0.68 H new ATOM 0 HG21 THR A 71 -13.837 -2.722 -7.363 1.00 0.63 H new ATOM 0 HG22 THR A 71 -13.082 -3.493 -5.948 1.00 0.63 H new ATOM 0 HG23 THR A 71 -13.512 -4.471 -7.371 1.00 0.63 H new ATOM 846 N ILE A 72 -13.635 -7.029 -5.110 1.00 0.36 N ATOM 847 CA ILE A 72 -12.785 -8.130 -5.651 1.00 0.37 C ATOM 848 C ILE A 72 -13.407 -9.489 -5.294 1.00 0.37 C ATOM 849 O ILE A 72 -14.567 -9.729 -5.572 1.00 0.50 O ATOM 850 CB ILE A 72 -11.409 -7.941 -4.998 1.00 0.37 C ATOM 851 CG1 ILE A 72 -11.544 -7.978 -3.474 1.00 0.32 C ATOM 852 CG2 ILE A 72 -10.819 -6.596 -5.424 1.00 0.45 C ATOM 853 CD1 ILE A 72 -10.268 -8.571 -2.871 1.00 0.36 C ATOM 0 H ILE A 72 -13.636 -6.945 -4.093 1.00 0.36 H new ATOM 0 HA ILE A 72 -12.702 -8.105 -6.738 1.00 0.37 H new ATOM 0 HB ILE A 72 -10.750 -8.747 -5.319 1.00 0.37 H new ATOM 0 HG12 ILE A 72 -11.711 -6.973 -3.087 1.00 0.32 H new ATOM 0 HG13 ILE A 72 -12.408 -8.577 -3.188 1.00 0.32 H new ATOM 0 HG21 ILE A 72 -9.842 -6.464 -4.959 1.00 0.45 H new ATOM 0 HG22 ILE A 72 -10.711 -6.573 -6.508 1.00 0.45 H new ATOM 0 HG23 ILE A 72 -11.483 -5.791 -5.108 1.00 0.45 H new ATOM 0 HD11 ILE A 72 -10.358 -8.600 -1.785 1.00 0.36 H new ATOM 0 HD12 ILE A 72 -10.122 -9.582 -3.250 1.00 0.36 H new ATOM 0 HD13 ILE A 72 -9.414 -7.953 -3.148 1.00 0.36 H new ATOM 865 N LYS A 73 -12.653 -10.379 -4.697 1.00 0.32 N ATOM 866 CA LYS A 73 -13.208 -11.720 -4.344 1.00 0.32 C ATOM 867 C LYS A 73 -13.207 -11.936 -2.836 1.00 0.28 C ATOM 868 O LYS A 73 -14.086 -12.580 -2.299 1.00 0.31 O ATOM 869 CB LYS A 73 -12.257 -12.713 -5.007 1.00 0.38 C ATOM 870 CG LYS A 73 -12.721 -14.138 -4.721 1.00 0.41 C ATOM 871 CD LYS A 73 -13.856 -14.512 -5.679 1.00 0.52 C ATOM 872 CE LYS A 73 -13.648 -15.940 -6.188 1.00 0.70 C ATOM 873 NZ LYS A 73 -14.601 -16.086 -7.323 1.00 0.78 N ATOM 0 H LYS A 73 -11.677 -10.234 -4.439 1.00 0.32 H new ATOM 0 HA LYS A 73 -14.241 -11.829 -4.675 1.00 0.32 H new ATOM 0 HB2 LYS A 73 -12.226 -12.539 -6.083 1.00 0.38 H new ATOM 0 HB3 LYS A 73 -11.244 -12.568 -4.631 1.00 0.38 H new ATOM 0 HG2 LYS A 73 -11.889 -14.832 -4.838 1.00 0.41 H new ATOM 0 HG3 LYS A 73 -13.061 -14.220 -3.689 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -14.816 -14.433 -5.170 1.00 0.52 H new ATOM 0 HD3 LYS A 73 -13.882 -13.816 -6.518 1.00 0.52 H new ATOM 0 HE2 LYS A 73 -12.620 -16.097 -6.513 1.00 0.70 H new ATOM 0 HE3 LYS A 73 -13.851 -16.672 -5.406 1.00 0.70 H new ATOM 0 HZ1 LYS A 73 -14.518 -17.041 -7.726 1.00 0.78 H new ATOM 0 HZ2 LYS A 73 -15.572 -15.937 -6.982 1.00 0.78 H new ATOM 0 HZ3 LYS A 73 -14.380 -15.381 -8.055 1.00 0.78 H new ATOM 887 N LYS A 74 -12.206 -11.428 -2.168 1.00 0.27 N ATOM 888 CA LYS A 74 -12.072 -11.604 -0.686 1.00 0.27 C ATOM 889 C LYS A 74 -11.679 -13.048 -0.361 1.00 0.28 C ATOM 890 O LYS A 74 -10.780 -13.288 0.421 1.00 0.31 O ATOM 891 CB LYS A 74 -13.427 -11.264 -0.040 1.00 0.28 C ATOM 892 CG LYS A 74 -14.031 -9.996 -0.648 1.00 0.29 C ATOM 893 CD LYS A 74 -12.976 -8.891 -0.743 1.00 0.30 C ATOM 894 CE LYS A 74 -12.557 -8.469 0.665 1.00 0.31 C ATOM 895 NZ LYS A 74 -12.355 -6.995 0.585 1.00 0.33 N ATOM 0 H LYS A 74 -11.456 -10.885 -2.595 1.00 0.27 H new ATOM 0 HA LYS A 74 -11.295 -10.946 -0.297 1.00 0.27 H new ATOM 0 HB2 LYS A 74 -14.116 -12.098 -0.175 1.00 0.28 H new ATOM 0 HB3 LYS A 74 -13.297 -11.128 1.034 1.00 0.28 H new ATOM 0 HG2 LYS A 74 -14.427 -10.214 -1.640 1.00 0.29 H new ATOM 0 HG3 LYS A 74 -14.868 -9.656 -0.038 1.00 0.29 H new ATOM 0 HD2 LYS A 74 -12.110 -9.247 -1.301 1.00 0.30 H new ATOM 0 HD3 LYS A 74 -13.377 -8.036 -1.287 1.00 0.30 H new ATOM 0 HE2 LYS A 74 -13.324 -8.723 1.397 1.00 0.31 H new ATOM 0 HE3 LYS A 74 -11.642 -8.976 0.973 1.00 0.31 H new ATOM 0 HZ1 LYS A 74 -11.338 -6.786 0.532 1.00 0.33 H new ATOM 0 HZ2 LYS A 74 -12.829 -6.625 -0.263 1.00 0.33 H new ATOM 0 HZ3 LYS A 74 -12.757 -6.543 1.431 1.00 0.33 H new ATOM 909 N SER A 75 -12.334 -14.011 -0.962 1.00 0.30 N ATOM 910 CA SER A 75 -11.987 -15.436 -0.687 1.00 0.33 C ATOM 911 C SER A 75 -10.536 -15.686 -1.086 1.00 0.33 C ATOM 912 O SER A 75 -9.802 -16.365 -0.396 1.00 0.38 O ATOM 913 CB SER A 75 -12.947 -16.264 -1.547 1.00 0.35 C ATOM 914 OG SER A 75 -12.492 -16.281 -2.895 1.00 0.47 O ATOM 0 H SER A 75 -13.092 -13.870 -1.630 1.00 0.30 H new ATOM 0 HA SER A 75 -12.083 -15.698 0.367 1.00 0.33 H new ATOM 0 HB2 SER A 75 -13.010 -17.282 -1.162 1.00 0.35 H new ATOM 0 HB3 SER A 75 -13.951 -15.842 -1.497 1.00 0.35 H new ATOM 0 HG SER A 75 -13.010 -16.936 -3.407 1.00 0.47 H new ATOM 920 N LYS A 76 -10.120 -15.123 -2.190 1.00 0.32 N ATOM 921 CA LYS A 76 -8.713 -15.301 -2.642 1.00 0.36 C ATOM 922 C LYS A 76 -7.796 -14.384 -1.831 1.00 0.35 C ATOM 923 O LYS A 76 -6.726 -14.780 -1.411 1.00 0.39 O ATOM 924 CB LYS A 76 -8.713 -14.901 -4.117 1.00 0.40 C ATOM 925 CG LYS A 76 -7.561 -15.607 -4.837 1.00 0.49 C ATOM 926 CD LYS A 76 -7.791 -17.122 -4.822 1.00 0.53 C ATOM 927 CE LYS A 76 -6.758 -17.790 -3.910 1.00 0.80 C ATOM 928 NZ LYS A 76 -6.407 -19.065 -4.596 1.00 0.96 N ATOM 0 H LYS A 76 -10.699 -14.545 -2.799 1.00 0.32 H new ATOM 0 HA LYS A 76 -8.354 -16.321 -2.506 1.00 0.36 H new ATOM 0 HB2 LYS A 76 -9.663 -15.170 -4.578 1.00 0.40 H new ATOM 0 HB3 LYS A 76 -8.607 -13.820 -4.212 1.00 0.40 H new ATOM 0 HG2 LYS A 76 -7.489 -15.251 -5.865 1.00 0.49 H new ATOM 0 HG3 LYS A 76 -6.615 -15.369 -4.350 1.00 0.49 H new ATOM 0 HD2 LYS A 76 -8.799 -17.343 -4.470 1.00 0.53 H new ATOM 0 HD3 LYS A 76 -7.711 -17.522 -5.833 1.00 0.53 H new ATOM 0 HE2 LYS A 76 -5.880 -17.158 -3.778 1.00 0.80 H new ATOM 0 HE3 LYS A 76 -7.169 -17.976 -2.918 1.00 0.80 H new ATOM 0 HZ1 LYS A 76 -5.702 -19.581 -4.031 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -7.261 -19.649 -4.701 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -6.012 -18.857 -5.535 1.00 0.96 H new ATOM 942 N ALA A 77 -8.217 -13.163 -1.601 1.00 0.34 N ATOM 943 CA ALA A 77 -7.380 -12.213 -0.806 1.00 0.34 C ATOM 944 C ALA A 77 -7.183 -12.758 0.608 1.00 0.33 C ATOM 945 O ALA A 77 -6.070 -12.912 1.075 1.00 0.36 O ATOM 946 CB ALA A 77 -8.176 -10.907 -0.762 1.00 0.34 C ATOM 0 H ALA A 77 -9.105 -12.784 -1.930 1.00 0.34 H new ATOM 0 HA ALA A 77 -6.392 -12.069 -1.244 1.00 0.34 H new ATOM 0 HB1 ALA A 77 -7.621 -10.161 -0.193 1.00 0.34 H new ATOM 0 HB2 ALA A 77 -8.335 -10.544 -1.777 1.00 0.34 H new ATOM 0 HB3 ALA A 77 -9.140 -11.084 -0.285 1.00 0.34 H new ATOM 952 N ILE A 78 -8.261 -13.054 1.290 1.00 0.31 N ATOM 953 CA ILE A 78 -8.149 -13.595 2.675 1.00 0.32 C ATOM 954 C ILE A 78 -7.356 -14.905 2.655 1.00 0.34 C ATOM 955 O ILE A 78 -6.490 -15.123 3.482 1.00 0.38 O ATOM 956 CB ILE A 78 -9.593 -13.820 3.134 1.00 0.34 C ATOM 957 CG1 ILE A 78 -10.323 -12.474 3.172 1.00 0.33 C ATOM 958 CG2 ILE A 78 -9.599 -14.441 4.532 1.00 0.42 C ATOM 959 CD1 ILE A 78 -11.818 -12.686 2.932 1.00 0.33 C ATOM 0 H ILE A 78 -9.214 -12.943 0.945 1.00 0.31 H new ATOM 0 HA ILE A 78 -7.622 -12.922 3.351 1.00 0.32 H new ATOM 0 HB ILE A 78 -10.095 -14.493 2.440 1.00 0.34 H new ATOM 0 HG12 ILE A 78 -10.165 -11.992 4.137 1.00 0.33 H new ATOM 0 HG13 ILE A 78 -9.915 -11.807 2.412 1.00 0.33 H new ATOM 0 HG21 ILE A 78 -10.628 -14.600 4.855 1.00 0.42 H new ATOM 0 HG22 ILE A 78 -9.075 -15.396 4.508 1.00 0.42 H new ATOM 0 HG23 ILE A 78 -9.099 -13.770 5.230 1.00 0.42 H new ATOM 0 HD11 ILE A 78 -12.331 -11.725 2.960 1.00 0.33 H new ATOM 0 HD12 ILE A 78 -11.968 -13.149 1.956 1.00 0.33 H new ATOM 0 HD13 ILE A 78 -12.222 -13.336 3.708 1.00 0.33 H new ATOM 971 N ASN A 79 -7.624 -15.768 1.703 1.00 0.36 N ATOM 972 CA ASN A 79 -6.857 -17.048 1.623 1.00 0.40 C ATOM 973 C ASN A 79 -5.383 -16.720 1.394 1.00 0.41 C ATOM 974 O ASN A 79 -4.500 -17.351 1.944 1.00 0.46 O ATOM 975 CB ASN A 79 -7.429 -17.804 0.422 1.00 0.44 C ATOM 976 CG ASN A 79 -8.646 -18.624 0.859 1.00 0.48 C ATOM 977 OD1 ASN A 79 -9.532 -18.089 1.654 1.00 0.57 O flip ATOM 978 ND2 ASN A 79 -8.791 -19.767 0.473 1.00 0.49 N flip ATOM 0 H ASN A 79 -8.336 -15.641 0.984 1.00 0.36 H new ATOM 0 HA ASN A 79 -6.937 -17.644 2.532 1.00 0.40 H new ATOM 0 HB2 ASN A 79 -7.714 -17.101 -0.360 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -6.669 -18.461 -0.002 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -8.100 -20.187 -0.148 1.00 0.49 H new ATOM 0 HD22 ASN A 79 -9.604 -20.306 0.770 1.00 0.49 H new ATOM 985 N VAL A 80 -5.123 -15.714 0.596 1.00 0.39 N ATOM 986 CA VAL A 80 -3.715 -15.302 0.331 1.00 0.42 C ATOM 987 C VAL A 80 -3.086 -14.828 1.641 1.00 0.42 C ATOM 988 O VAL A 80 -2.063 -15.329 2.061 1.00 0.45 O ATOM 989 CB VAL A 80 -3.822 -14.155 -0.687 1.00 0.41 C ATOM 990 CG1 VAL A 80 -2.857 -13.020 -0.332 1.00 0.44 C ATOM 991 CG2 VAL A 80 -3.489 -14.683 -2.084 1.00 0.61 C ATOM 0 H VAL A 80 -5.831 -15.159 0.115 1.00 0.39 H new ATOM 0 HA VAL A 80 -3.092 -16.109 -0.054 1.00 0.42 H new ATOM 0 HB VAL A 80 -4.840 -13.766 -0.666 1.00 0.41 H new ATOM 0 HG11 VAL A 80 -2.951 -12.220 -1.066 1.00 0.44 H new ATOM 0 HG12 VAL A 80 -3.098 -12.634 0.658 1.00 0.44 H new ATOM 0 HG13 VAL A 80 -1.834 -13.397 -0.335 1.00 0.44 H new ATOM 0 HG21 VAL A 80 -3.564 -13.871 -2.807 1.00 0.61 H new ATOM 0 HG22 VAL A 80 -2.474 -15.081 -2.090 1.00 0.61 H new ATOM 0 HG23 VAL A 80 -4.191 -15.473 -2.351 1.00 0.61 H new ATOM 1001 N LEU A 81 -3.703 -13.869 2.288 1.00 0.39 N ATOM 1002 CA LEU A 81 -3.154 -13.354 3.579 1.00 0.41 C ATOM 1003 C LEU A 81 -2.926 -14.514 4.549 1.00 0.43 C ATOM 1004 O LEU A 81 -2.032 -14.480 5.376 1.00 0.45 O ATOM 1005 CB LEU A 81 -4.220 -12.402 4.116 1.00 0.43 C ATOM 1006 CG LEU A 81 -3.713 -10.964 4.005 1.00 0.53 C ATOM 1007 CD1 LEU A 81 -4.219 -10.342 2.703 1.00 0.86 C ATOM 1008 CD2 LEU A 81 -4.230 -10.153 5.192 1.00 0.59 C ATOM 0 H LEU A 81 -4.565 -13.421 1.976 1.00 0.39 H new ATOM 0 HA LEU A 81 -2.195 -12.852 3.451 1.00 0.41 H new ATOM 0 HB2 LEU A 81 -5.146 -12.518 3.552 1.00 0.43 H new ATOM 0 HB3 LEU A 81 -4.448 -12.641 5.155 1.00 0.43 H new ATOM 0 HG LEU A 81 -2.623 -10.961 4.007 1.00 0.53 H new ATOM 0 HD11 LEU A 81 -3.857 -9.317 2.625 1.00 0.86 H new ATOM 0 HD12 LEU A 81 -3.852 -10.922 1.856 1.00 0.86 H new ATOM 0 HD13 LEU A 81 -5.309 -10.343 2.699 1.00 0.86 H new ATOM 0 HD21 LEU A 81 -3.870 -9.127 5.116 1.00 0.59 H new ATOM 0 HD22 LEU A 81 -5.320 -10.157 5.188 1.00 0.59 H new ATOM 0 HD23 LEU A 81 -3.869 -10.596 6.120 1.00 0.59 H new ATOM 1020 N ARG A 82 -3.715 -15.551 4.437 1.00 0.46 N ATOM 1021 CA ARG A 82 -3.528 -16.724 5.332 1.00 0.51 C ATOM 1022 C ARG A 82 -2.226 -17.426 4.943 1.00 0.51 C ATOM 1023 O ARG A 82 -1.365 -17.676 5.770 1.00 0.54 O ATOM 1024 CB ARG A 82 -4.734 -17.630 5.075 1.00 0.55 C ATOM 1025 CG ARG A 82 -4.918 -18.589 6.255 1.00 0.54 C ATOM 1026 CD ARG A 82 -6.100 -18.129 7.114 1.00 0.54 C ATOM 1027 NE ARG A 82 -7.207 -19.067 6.779 1.00 0.57 N ATOM 1028 CZ ARG A 82 -7.857 -18.934 5.655 1.00 0.57 C ATOM 1029 NH1 ARG A 82 -8.689 -17.942 5.496 1.00 0.65 N ATOM 1030 NH2 ARG A 82 -7.674 -19.794 4.690 1.00 0.65 N ATOM 0 H ARG A 82 -4.478 -15.633 3.765 1.00 0.46 H new ATOM 0 HA ARG A 82 -3.464 -16.454 6.386 1.00 0.51 H new ATOM 0 HB2 ARG A 82 -5.632 -17.027 4.940 1.00 0.55 H new ATOM 0 HB3 ARG A 82 -4.588 -18.195 4.154 1.00 0.55 H new ATOM 0 HG2 ARG A 82 -5.093 -19.601 5.890 1.00 0.54 H new ATOM 0 HG3 ARG A 82 -4.009 -18.620 6.856 1.00 0.54 H new ATOM 0 HD2 ARG A 82 -5.856 -18.169 8.176 1.00 0.54 H new ATOM 0 HD3 ARG A 82 -6.374 -17.098 6.889 1.00 0.54 H new ATOM 0 HE ARG A 82 -7.457 -19.813 7.428 1.00 0.57 H new ATOM 0 HH11 ARG A 82 -8.832 -17.270 6.250 1.00 0.65 H new ATOM 0 HH12 ARG A 82 -9.197 -17.838 4.618 1.00 0.65 H new ATOM 0 HH21 ARG A 82 -7.023 -20.570 4.815 1.00 0.65 H new ATOM 0 HH22 ARG A 82 -8.182 -19.690 3.811 1.00 0.65 H new ATOM 1044 N GLY A 83 -2.069 -17.718 3.675 1.00 0.52 N ATOM 1045 CA GLY A 83 -0.817 -18.374 3.200 1.00 0.54 C ATOM 1046 C GLY A 83 0.352 -17.418 3.439 1.00 0.49 C ATOM 1047 O GLY A 83 1.479 -17.834 3.626 1.00 0.50 O ATOM 0 H GLY A 83 -2.759 -17.528 2.948 1.00 0.52 H new ATOM 0 HA2 GLY A 83 -0.655 -19.311 3.732 1.00 0.54 H new ATOM 0 HA3 GLY A 83 -0.896 -18.619 2.141 1.00 0.54 H new ATOM 1051 N PHE A 84 0.079 -16.135 3.452 1.00 0.49 N ATOM 1052 CA PHE A 84 1.155 -15.135 3.702 1.00 0.46 C ATOM 1053 C PHE A 84 1.682 -15.335 5.120 1.00 0.42 C ATOM 1054 O PHE A 84 2.874 -15.302 5.364 1.00 0.43 O ATOM 1055 CB PHE A 84 0.474 -13.770 3.564 1.00 0.48 C ATOM 1056 CG PHE A 84 0.659 -13.237 2.170 1.00 0.50 C ATOM 1057 CD1 PHE A 84 0.331 -14.029 1.064 1.00 0.90 C ATOM 1058 CD2 PHE A 84 1.156 -11.943 1.984 1.00 1.05 C ATOM 1059 CE1 PHE A 84 0.502 -13.526 -0.226 1.00 0.90 C ATOM 1060 CE2 PHE A 84 1.324 -11.440 0.694 1.00 1.22 C ATOM 1061 CZ PHE A 84 0.997 -12.231 -0.410 1.00 0.79 C ATOM 0 H PHE A 84 -0.849 -15.740 3.299 1.00 0.49 H new ATOM 0 HA PHE A 84 1.996 -15.226 3.015 1.00 0.46 H new ATOM 0 HB2 PHE A 84 -0.589 -13.861 3.788 1.00 0.48 H new ATOM 0 HB3 PHE A 84 0.894 -13.071 4.287 1.00 0.48 H new ATOM 0 HD1 PHE A 84 -0.054 -15.028 1.209 1.00 0.90 H new ATOM 0 HD2 PHE A 84 1.410 -11.334 2.839 1.00 1.05 H new ATOM 0 HE1 PHE A 84 0.252 -14.136 -1.082 1.00 0.90 H new ATOM 0 HE2 PHE A 84 1.706 -10.440 0.549 1.00 1.22 H new ATOM 0 HZ PHE A 84 1.127 -11.841 -1.409 1.00 0.79 H new ATOM 1071 N ARG A 85 0.790 -15.567 6.053 1.00 0.43 N ATOM 1072 CA ARG A 85 1.217 -15.800 7.462 1.00 0.43 C ATOM 1073 C ARG A 85 1.978 -17.123 7.541 1.00 0.41 C ATOM 1074 O ARG A 85 2.903 -17.274 8.314 1.00 0.39 O ATOM 1075 CB ARG A 85 -0.079 -15.876 8.270 1.00 0.49 C ATOM 1076 CG ARG A 85 0.249 -15.828 9.763 1.00 0.57 C ATOM 1077 CD ARG A 85 0.477 -17.250 10.286 1.00 0.69 C ATOM 1078 NE ARG A 85 1.722 -17.168 11.102 1.00 0.77 N ATOM 1079 CZ ARG A 85 2.081 -18.178 11.847 1.00 0.71 C ATOM 1080 NH1 ARG A 85 1.464 -18.410 12.974 1.00 0.97 N ATOM 1081 NH2 ARG A 85 3.057 -18.956 11.466 1.00 0.63 N ATOM 0 H ARG A 85 -0.217 -15.604 5.895 1.00 0.43 H new ATOM 0 HA ARG A 85 1.874 -15.016 7.839 1.00 0.43 H new ATOM 0 HB2 ARG A 85 -0.735 -15.047 8.004 1.00 0.49 H new ATOM 0 HB3 ARG A 85 -0.614 -16.795 8.034 1.00 0.49 H new ATOM 0 HG2 ARG A 85 1.139 -15.221 9.931 1.00 0.57 H new ATOM 0 HG3 ARG A 85 -0.567 -15.355 10.310 1.00 0.57 H new ATOM 0 HD2 ARG A 85 -0.367 -17.589 10.887 1.00 0.69 H new ATOM 0 HD3 ARG A 85 0.589 -17.959 9.465 1.00 0.69 H new ATOM 0 HE ARG A 85 2.293 -16.323 11.078 1.00 0.77 H new ATOM 0 HH11 ARG A 85 0.701 -17.802 13.272 1.00 0.97 H new ATOM 0 HH12 ARG A 85 1.745 -19.199 13.556 1.00 0.97 H new ATOM 0 HH21 ARG A 85 3.540 -18.775 10.586 1.00 0.63 H new ATOM 0 HH22 ARG A 85 3.337 -19.745 12.048 1.00 0.63 H new ATOM 1095 N LYS A 86 1.596 -18.081 6.734 1.00 0.47 N ATOM 1096 CA LYS A 86 2.305 -19.393 6.749 1.00 0.47 C ATOM 1097 C LYS A 86 3.652 -19.254 6.038 1.00 0.43 C ATOM 1098 O LYS A 86 4.635 -19.860 6.424 1.00 0.41 O ATOM 1099 CB LYS A 86 1.389 -20.359 5.996 1.00 0.55 C ATOM 1100 CG LYS A 86 1.640 -21.788 6.487 1.00 0.61 C ATOM 1101 CD LYS A 86 1.241 -21.905 7.962 1.00 0.67 C ATOM 1102 CE LYS A 86 2.494 -21.851 8.842 1.00 0.55 C ATOM 1103 NZ LYS A 86 2.320 -22.954 9.828 1.00 0.71 N ATOM 0 H LYS A 86 0.826 -18.010 6.068 1.00 0.47 H new ATOM 0 HA LYS A 86 2.507 -19.747 7.760 1.00 0.47 H new ATOM 0 HB2 LYS A 86 0.346 -20.086 6.155 1.00 0.55 H new ATOM 0 HB3 LYS A 86 1.576 -20.293 4.924 1.00 0.55 H new ATOM 0 HG2 LYS A 86 1.066 -22.495 5.888 1.00 0.61 H new ATOM 0 HG3 LYS A 86 2.692 -22.046 6.363 1.00 0.61 H new ATOM 0 HD2 LYS A 86 0.561 -21.096 8.230 1.00 0.67 H new ATOM 0 HD3 LYS A 86 0.706 -22.840 8.131 1.00 0.67 H new ATOM 0 HE2 LYS A 86 3.399 -21.990 8.250 1.00 0.55 H new ATOM 0 HE3 LYS A 86 2.585 -20.886 9.341 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 3.140 -22.981 10.467 1.00 0.71 H new ATOM 0 HZ2 LYS A 86 1.455 -22.791 10.382 1.00 0.71 H new ATOM 0 HZ3 LYS A 86 2.243 -23.861 9.325 1.00 0.71 H new ATOM 1117 N GLU A 87 3.703 -18.446 5.009 1.00 0.45 N ATOM 1118 CA GLU A 87 4.984 -18.244 4.271 1.00 0.44 C ATOM 1119 C GLU A 87 5.978 -17.508 5.170 1.00 0.37 C ATOM 1120 O GLU A 87 7.163 -17.785 5.161 1.00 0.38 O ATOM 1121 CB GLU A 87 4.618 -17.387 3.058 1.00 0.51 C ATOM 1122 CG GLU A 87 4.346 -18.294 1.856 1.00 0.51 C ATOM 1123 CD GLU A 87 4.700 -17.550 0.567 1.00 0.56 C ATOM 1124 OE1 GLU A 87 4.185 -16.461 0.374 1.00 0.78 O ATOM 1125 OE2 GLU A 87 5.480 -18.083 -0.205 1.00 0.68 O ATOM 0 H GLU A 87 2.909 -17.917 4.648 1.00 0.45 H new ATOM 0 HA GLU A 87 5.448 -19.183 3.971 1.00 0.44 H new ATOM 0 HB2 GLU A 87 3.738 -16.783 3.278 1.00 0.51 H new ATOM 0 HB3 GLU A 87 5.429 -16.696 2.829 1.00 0.51 H new ATOM 0 HG2 GLU A 87 4.935 -19.207 1.935 1.00 0.51 H new ATOM 0 HG3 GLU A 87 3.297 -18.591 1.841 1.00 0.51 H new ATOM 1132 N ILE A 88 5.496 -16.579 5.956 1.00 0.34 N ATOM 1133 CA ILE A 88 6.401 -15.828 6.871 1.00 0.30 C ATOM 1134 C ILE A 88 6.884 -16.772 7.980 1.00 0.27 C ATOM 1135 O ILE A 88 8.042 -16.759 8.361 1.00 0.26 O ATOM 1136 CB ILE A 88 5.544 -14.666 7.411 1.00 0.34 C ATOM 1137 CG1 ILE A 88 6.384 -13.382 7.431 1.00 0.37 C ATOM 1138 CG2 ILE A 88 5.037 -14.965 8.826 1.00 0.36 C ATOM 1139 CD1 ILE A 88 5.753 -12.341 6.504 1.00 0.50 C ATOM 0 H ILE A 88 4.513 -16.310 6.002 1.00 0.34 H new ATOM 0 HA ILE A 88 7.298 -15.442 6.386 1.00 0.30 H new ATOM 0 HB ILE A 88 4.681 -14.541 6.757 1.00 0.34 H new ATOM 0 HG12 ILE A 88 6.444 -12.991 8.447 1.00 0.37 H new ATOM 0 HG13 ILE A 88 7.404 -13.598 7.112 1.00 0.37 H new ATOM 0 HG21 ILE A 88 4.436 -14.128 9.181 1.00 0.36 H new ATOM 0 HG22 ILE A 88 4.428 -15.869 8.811 1.00 0.36 H new ATOM 0 HG23 ILE A 88 5.886 -15.111 9.494 1.00 0.36 H new ATOM 0 HD11 ILE A 88 6.351 -11.430 6.520 1.00 0.50 H new ATOM 0 HD12 ILE A 88 5.716 -12.733 5.488 1.00 0.50 H new ATOM 0 HD13 ILE A 88 4.742 -12.117 6.843 1.00 0.50 H new ATOM 1151 N GLY A 89 6.008 -17.615 8.474 1.00 0.29 N ATOM 1152 CA GLY A 89 6.415 -18.586 9.531 1.00 0.30 C ATOM 1153 C GLY A 89 7.504 -19.487 8.953 1.00 0.27 C ATOM 1154 O GLY A 89 8.420 -19.901 9.639 1.00 0.28 O ATOM 0 H GLY A 89 5.030 -17.670 8.189 1.00 0.29 H new ATOM 0 HA2 GLY A 89 6.784 -18.059 10.411 1.00 0.30 H new ATOM 0 HA3 GLY A 89 5.559 -19.180 9.852 1.00 0.30 H new ATOM 1158 N ARG A 90 7.415 -19.769 7.679 1.00 0.28 N ATOM 1159 CA ARG A 90 8.446 -20.618 7.022 1.00 0.28 C ATOM 1160 C ARG A 90 9.759 -19.840 6.943 1.00 0.25 C ATOM 1161 O ARG A 90 10.832 -20.396 7.100 1.00 0.26 O ATOM 1162 CB ARG A 90 7.905 -20.889 5.618 1.00 0.32 C ATOM 1163 CG ARG A 90 7.116 -22.197 5.610 1.00 0.37 C ATOM 1164 CD ARG A 90 6.690 -22.514 4.176 1.00 0.47 C ATOM 1165 NE ARG A 90 6.472 -23.988 4.152 1.00 0.97 N ATOM 1166 CZ ARG A 90 7.492 -24.801 4.201 1.00 1.46 C ATOM 1167 NH1 ARG A 90 8.240 -24.975 3.146 1.00 1.86 N ATOM 1168 NH2 ARG A 90 7.763 -25.442 5.305 1.00 1.80 N ATOM 0 H ARG A 90 6.668 -19.445 7.065 1.00 0.28 H new ATOM 0 HA ARG A 90 8.638 -21.544 7.564 1.00 0.28 H new ATOM 0 HB2 ARG A 90 7.265 -20.066 5.300 1.00 0.32 H new ATOM 0 HB3 ARG A 90 8.728 -20.946 4.906 1.00 0.32 H new ATOM 0 HG2 ARG A 90 7.726 -23.007 6.009 1.00 0.37 H new ATOM 0 HG3 ARG A 90 6.240 -22.112 6.253 1.00 0.37 H new ATOM 0 HD2 ARG A 90 5.781 -21.977 3.907 1.00 0.47 H new ATOM 0 HD3 ARG A 90 7.458 -22.218 3.462 1.00 0.47 H new ATOM 0 HE ARG A 90 5.525 -24.362 4.097 1.00 0.97 H new ATOM 0 HH11 ARG A 90 8.028 -24.476 2.282 1.00 1.86 H new ATOM 0 HH12 ARG A 90 9.037 -25.610 3.185 1.00 1.86 H new ATOM 0 HH21 ARG A 90 7.178 -25.308 6.130 1.00 1.80 H new ATOM 0 HH22 ARG A 90 8.560 -26.077 5.343 1.00 1.80 H new ATOM 1182 N MET A 91 9.674 -18.545 6.726 1.00 0.24 N ATOM 1183 CA MET A 91 10.910 -17.713 6.656 1.00 0.24 C ATOM 1184 C MET A 91 11.653 -17.857 7.972 1.00 0.22 C ATOM 1185 O MET A 91 12.865 -17.949 8.014 1.00 0.26 O ATOM 1186 CB MET A 91 10.424 -16.276 6.453 1.00 0.28 C ATOM 1187 CG MET A 91 11.384 -15.541 5.516 1.00 0.47 C ATOM 1188 SD MET A 91 10.861 -13.817 5.348 1.00 0.60 S ATOM 1189 CE MET A 91 9.452 -14.114 4.252 1.00 0.76 C ATOM 0 H MET A 91 8.801 -18.034 6.595 1.00 0.24 H new ATOM 0 HA MET A 91 11.585 -18.007 5.853 1.00 0.24 H new ATOM 0 HB2 MET A 91 9.418 -16.277 6.033 1.00 0.28 H new ATOM 0 HB3 MET A 91 10.369 -15.761 7.412 1.00 0.28 H new ATOM 0 HG2 MET A 91 12.400 -15.587 5.909 1.00 0.47 H new ATOM 0 HG3 MET A 91 11.398 -16.025 4.539 1.00 0.47 H new ATOM 0 HE1 MET A 91 9.656 -13.682 3.272 1.00 0.76 H new ATOM 0 HE2 MET A 91 9.291 -15.187 4.149 1.00 0.76 H new ATOM 0 HE3 MET A 91 8.559 -13.652 4.674 1.00 0.76 H new ATOM 1199 N LEU A 92 10.914 -17.913 9.047 1.00 0.21 N ATOM 1200 CA LEU A 92 11.547 -18.091 10.378 1.00 0.23 C ATOM 1201 C LEU A 92 12.192 -19.461 10.425 1.00 0.23 C ATOM 1202 O LEU A 92 13.311 -19.606 10.875 1.00 0.25 O ATOM 1203 CB LEU A 92 10.410 -17.965 11.373 1.00 0.27 C ATOM 1204 CG LEU A 92 9.888 -16.541 11.282 1.00 0.29 C ATOM 1205 CD1 LEU A 92 8.387 -16.516 11.579 1.00 0.36 C ATOM 1206 CD2 LEU A 92 10.631 -15.658 12.289 1.00 0.36 C ATOM 0 H LEU A 92 9.896 -17.843 9.057 1.00 0.21 H new ATOM 0 HA LEU A 92 12.327 -17.362 10.596 1.00 0.23 H new ATOM 0 HB2 LEU A 92 9.619 -18.680 11.146 1.00 0.27 H new ATOM 0 HB3 LEU A 92 10.757 -18.184 12.383 1.00 0.27 H new ATOM 0 HG LEU A 92 10.056 -16.160 10.275 1.00 0.29 H new ATOM 0 HD11 LEU A 92 8.020 -15.492 11.512 1.00 0.36 H new ATOM 0 HD12 LEU A 92 7.862 -17.138 10.854 1.00 0.36 H new ATOM 0 HD13 LEU A 92 8.208 -16.900 12.583 1.00 0.36 H new ATOM 0 HD21 LEU A 92 10.256 -14.637 12.223 1.00 0.36 H new ATOM 0 HD22 LEU A 92 10.469 -16.040 13.297 1.00 0.36 H new ATOM 0 HD23 LEU A 92 11.698 -15.668 12.064 1.00 0.36 H new ATOM 1218 N ASN A 93 11.513 -20.462 9.915 1.00 0.24 N ATOM 1219 CA ASN A 93 12.117 -21.823 9.882 1.00 0.26 C ATOM 1220 C ASN A 93 13.477 -21.718 9.188 1.00 0.26 C ATOM 1221 O ASN A 93 14.378 -22.496 9.434 1.00 0.31 O ATOM 1222 CB ASN A 93 11.152 -22.685 9.059 1.00 0.29 C ATOM 1223 CG ASN A 93 10.509 -23.762 9.943 1.00 0.40 C ATOM 1224 OD1 ASN A 93 11.174 -24.265 10.950 1.00 0.54 O flip ATOM 1225 ND2 ASN A 93 9.386 -24.158 9.708 1.00 0.54 N flip ATOM 0 H ASN A 93 10.574 -20.392 9.524 1.00 0.24 H new ATOM 0 HA ASN A 93 12.267 -22.253 10.872 1.00 0.26 H new ATOM 0 HB2 ASN A 93 10.378 -22.056 8.619 1.00 0.29 H new ATOM 0 HB3 ASN A 93 11.687 -23.155 8.234 1.00 0.29 H new ATOM 0 HD21 ASN A 93 8.862 -23.770 8.924 1.00 0.54 H new ATOM 0 HD22 ASN A 93 8.966 -24.879 10.295 1.00 0.54 H new ATOM 1232 N ILE A 94 13.626 -20.733 8.327 1.00 0.23 N ATOM 1233 CA ILE A 94 14.926 -20.543 7.619 1.00 0.25 C ATOM 1234 C ILE A 94 15.889 -19.707 8.473 1.00 0.25 C ATOM 1235 O ILE A 94 17.082 -19.950 8.467 1.00 0.28 O ATOM 1236 CB ILE A 94 14.617 -19.793 6.316 1.00 0.27 C ATOM 1237 CG1 ILE A 94 13.303 -20.307 5.704 1.00 0.29 C ATOM 1238 CG2 ILE A 94 15.775 -20.005 5.335 1.00 0.33 C ATOM 1239 CD1 ILE A 94 13.351 -20.229 4.173 1.00 0.44 C ATOM 0 H ILE A 94 12.901 -20.056 8.088 1.00 0.23 H new ATOM 0 HA ILE A 94 15.399 -21.506 7.426 1.00 0.25 H new ATOM 0 HB ILE A 94 14.503 -18.729 6.525 1.00 0.27 H new ATOM 0 HG12 ILE A 94 13.130 -21.337 6.015 1.00 0.29 H new ATOM 0 HG13 ILE A 94 12.467 -19.716 6.077 1.00 0.29 H new ATOM 0 HG21 ILE A 94 15.566 -19.476 4.405 1.00 0.33 H new ATOM 0 HG22 ILE A 94 16.697 -19.620 5.772 1.00 0.33 H new ATOM 0 HG23 ILE A 94 15.887 -21.070 5.129 1.00 0.33 H new ATOM 0 HD11 ILE A 94 12.412 -20.597 3.760 1.00 0.44 H new ATOM 0 HD12 ILE A 94 13.501 -19.194 3.866 1.00 0.44 H new ATOM 0 HD13 ILE A 94 14.174 -20.840 3.803 1.00 0.44 H new ATOM 1251 N LEU A 95 15.403 -18.710 9.189 1.00 0.23 N ATOM 1252 CA LEU A 95 16.349 -17.874 10.003 1.00 0.24 C ATOM 1253 C LEU A 95 16.402 -18.328 11.469 1.00 0.25 C ATOM 1254 O LEU A 95 16.971 -17.652 12.305 1.00 0.28 O ATOM 1255 CB LEU A 95 15.839 -16.434 9.896 1.00 0.25 C ATOM 1256 CG LEU A 95 14.401 -16.348 10.400 1.00 0.27 C ATOM 1257 CD1 LEU A 95 14.371 -15.655 11.762 1.00 0.36 C ATOM 1258 CD2 LEU A 95 13.562 -15.547 9.399 1.00 0.31 C ATOM 0 H LEU A 95 14.419 -18.446 9.243 1.00 0.23 H new ATOM 0 HA LEU A 95 17.367 -17.971 9.627 1.00 0.24 H new ATOM 0 HB2 LEU A 95 16.477 -15.770 10.479 1.00 0.25 H new ATOM 0 HB3 LEU A 95 15.890 -16.098 8.860 1.00 0.25 H new ATOM 0 HG LEU A 95 13.991 -17.353 10.501 1.00 0.27 H new ATOM 0 HD11 LEU A 95 13.342 -15.596 12.118 1.00 0.36 H new ATOM 0 HD12 LEU A 95 14.969 -16.225 12.473 1.00 0.36 H new ATOM 0 HD13 LEU A 95 14.781 -14.649 11.668 1.00 0.36 H new ATOM 0 HD21 LEU A 95 12.534 -15.483 9.755 1.00 0.31 H new ATOM 0 HD22 LEU A 95 13.975 -14.543 9.300 1.00 0.31 H new ATOM 0 HD23 LEU A 95 13.580 -16.044 8.429 1.00 0.31 H new ATOM 1270 N ASN A 96 15.836 -19.468 11.787 1.00 0.26 N ATOM 1271 CA ASN A 96 15.882 -19.963 13.202 1.00 0.29 C ATOM 1272 C ASN A 96 16.583 -21.323 13.262 1.00 0.32 C ATOM 1273 O ASN A 96 17.274 -21.633 14.214 1.00 0.38 O ATOM 1274 CB ASN A 96 14.424 -20.092 13.647 1.00 0.30 C ATOM 1275 CG ASN A 96 13.924 -18.740 14.158 1.00 0.33 C ATOM 1276 OD1 ASN A 96 13.064 -18.063 13.447 1.00 0.48 O flip ATOM 1277 ND2 ASN A 96 14.319 -18.294 15.216 1.00 0.31 N flip ATOM 0 H ASN A 96 15.346 -20.076 11.131 1.00 0.26 H new ATOM 0 HA ASN A 96 16.437 -19.285 13.850 1.00 0.29 H new ATOM 0 HB2 ASN A 96 13.807 -20.428 12.814 1.00 0.30 H new ATOM 0 HB3 ASN A 96 14.337 -20.844 14.432 1.00 0.30 H new ATOM 0 HD21 ASN A 96 14.991 -18.822 15.773 1.00 0.31 H new ATOM 0 HD22 ASN A 96 13.979 -17.392 15.548 1.00 0.31 H new ATOM 1738 N PRO B 43 11.849 -0.005 12.367 1.00 0.46 N ATOM 1739 CA PRO B 43 11.170 -1.196 11.813 1.00 0.43 C ATOM 1740 C PRO B 43 12.185 -2.211 11.277 1.00 0.37 C ATOM 1741 O PRO B 43 12.072 -3.398 11.522 1.00 0.42 O ATOM 1742 CB PRO B 43 10.339 -0.619 10.673 1.00 0.50 C ATOM 1743 CG PRO B 43 11.035 0.646 10.257 1.00 0.55 C ATOM 1744 CD PRO B 43 11.980 1.055 11.362 1.00 0.54 C ATOM 0 HA PRO B 43 10.578 -1.732 12.555 1.00 0.43 H new ATOM 0 HB2 PRO B 43 10.275 -1.321 9.842 1.00 0.50 H new ATOM 0 HB3 PRO B 43 9.319 -0.415 10.997 1.00 0.50 H new ATOM 0 HG2 PRO B 43 11.583 0.490 9.328 1.00 0.55 H new ATOM 0 HG3 PRO B 43 10.307 1.435 10.069 1.00 0.55 H new ATOM 0 HD2 PRO B 43 13.005 1.134 10.999 1.00 0.54 H new ATOM 0 HD3 PRO B 43 11.712 2.028 11.774 1.00 0.54 H new ATOM 1752 N LEU B 44 13.162 -1.751 10.534 1.00 0.34 N ATOM 1753 CA LEU B 44 14.188 -2.674 9.954 1.00 0.34 C ATOM 1754 C LEU B 44 13.513 -3.766 9.116 1.00 0.35 C ATOM 1755 O LEU B 44 14.092 -4.802 8.848 1.00 0.59 O ATOM 1756 CB LEU B 44 14.925 -3.290 11.146 1.00 0.39 C ATOM 1757 CG LEU B 44 16.160 -4.045 10.639 1.00 0.45 C ATOM 1758 CD1 LEU B 44 17.398 -3.592 11.418 1.00 0.69 C ATOM 1759 CD2 LEU B 44 15.962 -5.554 10.827 1.00 0.41 C ATOM 0 H LEU B 44 13.294 -0.766 10.302 1.00 0.34 H new ATOM 0 HA LEU B 44 14.874 -2.143 9.294 1.00 0.34 H new ATOM 0 HB2 LEU B 44 15.223 -2.510 11.847 1.00 0.39 H new ATOM 0 HB3 LEU B 44 14.265 -3.969 11.686 1.00 0.39 H new ATOM 0 HG LEU B 44 16.299 -3.829 9.580 1.00 0.45 H new ATOM 0 HD11 LEU B 44 18.273 -4.131 11.055 1.00 0.69 H new ATOM 0 HD12 LEU B 44 17.546 -2.521 11.276 1.00 0.69 H new ATOM 0 HD13 LEU B 44 17.257 -3.801 12.478 1.00 0.69 H new ATOM 0 HD21 LEU B 44 16.843 -6.084 10.465 1.00 0.41 H new ATOM 0 HD22 LEU B 44 15.816 -5.773 11.885 1.00 0.41 H new ATOM 0 HD23 LEU B 44 15.086 -5.879 10.265 1.00 0.41 H new ATOM 1771 N LYS B 45 12.296 -3.534 8.693 1.00 0.25 N ATOM 1772 CA LYS B 45 11.581 -4.547 7.862 1.00 0.26 C ATOM 1773 C LYS B 45 11.898 -4.317 6.384 1.00 0.26 C ATOM 1774 O LYS B 45 11.890 -5.235 5.593 1.00 0.30 O ATOM 1775 CB LYS B 45 10.091 -4.323 8.137 1.00 0.34 C ATOM 1776 CG LYS B 45 9.660 -2.947 7.616 1.00 0.43 C ATOM 1777 CD LYS B 45 8.155 -2.769 7.829 1.00 0.48 C ATOM 1778 CE LYS B 45 7.844 -2.767 9.327 1.00 0.45 C ATOM 1779 NZ LYS B 45 6.419 -2.343 9.424 1.00 0.39 N ATOM 0 H LYS B 45 11.766 -2.684 8.888 1.00 0.25 H new ATOM 0 HA LYS B 45 11.881 -5.567 8.103 1.00 0.26 H new ATOM 0 HB2 LYS B 45 9.503 -5.104 7.655 1.00 0.34 H new ATOM 0 HB3 LYS B 45 9.896 -4.393 9.207 1.00 0.34 H new ATOM 0 HG2 LYS B 45 10.207 -2.161 8.137 1.00 0.43 H new ATOM 0 HG3 LYS B 45 9.902 -2.855 6.557 1.00 0.43 H new ATOM 0 HD2 LYS B 45 7.822 -1.835 7.377 1.00 0.48 H new ATOM 0 HD3 LYS B 45 7.610 -3.574 7.336 1.00 0.48 H new ATOM 0 HE2 LYS B 45 7.992 -3.755 9.762 1.00 0.45 H new ATOM 0 HE3 LYS B 45 8.498 -2.080 9.865 1.00 0.45 H new ATOM 0 HZ1 LYS B 45 6.275 -1.810 10.305 1.00 0.39 H new ATOM 0 HZ2 LYS B 45 6.180 -1.740 8.611 1.00 0.39 H new ATOM 0 HZ3 LYS B 45 5.806 -3.183 9.423 1.00 0.39 H new ATOM 1793 N LEU B 46 12.171 -3.084 6.028 1.00 0.25 N ATOM 1794 CA LEU B 46 12.501 -2.715 4.611 1.00 0.27 C ATOM 1795 C LEU B 46 13.201 -3.863 3.861 1.00 0.27 C ATOM 1796 O LEU B 46 12.857 -4.180 2.734 1.00 0.33 O ATOM 1797 CB LEU B 46 13.452 -1.518 4.752 1.00 0.30 C ATOM 1798 CG LEU B 46 12.946 -0.334 3.921 1.00 0.40 C ATOM 1799 CD1 LEU B 46 12.787 -0.754 2.457 1.00 0.51 C ATOM 1800 CD2 LEU B 46 11.598 0.135 4.475 1.00 0.50 C ATOM 0 H LEU B 46 12.179 -2.297 6.677 1.00 0.25 H new ATOM 0 HA LEU B 46 11.603 -2.492 4.034 1.00 0.27 H new ATOM 0 HB2 LEU B 46 13.530 -1.228 5.800 1.00 0.30 H new ATOM 0 HB3 LEU B 46 14.453 -1.800 4.424 1.00 0.30 H new ATOM 0 HG LEU B 46 13.667 0.482 3.978 1.00 0.40 H new ATOM 0 HD11 LEU B 46 12.427 0.093 1.873 1.00 0.51 H new ATOM 0 HD12 LEU B 46 13.750 -1.082 2.066 1.00 0.51 H new ATOM 0 HD13 LEU B 46 12.070 -1.573 2.389 1.00 0.51 H new ATOM 0 HD21 LEU B 46 11.236 0.977 3.886 1.00 0.50 H new ATOM 0 HD22 LEU B 46 10.878 -0.682 4.421 1.00 0.50 H new ATOM 0 HD23 LEU B 46 11.719 0.444 5.513 1.00 0.50 H new ATOM 1812 N PHE B 47 14.171 -4.490 4.481 1.00 0.26 N ATOM 1813 CA PHE B 47 14.888 -5.611 3.809 1.00 0.28 C ATOM 1814 C PHE B 47 13.968 -6.826 3.714 1.00 0.28 C ATOM 1815 O PHE B 47 13.738 -7.361 2.645 1.00 0.31 O ATOM 1816 CB PHE B 47 16.096 -5.908 4.704 1.00 0.29 C ATOM 1817 CG PHE B 47 16.673 -7.258 4.345 1.00 0.30 C ATOM 1818 CD1 PHE B 47 16.917 -7.579 3.004 1.00 0.36 C ATOM 1819 CD2 PHE B 47 16.951 -8.191 5.350 1.00 0.33 C ATOM 1820 CE1 PHE B 47 17.439 -8.831 2.670 1.00 0.42 C ATOM 1821 CE2 PHE B 47 17.473 -9.445 5.016 1.00 0.39 C ATOM 1822 CZ PHE B 47 17.717 -9.766 3.675 1.00 0.42 C ATOM 0 H PHE B 47 14.495 -4.272 5.423 1.00 0.26 H new ATOM 0 HA PHE B 47 15.196 -5.363 2.793 1.00 0.28 H new ATOM 0 HB2 PHE B 47 16.853 -5.133 4.580 1.00 0.29 H new ATOM 0 HB3 PHE B 47 15.797 -5.896 5.752 1.00 0.29 H new ATOM 0 HD1 PHE B 47 16.702 -6.859 2.228 1.00 0.36 H new ATOM 0 HD2 PHE B 47 16.762 -7.943 6.384 1.00 0.33 H new ATOM 0 HE1 PHE B 47 17.628 -9.078 1.636 1.00 0.42 H new ATOM 0 HE2 PHE B 47 17.688 -10.165 5.792 1.00 0.39 H new ATOM 0 HZ PHE B 47 18.119 -10.734 3.416 1.00 0.42 H new ATOM 1832 N MET B 48 13.444 -7.260 4.829 1.00 0.29 N ATOM 1833 CA MET B 48 12.534 -8.440 4.824 1.00 0.33 C ATOM 1834 C MET B 48 11.355 -8.186 3.888 1.00 0.33 C ATOM 1835 O MET B 48 10.989 -9.032 3.102 1.00 0.39 O ATOM 1836 CB MET B 48 12.052 -8.582 6.270 1.00 0.39 C ATOM 1837 CG MET B 48 12.452 -9.958 6.804 1.00 0.53 C ATOM 1838 SD MET B 48 13.407 -9.771 8.327 1.00 0.44 S ATOM 1839 CE MET B 48 14.899 -9.105 7.555 1.00 0.41 C ATOM 0 H MET B 48 13.608 -6.846 5.746 1.00 0.29 H new ATOM 0 HA MET B 48 13.032 -9.344 4.474 1.00 0.33 H new ATOM 0 HB2 MET B 48 12.488 -7.798 6.889 1.00 0.39 H new ATOM 0 HB3 MET B 48 10.970 -8.461 6.318 1.00 0.39 H new ATOM 0 HG2 MET B 48 11.562 -10.557 6.994 1.00 0.53 H new ATOM 0 HG3 MET B 48 13.041 -10.490 6.058 1.00 0.53 H new ATOM 0 HE1 MET B 48 15.679 -8.991 8.308 1.00 0.41 H new ATOM 0 HE2 MET B 48 15.242 -9.788 6.778 1.00 0.41 H new ATOM 0 HE3 MET B 48 14.677 -8.134 7.112 1.00 0.41 H new ATOM 1849 N ALA B 49 10.770 -7.021 3.969 1.00 0.33 N ATOM 1850 CA ALA B 49 9.612 -6.685 3.088 1.00 0.36 C ATOM 1851 C ALA B 49 9.983 -6.884 1.616 1.00 0.35 C ATOM 1852 O ALA B 49 9.213 -7.425 0.843 1.00 0.41 O ATOM 1853 CB ALA B 49 9.317 -5.212 3.372 1.00 0.41 C ATOM 0 H ALA B 49 11.047 -6.281 4.614 1.00 0.33 H new ATOM 0 HA ALA B 49 8.749 -7.322 3.282 1.00 0.36 H new ATOM 0 HB1 ALA B 49 8.475 -4.885 2.762 1.00 0.41 H new ATOM 0 HB2 ALA B 49 9.071 -5.087 4.426 1.00 0.41 H new ATOM 0 HB3 ALA B 49 10.194 -4.612 3.131 1.00 0.41 H new ATOM 1859 N LEU B 50 11.153 -6.444 1.220 1.00 0.34 N ATOM 1860 CA LEU B 50 11.565 -6.603 -0.209 1.00 0.37 C ATOM 1861 C LEU B 50 11.887 -8.069 -0.532 1.00 0.37 C ATOM 1862 O LEU B 50 11.333 -8.639 -1.456 1.00 0.42 O ATOM 1863 CB LEU B 50 12.811 -5.733 -0.366 1.00 0.40 C ATOM 1864 CG LEU B 50 12.799 -5.084 -1.750 1.00 0.48 C ATOM 1865 CD1 LEU B 50 11.755 -3.966 -1.781 1.00 0.62 C ATOM 1866 CD2 LEU B 50 14.180 -4.500 -2.049 1.00 0.63 C ATOM 0 H LEU B 50 11.837 -5.984 1.821 1.00 0.34 H new ATOM 0 HA LEU B 50 10.768 -6.306 -0.891 1.00 0.37 H new ATOM 0 HB2 LEU B 50 12.834 -4.966 0.408 1.00 0.40 H new ATOM 0 HB3 LEU B 50 13.709 -6.338 -0.242 1.00 0.40 H new ATOM 0 HG LEU B 50 12.550 -5.834 -2.501 1.00 0.48 H new ATOM 0 HD11 LEU B 50 11.747 -3.503 -2.768 1.00 0.62 H new ATOM 0 HD12 LEU B 50 10.770 -4.382 -1.567 1.00 0.62 H new ATOM 0 HD13 LEU B 50 12.003 -3.215 -1.031 1.00 0.62 H new ATOM 0 HD21 LEU B 50 14.173 -4.037 -3.036 1.00 0.63 H new ATOM 0 HD22 LEU B 50 14.428 -3.750 -1.298 1.00 0.63 H new ATOM 0 HD23 LEU B 50 14.924 -5.296 -2.027 1.00 0.63 H new ATOM 1878 N VAL B 51 12.778 -8.683 0.209 1.00 0.34 N ATOM 1879 CA VAL B 51 13.131 -10.105 -0.074 1.00 0.35 C ATOM 1880 C VAL B 51 11.886 -10.996 0.067 1.00 0.35 C ATOM 1881 O VAL B 51 11.662 -11.880 -0.738 1.00 0.39 O ATOM 1882 CB VAL B 51 14.216 -10.460 0.957 1.00 0.34 C ATOM 1883 CG1 VAL B 51 14.302 -11.975 1.135 1.00 0.44 C ATOM 1884 CG2 VAL B 51 15.569 -9.934 0.467 1.00 0.49 C ATOM 0 H VAL B 51 13.273 -8.261 0.994 1.00 0.34 H new ATOM 0 HA VAL B 51 13.495 -10.257 -1.090 1.00 0.35 H new ATOM 0 HB VAL B 51 13.960 -10.003 1.913 1.00 0.34 H new ATOM 0 HG11 VAL B 51 15.074 -12.212 1.867 1.00 0.44 H new ATOM 0 HG12 VAL B 51 13.342 -12.355 1.484 1.00 0.44 H new ATOM 0 HG13 VAL B 51 14.552 -12.440 0.181 1.00 0.44 H new ATOM 0 HG21 VAL B 51 16.341 -10.183 1.195 1.00 0.49 H new ATOM 0 HG22 VAL B 51 15.812 -10.392 -0.492 1.00 0.49 H new ATOM 0 HG23 VAL B 51 15.517 -8.852 0.349 1.00 0.49 H new ATOM 1894 N ALA B 52 11.073 -10.766 1.071 1.00 0.33 N ATOM 1895 CA ALA B 52 9.841 -11.602 1.245 1.00 0.33 C ATOM 1896 C ALA B 52 8.940 -11.458 0.020 1.00 0.34 C ATOM 1897 O ALA B 52 8.470 -12.438 -0.529 1.00 0.35 O ATOM 1898 CB ALA B 52 9.138 -11.057 2.488 1.00 0.35 C ATOM 0 H ALA B 52 11.208 -10.040 1.774 1.00 0.33 H new ATOM 0 HA ALA B 52 10.080 -12.660 1.355 1.00 0.33 H new ATOM 0 HB1 ALA B 52 8.227 -11.627 2.670 1.00 0.35 H new ATOM 0 HB2 ALA B 52 9.800 -11.146 3.349 1.00 0.35 H new ATOM 0 HB3 ALA B 52 8.885 -10.008 2.332 1.00 0.35 H new ATOM 1904 N PHE B 53 8.709 -10.241 -0.418 1.00 0.39 N ATOM 1905 CA PHE B 53 7.853 -10.016 -1.625 1.00 0.43 C ATOM 1906 C PHE B 53 8.354 -10.910 -2.761 1.00 0.43 C ATOM 1907 O PHE B 53 7.625 -11.726 -3.303 1.00 0.44 O ATOM 1908 CB PHE B 53 8.041 -8.530 -1.961 1.00 0.50 C ATOM 1909 CG PHE B 53 7.515 -8.236 -3.347 1.00 0.58 C ATOM 1910 CD1 PHE B 53 6.136 -8.233 -3.589 1.00 0.65 C ATOM 1911 CD2 PHE B 53 8.409 -7.965 -4.389 1.00 0.68 C ATOM 1912 CE1 PHE B 53 5.653 -7.957 -4.874 1.00 0.77 C ATOM 1913 CE2 PHE B 53 7.927 -7.690 -5.673 1.00 0.79 C ATOM 1914 CZ PHE B 53 6.549 -7.686 -5.916 1.00 0.82 C ATOM 0 H PHE B 53 9.078 -9.393 0.011 1.00 0.39 H new ATOM 0 HA PHE B 53 6.802 -10.256 -1.466 1.00 0.43 H new ATOM 0 HB2 PHE B 53 7.518 -7.915 -1.228 1.00 0.50 H new ATOM 0 HB3 PHE B 53 9.097 -8.267 -1.902 1.00 0.50 H new ATOM 0 HD1 PHE B 53 5.446 -8.443 -2.786 1.00 0.65 H new ATOM 0 HD2 PHE B 53 9.473 -7.968 -4.202 1.00 0.68 H new ATOM 0 HE1 PHE B 53 4.589 -7.953 -5.062 1.00 0.77 H new ATOM 0 HE2 PHE B 53 8.618 -7.481 -6.476 1.00 0.79 H new ATOM 0 HZ PHE B 53 6.176 -7.474 -6.907 1.00 0.82 H new ATOM 1924 N LEU B 54 9.609 -10.789 -3.095 1.00 0.46 N ATOM 1925 CA LEU B 54 10.177 -11.652 -4.164 1.00 0.50 C ATOM 1926 C LEU B 54 10.039 -13.115 -3.733 1.00 0.45 C ATOM 1927 O LEU B 54 9.744 -13.981 -4.532 1.00 0.50 O ATOM 1928 CB LEU B 54 11.649 -11.246 -4.272 1.00 0.56 C ATOM 1929 CG LEU B 54 11.747 -9.757 -4.612 1.00 0.66 C ATOM 1930 CD1 LEU B 54 13.166 -9.263 -4.328 1.00 0.70 C ATOM 1931 CD2 LEU B 54 11.420 -9.550 -6.093 1.00 0.82 C ATOM 0 H LEU B 54 10.264 -10.130 -2.674 1.00 0.46 H new ATOM 0 HA LEU B 54 9.672 -11.539 -5.123 1.00 0.50 H new ATOM 0 HB2 LEU B 54 12.163 -11.449 -3.332 1.00 0.56 H new ATOM 0 HB3 LEU B 54 12.145 -11.838 -5.041 1.00 0.56 H new ATOM 0 HG LEU B 54 11.038 -9.196 -4.002 1.00 0.66 H new ATOM 0 HD11 LEU B 54 13.237 -8.203 -4.570 1.00 0.70 H new ATOM 0 HD12 LEU B 54 13.399 -9.411 -3.273 1.00 0.70 H new ATOM 0 HD13 LEU B 54 13.875 -9.823 -4.938 1.00 0.70 H new ATOM 0 HD21 LEU B 54 11.489 -8.490 -6.336 1.00 0.82 H new ATOM 0 HD22 LEU B 54 12.129 -10.110 -6.704 1.00 0.82 H new ATOM 0 HD23 LEU B 54 10.409 -9.903 -6.295 1.00 0.82 H new ATOM 1943 N ARG B 55 10.225 -13.381 -2.461 1.00 0.40 N ATOM 1944 CA ARG B 55 10.088 -14.779 -1.947 1.00 0.40 C ATOM 1945 C ARG B 55 8.630 -15.243 -2.039 1.00 0.36 C ATOM 1946 O ARG B 55 8.329 -16.408 -1.861 1.00 0.40 O ATOM 1947 CB ARG B 55 10.539 -14.719 -0.486 1.00 0.40 C ATOM 1948 CG ARG B 55 10.841 -16.135 0.016 1.00 0.43 C ATOM 1949 CD ARG B 55 9.692 -16.624 0.902 1.00 0.68 C ATOM 1950 NE ARG B 55 9.878 -18.099 0.995 1.00 0.72 N ATOM 1951 CZ ARG B 55 8.898 -18.855 1.407 1.00 0.68 C ATOM 1952 NH1 ARG B 55 8.472 -18.758 2.636 1.00 0.62 N ATOM 1953 NH2 ARG B 55 8.346 -19.710 0.591 1.00 0.84 N ATOM 0 H ARG B 55 10.467 -12.686 -1.755 1.00 0.40 H new ATOM 0 HA ARG B 55 10.682 -15.485 -2.527 1.00 0.40 H new ATOM 0 HB2 ARG B 55 11.426 -14.092 -0.394 1.00 0.40 H new ATOM 0 HB3 ARG B 55 9.762 -14.263 0.127 1.00 0.40 H new ATOM 0 HG2 ARG B 55 10.974 -16.810 -0.829 1.00 0.43 H new ATOM 0 HG3 ARG B 55 11.775 -16.141 0.579 1.00 0.43 H new ATOM 0 HD2 ARG B 55 9.728 -16.159 1.887 1.00 0.68 H new ATOM 0 HD3 ARG B 55 8.724 -16.375 0.467 1.00 0.68 H new ATOM 0 HE ARG B 55 10.771 -18.518 0.737 1.00 0.72 H new ATOM 0 HH11 ARG B 55 8.905 -18.091 3.275 1.00 0.62 H new ATOM 0 HH12 ARG B 55 7.706 -19.349 2.958 1.00 0.62 H new ATOM 0 HH21 ARG B 55 8.681 -19.788 -0.369 1.00 0.84 H new ATOM 0 HH22 ARG B 55 7.580 -20.301 0.913 1.00 0.84 H new ATOM 1967 N PHE B 56 7.722 -14.343 -2.315 1.00 0.35 N ATOM 1968 CA PHE B 56 6.290 -14.739 -2.421 1.00 0.34 C ATOM 1969 C PHE B 56 5.903 -14.919 -3.890 1.00 0.39 C ATOM 1970 O PHE B 56 4.932 -15.583 -4.203 1.00 0.40 O ATOM 1971 CB PHE B 56 5.506 -13.580 -1.802 1.00 0.32 C ATOM 1972 CG PHE B 56 5.359 -13.798 -0.312 1.00 0.39 C ATOM 1973 CD1 PHE B 56 6.447 -14.249 0.450 1.00 0.49 C ATOM 1974 CD2 PHE B 56 4.131 -13.544 0.307 1.00 1.15 C ATOM 1975 CE1 PHE B 56 6.303 -14.446 1.827 1.00 0.45 C ATOM 1976 CE2 PHE B 56 3.990 -13.741 1.686 1.00 1.45 C ATOM 1977 CZ PHE B 56 5.075 -14.192 2.446 1.00 0.93 C ATOM 0 H PHE B 56 7.912 -13.353 -2.471 1.00 0.35 H new ATOM 0 HA PHE B 56 6.086 -15.683 -1.916 1.00 0.34 H new ATOM 0 HB2 PHE B 56 6.021 -12.638 -1.992 1.00 0.32 H new ATOM 0 HB3 PHE B 56 4.523 -13.505 -2.266 1.00 0.32 H new ATOM 0 HD1 PHE B 56 7.396 -14.444 -0.027 1.00 0.49 H new ATOM 0 HD2 PHE B 56 3.292 -13.196 -0.278 1.00 1.15 H new ATOM 0 HE1 PHE B 56 7.141 -14.795 2.413 1.00 0.45 H new ATOM 0 HE2 PHE B 56 3.042 -13.544 2.164 1.00 1.45 H new ATOM 0 HZ PHE B 56 4.964 -14.344 3.510 1.00 0.93 H new ATOM 1987 N LEU B 57 6.641 -14.316 -4.792 1.00 0.47 N ATOM 1988 CA LEU B 57 6.292 -14.440 -6.242 1.00 0.57 C ATOM 1989 C LEU B 57 7.249 -15.385 -6.986 1.00 0.71 C ATOM 1990 O LEU B 57 6.828 -16.129 -7.853 1.00 0.83 O ATOM 1991 CB LEU B 57 6.403 -13.020 -6.804 1.00 0.65 C ATOM 1992 CG LEU B 57 5.726 -12.025 -5.852 1.00 0.58 C ATOM 1993 CD1 LEU B 57 5.792 -10.617 -6.448 1.00 0.75 C ATOM 1994 CD2 LEU B 57 4.261 -12.425 -5.633 1.00 0.54 C ATOM 0 H LEU B 57 7.463 -13.748 -4.589 1.00 0.47 H new ATOM 0 HA LEU B 57 5.296 -14.864 -6.368 1.00 0.57 H new ATOM 0 HB2 LEU B 57 7.452 -12.753 -6.937 1.00 0.65 H new ATOM 0 HB3 LEU B 57 5.935 -12.971 -7.787 1.00 0.65 H new ATOM 0 HG LEU B 57 6.246 -12.037 -4.894 1.00 0.58 H new ATOM 0 HD11 LEU B 57 5.311 -9.912 -5.770 1.00 0.75 H new ATOM 0 HD12 LEU B 57 6.834 -10.330 -6.590 1.00 0.75 H new ATOM 0 HD13 LEU B 57 5.278 -10.604 -7.409 1.00 0.75 H new ATOM 0 HD21 LEU B 57 3.787 -11.714 -4.956 1.00 0.54 H new ATOM 0 HD22 LEU B 57 3.736 -12.422 -6.588 1.00 0.54 H new ATOM 0 HD23 LEU B 57 4.218 -13.424 -5.199 1.00 0.54 H new ATOM 2006 N THR B 58 8.526 -15.354 -6.684 1.00 0.74 N ATOM 2007 CA THR B 58 9.482 -16.248 -7.418 1.00 0.91 C ATOM 2008 C THR B 58 10.628 -16.746 -6.521 1.00 0.86 C ATOM 2009 O THR B 58 11.392 -17.607 -6.916 1.00 0.95 O ATOM 2010 CB THR B 58 10.033 -15.370 -8.542 1.00 1.02 C ATOM 2011 OG1 THR B 58 8.958 -14.897 -9.342 1.00 1.05 O ATOM 2012 CG2 THR B 58 10.991 -16.187 -9.405 1.00 1.29 C ATOM 0 H THR B 58 8.945 -14.757 -5.971 1.00 0.74 H new ATOM 0 HA THR B 58 8.984 -17.149 -7.777 1.00 0.91 H new ATOM 0 HB THR B 58 10.567 -14.522 -8.113 1.00 1.02 H new ATOM 0 HG1 THR B 58 9.310 -14.333 -10.062 1.00 1.05 H new ATOM 0 HG21 THR B 58 11.383 -15.561 -10.206 1.00 1.29 H new ATOM 0 HG22 THR B 58 11.815 -16.549 -8.791 1.00 1.29 H new ATOM 0 HG23 THR B 58 10.459 -17.036 -9.835 1.00 1.29 H new ATOM 2020 N ILE B 59 10.757 -16.217 -5.330 1.00 0.75 N ATOM 2021 CA ILE B 59 11.853 -16.654 -4.407 1.00 0.73 C ATOM 2022 C ILE B 59 13.231 -16.567 -5.091 1.00 0.76 C ATOM 2023 O ILE B 59 13.894 -17.570 -5.278 1.00 0.85 O ATOM 2024 CB ILE B 59 11.518 -18.104 -4.030 1.00 0.81 C ATOM 2025 CG1 ILE B 59 10.198 -18.141 -3.255 1.00 0.85 C ATOM 2026 CG2 ILE B 59 12.634 -18.677 -3.145 1.00 0.83 C ATOM 2027 CD1 ILE B 59 9.021 -18.085 -4.231 1.00 0.85 C ATOM 0 H ILE B 59 10.144 -15.494 -4.953 1.00 0.75 H new ATOM 0 HA ILE B 59 11.913 -16.011 -3.529 1.00 0.73 H new ATOM 0 HB ILE B 59 11.428 -18.698 -4.939 1.00 0.81 H new ATOM 0 HG12 ILE B 59 10.143 -19.050 -2.656 1.00 0.85 H new ATOM 0 HG13 ILE B 59 10.149 -17.300 -2.563 1.00 0.85 H new ATOM 0 HG21 ILE B 59 12.395 -19.706 -2.878 1.00 0.83 H new ATOM 0 HG22 ILE B 59 13.578 -18.653 -3.689 1.00 0.83 H new ATOM 0 HG23 ILE B 59 12.723 -18.079 -2.238 1.00 0.83 H new ATOM 0 HD11 ILE B 59 8.085 -18.112 -3.674 1.00 0.85 H new ATOM 0 HD12 ILE B 59 9.072 -17.163 -4.810 1.00 0.85 H new ATOM 0 HD13 ILE B 59 9.066 -18.940 -4.905 1.00 0.85 H new ATOM 2039 N PRO B 60 13.625 -15.362 -5.430 1.00 0.72 N ATOM 2040 CA PRO B 60 14.933 -15.112 -6.062 1.00 0.76 C ATOM 2041 C PRO B 60 15.925 -14.488 -5.046 1.00 0.66 C ATOM 2042 O PRO B 60 16.397 -13.386 -5.261 1.00 0.63 O ATOM 2043 CB PRO B 60 14.554 -14.073 -7.119 1.00 0.83 C ATOM 2044 CG PRO B 60 13.318 -13.386 -6.579 1.00 0.77 C ATOM 2045 CD PRO B 60 12.899 -14.111 -5.315 1.00 0.67 C ATOM 0 HA PRO B 60 15.420 -16.008 -6.448 1.00 0.76 H new ATOM 0 HB2 PRO B 60 15.363 -13.360 -7.277 1.00 0.83 H new ATOM 0 HB3 PRO B 60 14.353 -14.545 -8.081 1.00 0.83 H new ATOM 0 HG2 PRO B 60 13.526 -12.337 -6.367 1.00 0.77 H new ATOM 0 HG3 PRO B 60 12.515 -13.409 -7.316 1.00 0.77 H new ATOM 0 HD2 PRO B 60 13.177 -13.559 -4.417 1.00 0.67 H new ATOM 0 HD3 PRO B 60 11.821 -14.267 -5.272 1.00 0.67 H new ATOM 2053 N PRO B 61 16.214 -15.188 -3.965 1.00 0.63 N ATOM 2054 CA PRO B 61 17.149 -14.635 -2.953 1.00 0.55 C ATOM 2055 C PRO B 61 18.579 -14.652 -3.491 1.00 0.51 C ATOM 2056 O PRO B 61 19.214 -15.688 -3.561 1.00 0.53 O ATOM 2057 CB PRO B 61 17.003 -15.573 -1.764 1.00 0.59 C ATOM 2058 CG PRO B 61 16.528 -16.860 -2.347 1.00 0.68 C ATOM 2059 CD PRO B 61 15.729 -16.518 -3.580 1.00 0.71 C ATOM 0 HA PRO B 61 16.931 -13.599 -2.692 1.00 0.55 H new ATOM 0 HB2 PRO B 61 17.952 -15.702 -1.243 1.00 0.59 H new ATOM 0 HB3 PRO B 61 16.291 -15.182 -1.037 1.00 0.59 H new ATOM 0 HG2 PRO B 61 17.371 -17.503 -2.600 1.00 0.68 H new ATOM 0 HG3 PRO B 61 15.915 -17.405 -1.629 1.00 0.68 H new ATOM 0 HD2 PRO B 61 15.891 -17.246 -4.374 1.00 0.71 H new ATOM 0 HD3 PRO B 61 14.659 -16.507 -3.371 1.00 0.71 H new ATOM 2067 N THR B 62 19.085 -13.511 -3.877 1.00 0.50 N ATOM 2068 CA THR B 62 20.472 -13.441 -4.422 1.00 0.47 C ATOM 2069 C THR B 62 21.481 -13.977 -3.394 1.00 0.45 C ATOM 2070 O THR B 62 21.125 -14.304 -2.278 1.00 0.47 O ATOM 2071 CB THR B 62 20.698 -11.953 -4.718 1.00 0.49 C ATOM 2072 OG1 THR B 62 21.905 -11.797 -5.437 1.00 0.57 O ATOM 2073 CG2 THR B 62 20.772 -11.149 -3.417 1.00 0.45 C ATOM 0 H THR B 62 18.593 -12.618 -3.838 1.00 0.50 H new ATOM 0 HA THR B 62 20.606 -14.051 -5.315 1.00 0.47 H new ATOM 0 HB THR B 62 19.861 -11.582 -5.310 1.00 0.49 H new ATOM 0 HG1 THR B 62 22.051 -10.847 -5.629 1.00 0.57 H new ATOM 0 HG21 THR B 62 20.933 -10.096 -3.649 1.00 0.45 H new ATOM 0 HG22 THR B 62 19.838 -11.261 -2.866 1.00 0.45 H new ATOM 0 HG23 THR B 62 21.598 -11.517 -2.808 1.00 0.45 H new ATOM 2081 N ALA B 63 22.732 -14.076 -3.771 1.00 0.46 N ATOM 2082 CA ALA B 63 23.772 -14.602 -2.831 1.00 0.46 C ATOM 2083 C ALA B 63 23.810 -13.787 -1.533 1.00 0.44 C ATOM 2084 O ALA B 63 24.225 -14.278 -0.500 1.00 0.46 O ATOM 2085 CB ALA B 63 25.097 -14.458 -3.581 1.00 0.51 C ATOM 0 H ALA B 63 23.080 -13.814 -4.693 1.00 0.46 H new ATOM 0 HA ALA B 63 23.565 -15.633 -2.544 1.00 0.46 H new ATOM 0 HB1 ALA B 63 25.911 -14.824 -2.955 1.00 0.51 H new ATOM 0 HB2 ALA B 63 25.059 -15.039 -4.502 1.00 0.51 H new ATOM 0 HB3 ALA B 63 25.267 -13.408 -3.821 1.00 0.51 H new ATOM 2091 N GLY B 64 23.395 -12.548 -1.580 1.00 0.41 N ATOM 2092 CA GLY B 64 23.424 -11.700 -0.351 1.00 0.39 C ATOM 2093 C GLY B 64 22.347 -12.152 0.635 1.00 0.36 C ATOM 2094 O GLY B 64 22.611 -12.331 1.801 1.00 0.37 O ATOM 0 H GLY B 64 23.037 -12.086 -2.416 1.00 0.41 H new ATOM 0 HA2 GLY B 64 24.406 -11.763 0.119 1.00 0.39 H new ATOM 0 HA3 GLY B 64 23.265 -10.655 -0.619 1.00 0.39 H new ATOM 2098 N ILE B 65 21.137 -12.321 0.176 1.00 0.38 N ATOM 2099 CA ILE B 65 20.023 -12.748 1.083 1.00 0.37 C ATOM 2100 C ILE B 65 20.430 -13.972 1.907 1.00 0.38 C ATOM 2101 O ILE B 65 20.086 -14.084 3.067 1.00 0.40 O ATOM 2102 CB ILE B 65 18.850 -13.092 0.152 1.00 0.39 C ATOM 2103 CG1 ILE B 65 18.540 -11.910 -0.782 1.00 0.43 C ATOM 2104 CG2 ILE B 65 17.607 -13.407 0.989 1.00 0.39 C ATOM 2105 CD1 ILE B 65 18.680 -10.589 -0.021 1.00 0.42 C ATOM 0 H ILE B 65 20.866 -12.181 -0.797 1.00 0.38 H new ATOM 0 HA ILE B 65 19.763 -11.966 1.796 1.00 0.37 H new ATOM 0 HB ILE B 65 19.125 -13.959 -0.449 1.00 0.39 H new ATOM 0 HG12 ILE B 65 19.219 -11.922 -1.634 1.00 0.43 H new ATOM 0 HG13 ILE B 65 17.529 -12.005 -1.179 1.00 0.43 H new ATOM 0 HG21 ILE B 65 16.775 -13.651 0.328 1.00 0.39 H new ATOM 0 HG22 ILE B 65 17.813 -14.256 1.641 1.00 0.39 H new ATOM 0 HG23 ILE B 65 17.347 -12.539 1.595 1.00 0.39 H new ATOM 0 HD11 ILE B 65 18.459 -9.758 -0.691 1.00 0.42 H new ATOM 0 HD12 ILE B 65 17.982 -10.576 0.816 1.00 0.42 H new ATOM 0 HD13 ILE B 65 19.699 -10.491 0.354 1.00 0.42 H new ATOM 2117 N LEU B 66 21.166 -14.880 1.320 1.00 0.41 N ATOM 2118 CA LEU B 66 21.596 -16.096 2.072 1.00 0.44 C ATOM 2119 C LEU B 66 22.837 -15.786 2.913 1.00 0.43 C ATOM 2120 O LEU B 66 22.859 -16.023 4.106 1.00 0.46 O ATOM 2121 CB LEU B 66 21.920 -17.150 1.001 1.00 0.51 C ATOM 2122 CG LEU B 66 20.640 -17.668 0.312 1.00 0.54 C ATOM 2123 CD1 LEU B 66 19.439 -17.616 1.264 1.00 0.64 C ATOM 2124 CD2 LEU B 66 20.341 -16.818 -0.926 1.00 0.58 C ATOM 0 H LEU B 66 21.488 -14.832 0.353 1.00 0.41 H new ATOM 0 HA LEU B 66 20.824 -16.445 2.758 1.00 0.44 H new ATOM 0 HB2 LEU B 66 22.587 -16.719 0.255 1.00 0.51 H new ATOM 0 HB3 LEU B 66 22.451 -17.984 1.459 1.00 0.51 H new ATOM 0 HG LEU B 66 20.807 -18.705 0.022 1.00 0.54 H new ATOM 0 HD11 LEU B 66 18.552 -17.987 0.751 1.00 0.64 H new ATOM 0 HD12 LEU B 66 19.640 -18.237 2.137 1.00 0.64 H new ATOM 0 HD13 LEU B 66 19.271 -16.587 1.582 1.00 0.64 H new ATOM 0 HD21 LEU B 66 19.437 -17.186 -1.410 1.00 0.58 H new ATOM 0 HD22 LEU B 66 20.196 -15.780 -0.628 1.00 0.58 H new ATOM 0 HD23 LEU B 66 21.177 -16.882 -1.622 1.00 0.58 H new ATOM 2136 N LYS B 67 23.865 -15.253 2.301 1.00 0.44 N ATOM 2137 CA LYS B 67 25.108 -14.919 3.064 1.00 0.45 C ATOM 2138 C LYS B 67 24.773 -13.959 4.206 1.00 0.42 C ATOM 2139 O LYS B 67 25.370 -14.002 5.265 1.00 0.48 O ATOM 2140 CB LYS B 67 26.027 -14.238 2.051 1.00 0.46 C ATOM 2141 CG LYS B 67 26.773 -15.301 1.246 1.00 0.60 C ATOM 2142 CD LYS B 67 27.890 -15.899 2.106 1.00 0.72 C ATOM 2143 CE LYS B 67 28.947 -14.828 2.394 1.00 0.74 C ATOM 2144 NZ LYS B 67 29.079 -14.804 3.878 1.00 0.94 N ATOM 0 H LYS B 67 23.898 -15.034 1.305 1.00 0.44 H new ATOM 0 HA LYS B 67 25.573 -15.800 3.506 1.00 0.45 H new ATOM 0 HB2 LYS B 67 25.444 -13.604 1.384 1.00 0.46 H new ATOM 0 HB3 LYS B 67 26.737 -13.591 2.566 1.00 0.46 H new ATOM 0 HG2 LYS B 67 26.084 -16.084 0.930 1.00 0.60 H new ATOM 0 HG3 LYS B 67 27.192 -14.861 0.341 1.00 0.60 H new ATOM 0 HD2 LYS B 67 27.479 -16.279 3.041 1.00 0.72 H new ATOM 0 HD3 LYS B 67 28.346 -16.745 1.591 1.00 0.72 H new ATOM 0 HE2 LYS B 67 29.896 -15.073 1.917 1.00 0.74 H new ATOM 0 HE3 LYS B 67 28.638 -13.856 2.010 1.00 0.74 H new ATOM 0 HZ1 LYS B 67 29.787 -14.093 4.152 1.00 0.94 H new ATOM 0 HZ2 LYS B 67 28.162 -14.562 4.304 1.00 0.94 H new ATOM 0 HZ3 LYS B 67 29.381 -15.741 4.215 1.00 0.94 H new ATOM 2158 N ARG B 68 23.813 -13.100 3.990 1.00 0.37 N ATOM 2159 CA ARG B 68 23.410 -12.131 5.044 1.00 0.36 C ATOM 2160 C ARG B 68 22.396 -12.790 5.989 1.00 0.34 C ATOM 2161 O ARG B 68 22.263 -12.407 7.135 1.00 0.37 O ATOM 2162 CB ARG B 68 22.814 -10.937 4.276 1.00 0.36 C ATOM 2163 CG ARG B 68 21.314 -11.122 4.040 1.00 0.36 C ATOM 2164 CD ARG B 68 20.813 -10.000 3.126 1.00 0.37 C ATOM 2165 NE ARG B 68 20.646 -8.822 4.023 1.00 0.36 N ATOM 2166 CZ ARG B 68 21.649 -8.013 4.233 1.00 0.37 C ATOM 2167 NH1 ARG B 68 22.377 -7.601 3.232 1.00 0.48 N ATOM 2168 NH2 ARG B 68 21.923 -7.615 5.446 1.00 0.49 N ATOM 0 H ARG B 68 23.287 -13.030 3.119 1.00 0.37 H new ATOM 0 HA ARG B 68 24.238 -11.806 5.674 1.00 0.36 H new ATOM 0 HB2 ARG B 68 22.986 -10.018 4.837 1.00 0.36 H new ATOM 0 HB3 ARG B 68 23.324 -10.826 3.319 1.00 0.36 H new ATOM 0 HG2 ARG B 68 21.121 -12.093 3.585 1.00 0.36 H new ATOM 0 HG3 ARG B 68 20.778 -11.103 4.989 1.00 0.36 H new ATOM 0 HD2 ARG B 68 21.526 -9.792 2.329 1.00 0.37 H new ATOM 0 HD3 ARG B 68 19.871 -10.270 2.649 1.00 0.37 H new ATOM 0 HE ARG B 68 19.748 -8.648 4.473 1.00 0.36 H new ATOM 0 HH11 ARG B 68 22.163 -7.911 2.284 1.00 0.48 H new ATOM 0 HH12 ARG B 68 23.160 -6.969 3.397 1.00 0.48 H new ATOM 0 HH21 ARG B 68 21.354 -7.936 6.229 1.00 0.49 H new ATOM 0 HH22 ARG B 68 22.706 -6.983 5.611 1.00 0.49 H new ATOM 2182 N TRP B 69 21.695 -13.790 5.509 1.00 0.34 N ATOM 2183 CA TRP B 69 20.692 -14.510 6.357 1.00 0.33 C ATOM 2184 C TRP B 69 21.310 -14.956 7.688 1.00 0.35 C ATOM 2185 O TRP B 69 20.652 -14.963 8.711 1.00 0.40 O ATOM 2186 CB TRP B 69 20.324 -15.743 5.536 1.00 0.34 C ATOM 2187 CG TRP B 69 18.936 -16.190 5.855 1.00 0.31 C ATOM 2188 CD1 TRP B 69 18.614 -17.430 6.283 1.00 0.32 C ATOM 2189 CD2 TRP B 69 17.682 -15.447 5.768 1.00 0.29 C ATOM 2190 NE1 TRP B 69 17.248 -17.501 6.461 1.00 0.31 N ATOM 2191 CE2 TRP B 69 16.628 -16.310 6.157 1.00 0.29 C ATOM 2192 CE3 TRP B 69 17.351 -14.128 5.394 1.00 0.31 C ATOM 2193 CZ2 TRP B 69 15.302 -15.886 6.172 1.00 0.31 C ATOM 2194 CZ3 TRP B 69 16.014 -13.702 5.410 1.00 0.33 C ATOM 2195 CH2 TRP B 69 14.995 -14.582 5.797 1.00 0.32 C ATOM 0 H TRP B 69 21.776 -14.142 4.555 1.00 0.34 H new ATOM 0 HA TRP B 69 19.839 -13.876 6.599 1.00 0.33 H new ATOM 0 HB2 TRP B 69 20.404 -15.516 4.473 1.00 0.34 H new ATOM 0 HB3 TRP B 69 21.028 -16.549 5.744 1.00 0.34 H new ATOM 0 HD1 TRP B 69 19.313 -18.235 6.457 1.00 0.32 H new ATOM 0 HE1 TRP B 69 16.756 -18.336 6.780 1.00 0.31 H new ATOM 0 HE3 TRP B 69 18.130 -13.443 5.094 1.00 0.31 H new ATOM 0 HZ2 TRP B 69 14.517 -16.565 6.473 1.00 0.31 H new ATOM 0 HZ3 TRP B 69 15.769 -12.690 5.122 1.00 0.33 H new ATOM 0 HH2 TRP B 69 13.968 -14.247 5.804 1.00 0.32 H new ATOM 2206 N GLY B 70 22.560 -15.354 7.673 1.00 0.36 N ATOM 2207 CA GLY B 70 23.215 -15.832 8.929 1.00 0.41 C ATOM 2208 C GLY B 70 24.288 -14.845 9.391 1.00 0.41 C ATOM 2209 O GLY B 70 25.384 -15.236 9.749 1.00 0.53 O ATOM 0 H GLY B 70 23.154 -15.368 6.844 1.00 0.36 H new ATOM 0 HA2 GLY B 70 22.466 -15.954 9.711 1.00 0.41 H new ATOM 0 HA3 GLY B 70 23.663 -16.811 8.761 1.00 0.41 H new ATOM 2213 N THR B 71 23.982 -13.573 9.405 1.00 0.36 N ATOM 2214 CA THR B 71 24.985 -12.568 9.867 1.00 0.36 C ATOM 2215 C THR B 71 24.305 -11.221 10.139 1.00 0.35 C ATOM 2216 O THR B 71 24.920 -10.175 10.038 1.00 0.39 O ATOM 2217 CB THR B 71 26.014 -12.463 8.731 1.00 0.41 C ATOM 2218 OG1 THR B 71 27.228 -11.936 9.246 1.00 0.44 O ATOM 2219 CG2 THR B 71 25.494 -11.547 7.621 1.00 0.46 C ATOM 0 H THR B 71 23.083 -13.188 9.117 1.00 0.36 H new ATOM 0 HA THR B 71 25.463 -12.862 10.802 1.00 0.36 H new ATOM 0 HB THR B 71 26.185 -13.456 8.316 1.00 0.41 H new ATOM 0 HG1 THR B 71 27.042 -11.113 9.745 1.00 0.44 H new ATOM 0 HG21 THR B 71 26.235 -11.484 6.824 1.00 0.46 H new ATOM 0 HG22 THR B 71 24.565 -11.952 7.221 1.00 0.46 H new ATOM 0 HG23 THR B 71 25.311 -10.552 8.026 1.00 0.46 H new ATOM 2227 N ILE B 72 23.043 -11.245 10.493 1.00 0.35 N ATOM 2228 CA ILE B 72 22.316 -9.974 10.785 1.00 0.36 C ATOM 2229 C ILE B 72 22.000 -9.889 12.286 1.00 0.35 C ATOM 2230 O ILE B 72 22.883 -10.024 13.112 1.00 0.40 O ATOM 2231 CB ILE B 72 21.040 -10.032 9.934 1.00 0.37 C ATOM 2232 CG1 ILE B 72 20.232 -11.283 10.288 1.00 0.36 C ATOM 2233 CG2 ILE B 72 21.414 -10.071 8.451 1.00 0.44 C ATOM 2234 CD1 ILE B 72 18.741 -10.986 10.109 1.00 0.36 C ATOM 0 H ILE B 72 22.485 -12.093 10.592 1.00 0.35 H new ATOM 0 HA ILE B 72 22.901 -9.087 10.543 1.00 0.36 H new ATOM 0 HB ILE B 72 20.437 -9.147 10.136 1.00 0.37 H new ATOM 0 HG12 ILE B 72 20.529 -12.115 9.649 1.00 0.36 H new ATOM 0 HG13 ILE B 72 20.435 -11.583 11.316 1.00 0.36 H new ATOM 0 HG21 ILE B 72 20.507 -10.112 7.848 1.00 0.44 H new ATOM 0 HG22 ILE B 72 21.980 -9.175 8.195 1.00 0.44 H new ATOM 0 HG23 ILE B 72 22.022 -10.953 8.252 1.00 0.44 H new ATOM 0 HD11 ILE B 72 18.160 -11.874 10.360 1.00 0.36 H new ATOM 0 HD12 ILE B 72 18.452 -10.166 10.766 1.00 0.36 H new ATOM 0 HD13 ILE B 72 18.547 -10.707 9.073 1.00 0.36 H new ATOM 2246 N LYS B 73 20.762 -9.655 12.648 1.00 0.35 N ATOM 2247 CA LYS B 73 20.407 -9.548 14.095 1.00 0.36 C ATOM 2248 C LYS B 73 19.439 -10.650 14.508 1.00 0.33 C ATOM 2249 O LYS B 73 19.485 -11.133 15.622 1.00 0.37 O ATOM 2250 CB LYS B 73 19.724 -8.188 14.220 1.00 0.39 C ATOM 2251 CG LYS B 73 19.302 -7.956 15.669 1.00 0.43 C ATOM 2252 CD LYS B 73 20.508 -7.488 16.488 1.00 0.53 C ATOM 2253 CE LYS B 73 20.090 -6.332 17.400 1.00 0.61 C ATOM 2254 NZ LYS B 73 21.370 -5.734 17.872 1.00 0.62 N ATOM 0 H LYS B 73 19.982 -9.534 12.002 1.00 0.35 H new ATOM 0 HA LYS B 73 21.284 -9.647 14.734 1.00 0.36 H new ATOM 0 HB2 LYS B 73 20.403 -7.398 13.898 1.00 0.39 H new ATOM 0 HB3 LYS B 73 18.853 -8.146 13.566 1.00 0.39 H new ATOM 0 HG2 LYS B 73 18.509 -7.209 15.712 1.00 0.43 H new ATOM 0 HG3 LYS B 73 18.897 -8.876 16.092 1.00 0.43 H new ATOM 0 HD2 LYS B 73 20.898 -8.313 17.085 1.00 0.53 H new ATOM 0 HD3 LYS B 73 21.310 -7.168 15.823 1.00 0.53 H new ATOM 0 HE2 LYS B 73 19.488 -5.601 16.860 1.00 0.61 H new ATOM 0 HE3 LYS B 73 19.487 -6.687 18.236 1.00 0.61 H new ATOM 0 HZ1 LYS B 73 21.167 -4.933 18.504 1.00 0.62 H new ATOM 0 HZ2 LYS B 73 21.919 -6.451 18.388 1.00 0.62 H new ATOM 0 HZ3 LYS B 73 21.919 -5.399 17.055 1.00 0.62 H new ATOM 2268 N LYS B 74 18.548 -11.014 13.625 1.00 0.30 N ATOM 2269 CA LYS B 74 17.517 -12.059 13.924 1.00 0.28 C ATOM 2270 C LYS B 74 16.470 -11.504 14.893 1.00 0.28 C ATOM 2271 O LYS B 74 15.282 -11.660 14.685 1.00 0.28 O ATOM 2272 CB LYS B 74 18.232 -13.269 14.553 1.00 0.31 C ATOM 2273 CG LYS B 74 19.524 -13.604 13.804 1.00 0.32 C ATOM 2274 CD LYS B 74 19.283 -13.611 12.293 1.00 0.33 C ATOM 2275 CE LYS B 74 18.331 -14.753 11.938 1.00 0.35 C ATOM 2276 NZ LYS B 74 18.824 -15.278 10.633 1.00 0.30 N ATOM 0 H LYS B 74 18.488 -10.623 12.685 1.00 0.30 H new ATOM 0 HA LYS B 74 17.007 -12.357 13.008 1.00 0.28 H new ATOM 0 HB2 LYS B 74 18.460 -13.057 15.598 1.00 0.31 H new ATOM 0 HB3 LYS B 74 17.568 -14.133 14.541 1.00 0.31 H new ATOM 0 HG2 LYS B 74 20.294 -12.874 14.052 1.00 0.32 H new ATOM 0 HG3 LYS B 74 19.894 -14.578 14.123 1.00 0.32 H new ATOM 0 HD2 LYS B 74 18.860 -12.658 11.976 1.00 0.33 H new ATOM 0 HD3 LYS B 74 20.228 -13.732 11.763 1.00 0.33 H new ATOM 0 HE2 LYS B 74 18.342 -15.528 12.704 1.00 0.35 H new ATOM 0 HE3 LYS B 74 17.303 -14.399 11.858 1.00 0.35 H new ATOM 0 HZ1 LYS B 74 18.937 -16.310 10.694 1.00 0.30 H new ATOM 0 HZ2 LYS B 74 18.138 -15.049 9.885 1.00 0.30 H new ATOM 0 HZ3 LYS B 74 19.741 -14.842 10.407 1.00 0.30 H new ATOM 2290 N SER B 75 16.896 -10.846 15.946 1.00 0.32 N ATOM 2291 CA SER B 75 15.918 -10.279 16.919 1.00 0.34 C ATOM 2292 C SER B 75 15.023 -9.271 16.204 1.00 0.32 C ATOM 2293 O SER B 75 13.830 -9.223 16.422 1.00 0.35 O ATOM 2294 CB SER B 75 16.763 -9.598 18.000 1.00 0.42 C ATOM 2295 OG SER B 75 17.209 -8.330 17.533 1.00 0.44 O ATOM 0 H SER B 75 17.877 -10.679 16.170 1.00 0.32 H new ATOM 0 HA SER B 75 15.268 -11.038 17.354 1.00 0.34 H new ATOM 0 HB2 SER B 75 16.176 -9.475 18.910 1.00 0.42 H new ATOM 0 HB3 SER B 75 17.618 -10.224 18.254 1.00 0.42 H new ATOM 0 HG SER B 75 17.609 -7.830 18.275 1.00 0.44 H new ATOM 2301 N LYS B 76 15.600 -8.478 15.338 1.00 0.32 N ATOM 2302 CA LYS B 76 14.796 -7.477 14.584 1.00 0.31 C ATOM 2303 C LYS B 76 14.046 -8.174 13.448 1.00 0.28 C ATOM 2304 O LYS B 76 12.884 -7.907 13.209 1.00 0.32 O ATOM 2305 CB LYS B 76 15.815 -6.481 14.029 1.00 0.36 C ATOM 2306 CG LYS B 76 15.135 -5.128 13.805 1.00 0.39 C ATOM 2307 CD LYS B 76 14.679 -4.548 15.148 1.00 0.55 C ATOM 2308 CE LYS B 76 13.150 -4.550 15.216 1.00 0.50 C ATOM 2309 NZ LYS B 76 12.794 -3.283 15.913 1.00 0.40 N ATOM 0 H LYS B 76 16.597 -8.483 15.122 1.00 0.32 H new ATOM 0 HA LYS B 76 14.052 -6.981 15.207 1.00 0.31 H new ATOM 0 HB2 LYS B 76 16.648 -6.371 14.724 1.00 0.36 H new ATOM 0 HB3 LYS B 76 16.229 -6.852 13.091 1.00 0.36 H new ATOM 0 HG2 LYS B 76 15.825 -4.440 13.317 1.00 0.39 H new ATOM 0 HG3 LYS B 76 14.279 -5.246 13.140 1.00 0.39 H new ATOM 0 HD2 LYS B 76 15.090 -5.137 15.968 1.00 0.55 H new ATOM 0 HD3 LYS B 76 15.057 -3.532 15.264 1.00 0.55 H new ATOM 0 HE2 LYS B 76 12.711 -4.589 14.219 1.00 0.50 H new ATOM 0 HE3 LYS B 76 12.780 -5.418 15.762 1.00 0.50 H new ATOM 0 HZ1 LYS B 76 11.760 -3.212 15.998 1.00 0.40 H new ATOM 0 HZ2 LYS B 76 13.220 -3.277 16.862 1.00 0.40 H new ATOM 0 HZ3 LYS B 76 13.153 -2.474 15.367 1.00 0.40 H new ATOM 2323 N ALA B 77 14.702 -9.075 12.756 1.00 0.30 N ATOM 2324 CA ALA B 77 14.030 -9.805 11.638 1.00 0.30 C ATOM 2325 C ALA B 77 12.848 -10.606 12.183 1.00 0.28 C ATOM 2326 O ALA B 77 11.727 -10.463 11.731 1.00 0.33 O ATOM 2327 CB ALA B 77 15.090 -10.751 11.070 1.00 0.32 C ATOM 0 H ALA B 77 15.675 -9.336 12.919 1.00 0.30 H new ATOM 0 HA ALA B 77 13.647 -9.126 10.876 1.00 0.30 H new ATOM 0 HB1 ALA B 77 14.664 -11.320 10.243 1.00 0.32 H new ATOM 0 HB2 ALA B 77 15.941 -10.171 10.712 1.00 0.32 H new ATOM 0 HB3 ALA B 77 15.421 -11.437 11.850 1.00 0.32 H new ATOM 2333 N ILE B 78 13.094 -11.448 13.155 1.00 0.26 N ATOM 2334 CA ILE B 78 11.990 -12.262 13.741 1.00 0.27 C ATOM 2335 C ILE B 78 10.916 -11.335 14.318 1.00 0.27 C ATOM 2336 O ILE B 78 9.734 -11.550 14.122 1.00 0.36 O ATOM 2337 CB ILE B 78 12.651 -13.105 14.834 1.00 0.29 C ATOM 2338 CG1 ILE B 78 13.680 -14.041 14.192 1.00 0.29 C ATOM 2339 CG2 ILE B 78 11.589 -13.936 15.558 1.00 0.35 C ATOM 2340 CD1 ILE B 78 14.792 -14.356 15.193 1.00 0.31 C ATOM 0 H ILE B 78 14.013 -11.606 13.567 1.00 0.26 H new ATOM 0 HA ILE B 78 11.494 -12.895 13.005 1.00 0.27 H new ATOM 0 HB ILE B 78 13.145 -12.450 15.552 1.00 0.29 H new ATOM 0 HG12 ILE B 78 13.195 -14.963 13.871 1.00 0.29 H new ATOM 0 HG13 ILE B 78 14.102 -13.576 13.301 1.00 0.29 H new ATOM 0 HG21 ILE B 78 12.063 -14.535 16.335 1.00 0.35 H new ATOM 0 HG22 ILE B 78 10.853 -13.271 16.010 1.00 0.35 H new ATOM 0 HG23 ILE B 78 11.093 -14.594 14.845 1.00 0.35 H new ATOM 0 HD11 ILE B 78 15.520 -15.022 14.730 1.00 0.31 H new ATOM 0 HD12 ILE B 78 15.285 -13.431 15.492 1.00 0.31 H new ATOM 0 HD13 ILE B 78 14.365 -14.840 16.071 1.00 0.31 H new ATOM 2352 N ASN B 79 11.315 -10.290 15.006 1.00 0.23 N ATOM 2353 CA ASN B 79 10.306 -9.338 15.565 1.00 0.24 C ATOM 2354 C ASN B 79 9.531 -8.716 14.406 1.00 0.24 C ATOM 2355 O ASN B 79 8.334 -8.513 14.479 1.00 0.28 O ATOM 2356 CB ASN B 79 11.108 -8.268 16.307 1.00 0.25 C ATOM 2357 CG ASN B 79 11.381 -8.728 17.742 1.00 0.28 C ATOM 2358 OD1 ASN B 79 11.746 -9.962 17.964 1.00 0.34 O flip ATOM 2359 ND2 ASN B 79 11.260 -7.956 18.672 1.00 0.37 N flip ATOM 0 H ASN B 79 12.289 -10.058 15.203 1.00 0.23 H new ATOM 0 HA ASN B 79 9.594 -9.823 16.232 1.00 0.24 H new ATOM 0 HB2 ASN B 79 12.049 -8.082 15.790 1.00 0.25 H new ATOM 0 HB3 ASN B 79 10.557 -7.328 16.315 1.00 0.25 H new ATOM 0 HD21 ASN B 79 10.975 -6.992 18.501 1.00 0.37 H new ATOM 0 HD22 ASN B 79 11.443 -8.272 19.624 1.00 0.37 H new ATOM 2366 N VAL B 80 10.217 -8.434 13.326 1.00 0.23 N ATOM 2367 CA VAL B 80 9.543 -7.847 12.133 1.00 0.25 C ATOM 2368 C VAL B 80 8.525 -8.853 11.598 1.00 0.26 C ATOM 2369 O VAL B 80 7.356 -8.552 11.468 1.00 0.30 O ATOM 2370 CB VAL B 80 10.674 -7.600 11.120 1.00 0.29 C ATOM 2371 CG1 VAL B 80 10.239 -8.009 9.709 1.00 0.35 C ATOM 2372 CG2 VAL B 80 11.043 -6.115 11.124 1.00 0.41 C ATOM 0 H VAL B 80 11.220 -8.587 13.222 1.00 0.23 H new ATOM 0 HA VAL B 80 9.004 -6.925 12.349 1.00 0.25 H new ATOM 0 HB VAL B 80 11.536 -8.202 11.408 1.00 0.29 H new ATOM 0 HG11 VAL B 80 11.054 -7.826 9.009 1.00 0.35 H new ATOM 0 HG12 VAL B 80 9.984 -9.069 9.700 1.00 0.35 H new ATOM 0 HG13 VAL B 80 9.368 -7.424 9.413 1.00 0.35 H new ATOM 0 HG21 VAL B 80 11.844 -5.937 10.407 1.00 0.41 H new ATOM 0 HG22 VAL B 80 10.171 -5.523 10.848 1.00 0.41 H new ATOM 0 HG23 VAL B 80 11.377 -5.826 12.120 1.00 0.41 H new ATOM 2382 N LEU B 81 8.968 -10.049 11.295 1.00 0.26 N ATOM 2383 CA LEU B 81 8.033 -11.092 10.772 1.00 0.29 C ATOM 2384 C LEU B 81 6.841 -11.247 11.716 1.00 0.29 C ATOM 2385 O LEU B 81 5.741 -11.564 11.299 1.00 0.35 O ATOM 2386 CB LEU B 81 8.855 -12.378 10.722 1.00 0.32 C ATOM 2387 CG LEU B 81 9.138 -12.739 9.263 1.00 0.44 C ATOM 2388 CD1 LEU B 81 10.508 -12.195 8.858 1.00 0.98 C ATOM 2389 CD2 LEU B 81 9.127 -14.259 9.107 1.00 0.48 C ATOM 0 H LEU B 81 9.939 -10.348 11.388 1.00 0.26 H new ATOM 0 HA LEU B 81 7.631 -10.834 9.792 1.00 0.29 H new ATOM 0 HB2 LEU B 81 9.791 -12.246 11.264 1.00 0.32 H new ATOM 0 HB3 LEU B 81 8.314 -13.188 11.211 1.00 0.32 H new ATOM 0 HG LEU B 81 8.372 -12.300 8.624 1.00 0.44 H new ATOM 0 HD11 LEU B 81 10.709 -12.453 7.818 1.00 0.98 H new ATOM 0 HD12 LEU B 81 10.517 -11.111 8.971 1.00 0.98 H new ATOM 0 HD13 LEU B 81 11.276 -12.633 9.495 1.00 0.98 H new ATOM 0 HD21 LEU B 81 9.328 -14.520 8.068 1.00 0.48 H new ATOM 0 HD22 LEU B 81 9.894 -14.696 9.746 1.00 0.48 H new ATOM 0 HD23 LEU B 81 8.150 -14.647 9.396 1.00 0.48 H new ATOM 2401 N ARG B 82 7.046 -11.001 12.984 1.00 0.29 N ATOM 2402 CA ARG B 82 5.920 -11.107 13.951 1.00 0.30 C ATOM 2403 C ARG B 82 4.946 -9.958 13.685 1.00 0.30 C ATOM 2404 O ARG B 82 3.756 -10.161 13.511 1.00 0.35 O ATOM 2405 CB ARG B 82 6.559 -10.972 15.335 1.00 0.32 C ATOM 2406 CG ARG B 82 5.615 -11.547 16.396 1.00 0.37 C ATOM 2407 CD ARG B 82 6.132 -12.911 16.861 1.00 0.42 C ATOM 2408 NE ARG B 82 6.731 -12.659 18.201 1.00 0.44 N ATOM 2409 CZ ARG B 82 7.899 -12.084 18.297 1.00 0.45 C ATOM 2410 NH1 ARG B 82 8.978 -12.741 17.971 1.00 0.58 N ATOM 2411 NH2 ARG B 82 7.987 -10.852 18.719 1.00 0.52 N ATOM 0 H ARG B 82 7.943 -10.732 13.388 1.00 0.29 H new ATOM 0 HA ARG B 82 5.368 -12.043 13.868 1.00 0.30 H new ATOM 0 HB2 ARG B 82 7.513 -11.499 15.359 1.00 0.32 H new ATOM 0 HB3 ARG B 82 6.768 -9.924 15.549 1.00 0.32 H new ATOM 0 HG2 ARG B 82 5.546 -10.865 17.244 1.00 0.37 H new ATOM 0 HG3 ARG B 82 4.610 -11.648 15.986 1.00 0.37 H new ATOM 0 HD2 ARG B 82 5.324 -13.640 16.921 1.00 0.42 H new ATOM 0 HD3 ARG B 82 6.871 -13.311 16.167 1.00 0.42 H new ATOM 0 HE ARG B 82 6.228 -12.936 19.044 1.00 0.44 H new ATOM 0 HH11 ARG B 82 8.909 -13.704 17.641 1.00 0.58 H new ATOM 0 HH12 ARG B 82 9.891 -12.292 18.046 1.00 0.58 H new ATOM 0 HH21 ARG B 82 7.143 -10.339 18.974 1.00 0.52 H new ATOM 0 HH22 ARG B 82 8.900 -10.403 18.794 1.00 0.52 H new ATOM 2425 N GLY B 83 5.457 -8.753 13.623 1.00 0.31 N ATOM 2426 CA GLY B 83 4.586 -7.578 13.336 1.00 0.34 C ATOM 2427 C GLY B 83 4.007 -7.736 11.930 1.00 0.33 C ATOM 2428 O GLY B 83 2.933 -7.250 11.632 1.00 0.36 O ATOM 0 H GLY B 83 6.444 -8.535 13.760 1.00 0.31 H new ATOM 0 HA2 GLY B 83 3.784 -7.513 14.071 1.00 0.34 H new ATOM 0 HA3 GLY B 83 5.160 -6.654 13.408 1.00 0.34 H new ATOM 2432 N PHE B 84 4.710 -8.436 11.072 1.00 0.34 N ATOM 2433 CA PHE B 84 4.208 -8.660 9.687 1.00 0.38 C ATOM 2434 C PHE B 84 2.927 -9.488 9.765 1.00 0.38 C ATOM 2435 O PHE B 84 1.957 -9.220 9.081 1.00 0.42 O ATOM 2436 CB PHE B 84 5.318 -9.444 8.980 1.00 0.43 C ATOM 2437 CG PHE B 84 6.214 -8.502 8.223 1.00 0.41 C ATOM 2438 CD1 PHE B 84 6.777 -7.396 8.867 1.00 0.59 C ATOM 2439 CD2 PHE B 84 6.487 -8.743 6.873 1.00 0.54 C ATOM 2440 CE1 PHE B 84 7.611 -6.530 8.160 1.00 0.68 C ATOM 2441 CE2 PHE B 84 7.324 -7.877 6.166 1.00 0.56 C ATOM 2442 CZ PHE B 84 7.884 -6.772 6.810 1.00 0.54 C ATOM 0 H PHE B 84 5.614 -8.862 11.276 1.00 0.34 H new ATOM 0 HA PHE B 84 3.980 -7.736 9.156 1.00 0.38 H new ATOM 0 HB2 PHE B 84 5.901 -10.004 9.711 1.00 0.43 H new ATOM 0 HB3 PHE B 84 4.881 -10.172 8.296 1.00 0.43 H new ATOM 0 HD1 PHE B 84 6.566 -7.213 9.910 1.00 0.59 H new ATOM 0 HD2 PHE B 84 6.051 -9.598 6.378 1.00 0.54 H new ATOM 0 HE1 PHE B 84 8.045 -5.674 8.654 1.00 0.68 H new ATOM 0 HE2 PHE B 84 7.538 -8.062 5.124 1.00 0.56 H new ATOM 0 HZ PHE B 84 8.531 -6.101 6.263 1.00 0.54 H new ATOM 2452 N ARG B 85 2.918 -10.481 10.620 1.00 0.38 N ATOM 2453 CA ARG B 85 1.701 -11.326 10.782 1.00 0.39 C ATOM 2454 C ARG B 85 0.587 -10.484 11.402 1.00 0.37 C ATOM 2455 O ARG B 85 -0.579 -10.660 11.105 1.00 0.40 O ATOM 2456 CB ARG B 85 2.113 -12.454 11.728 1.00 0.43 C ATOM 2457 CG ARG B 85 1.027 -13.533 11.740 1.00 0.54 C ATOM 2458 CD ARG B 85 -0.011 -13.208 12.819 1.00 0.68 C ATOM 2459 NE ARG B 85 -1.333 -13.401 12.157 1.00 0.69 N ATOM 2460 CZ ARG B 85 -2.426 -13.393 12.870 1.00 0.68 C ATOM 2461 NH1 ARG B 85 -2.741 -14.431 13.596 1.00 1.05 N ATOM 2462 NH2 ARG B 85 -3.207 -12.347 12.856 1.00 0.74 N ATOM 0 H ARG B 85 3.706 -10.741 11.214 1.00 0.38 H new ATOM 0 HA ARG B 85 1.332 -11.719 9.835 1.00 0.39 H new ATOM 0 HB2 ARG B 85 3.063 -12.883 11.408 1.00 0.43 H new ATOM 0 HB3 ARG B 85 2.263 -12.063 12.734 1.00 0.43 H new ATOM 0 HG2 ARG B 85 0.546 -13.589 10.764 1.00 0.54 H new ATOM 0 HG3 ARG B 85 1.472 -14.509 11.932 1.00 0.54 H new ATOM 0 HD2 ARG B 85 0.098 -13.866 13.681 1.00 0.68 H new ATOM 0 HD3 ARG B 85 0.103 -12.186 13.181 1.00 0.68 H new ATOM 0 HE ARG B 85 -1.383 -13.539 11.148 1.00 0.69 H new ATOM 0 HH11 ARG B 85 -2.133 -15.250 13.606 1.00 1.05 H new ATOM 0 HH12 ARG B 85 -3.596 -14.424 14.153 1.00 1.05 H new ATOM 0 HH21 ARG B 85 -2.963 -11.536 12.288 1.00 0.74 H new ATOM 0 HH22 ARG B 85 -4.061 -12.341 13.413 1.00 0.74 H new ATOM 2476 N LYS B 86 0.942 -9.560 12.258 1.00 0.34 N ATOM 2477 CA LYS B 86 -0.094 -8.693 12.890 1.00 0.33 C ATOM 2478 C LYS B 86 -0.577 -7.653 11.877 1.00 0.31 C ATOM 2479 O LYS B 86 -1.741 -7.300 11.843 1.00 0.35 O ATOM 2480 CB LYS B 86 0.604 -8.019 14.072 1.00 0.34 C ATOM 2481 CG LYS B 86 -0.432 -7.658 15.141 1.00 0.41 C ATOM 2482 CD LYS B 86 -1.062 -8.937 15.702 1.00 0.49 C ATOM 2483 CE LYS B 86 -2.439 -9.157 15.066 1.00 0.45 C ATOM 2484 NZ LYS B 86 -3.336 -9.512 16.200 1.00 0.69 N ATOM 0 H LYS B 86 1.902 -9.370 12.545 1.00 0.34 H new ATOM 0 HA LYS B 86 -0.968 -9.257 13.217 1.00 0.33 H new ATOM 0 HB2 LYS B 86 1.357 -8.686 14.491 1.00 0.34 H new ATOM 0 HB3 LYS B 86 1.124 -7.122 13.737 1.00 0.34 H new ATOM 0 HG2 LYS B 86 0.041 -7.092 15.943 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -1.204 -7.019 14.712 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -0.416 -9.791 15.499 1.00 0.49 H new ATOM 0 HD3 LYS B 86 -1.159 -8.861 16.785 1.00 0.49 H new ATOM 0 HE2 LYS B 86 -2.786 -8.259 14.555 1.00 0.45 H new ATOM 0 HE3 LYS B 86 -2.408 -9.954 14.323 1.00 0.45 H new ATOM 0 HZ1 LYS B 86 -4.298 -9.678 15.843 1.00 0.69 H new ATOM 0 HZ2 LYS B 86 -2.985 -10.375 16.663 1.00 0.69 H new ATOM 0 HZ3 LYS B 86 -3.352 -8.732 16.888 1.00 0.69 H new ATOM 2498 N GLU B 87 0.312 -7.175 11.044 1.00 0.31 N ATOM 2499 CA GLU B 87 -0.083 -6.169 10.015 1.00 0.31 C ATOM 2500 C GLU B 87 -1.014 -6.823 8.993 1.00 0.32 C ATOM 2501 O GLU B 87 -1.957 -6.217 8.519 1.00 0.33 O ATOM 2502 CB GLU B 87 1.226 -5.739 9.352 1.00 0.34 C ATOM 2503 CG GLU B 87 1.755 -4.476 10.034 1.00 0.37 C ATOM 2504 CD GLU B 87 2.553 -3.648 9.026 1.00 0.33 C ATOM 2505 OE1 GLU B 87 3.468 -4.195 8.432 1.00 0.41 O ATOM 2506 OE2 GLU B 87 2.236 -2.481 8.864 1.00 0.43 O ATOM 0 H GLU B 87 1.297 -7.440 11.033 1.00 0.31 H new ATOM 0 HA GLU B 87 -0.614 -5.318 10.442 1.00 0.31 H new ATOM 0 HB2 GLU B 87 1.962 -6.539 9.425 1.00 0.34 H new ATOM 0 HB3 GLU B 87 1.063 -5.551 8.291 1.00 0.34 H new ATOM 0 HG2 GLU B 87 0.926 -3.888 10.428 1.00 0.37 H new ATOM 0 HG3 GLU B 87 2.386 -4.745 10.881 1.00 0.37 H new ATOM 2513 N ILE B 88 -0.757 -8.063 8.662 1.00 0.36 N ATOM 2514 CA ILE B 88 -1.629 -8.772 7.682 1.00 0.38 C ATOM 2515 C ILE B 88 -2.997 -9.033 8.327 1.00 0.36 C ATOM 2516 O ILE B 88 -4.032 -8.877 7.700 1.00 0.39 O ATOM 2517 CB ILE B 88 -0.872 -10.072 7.347 1.00 0.42 C ATOM 2518 CG1 ILE B 88 -0.960 -10.336 5.839 1.00 0.50 C ATOM 2519 CG2 ILE B 88 -1.459 -11.266 8.109 1.00 0.44 C ATOM 2520 CD1 ILE B 88 0.444 -10.321 5.232 1.00 0.63 C ATOM 0 H ILE B 88 0.019 -8.614 9.029 1.00 0.36 H new ATOM 0 HA ILE B 88 -1.824 -8.203 6.773 1.00 0.38 H new ATOM 0 HB ILE B 88 0.169 -9.952 7.648 1.00 0.42 H new ATOM 0 HG12 ILE B 88 -1.436 -11.299 5.656 1.00 0.50 H new ATOM 0 HG13 ILE B 88 -1.581 -9.578 5.363 1.00 0.50 H new ATOM 0 HG21 ILE B 88 -0.905 -12.169 7.853 1.00 0.44 H new ATOM 0 HG22 ILE B 88 -1.384 -11.086 9.181 1.00 0.44 H new ATOM 0 HG23 ILE B 88 -2.506 -11.393 7.835 1.00 0.44 H new ATOM 0 HD11 ILE B 88 0.379 -10.509 4.160 1.00 0.63 H new ATOM 0 HD12 ILE B 88 0.904 -9.348 5.403 1.00 0.63 H new ATOM 0 HD13 ILE B 88 1.051 -11.096 5.700 1.00 0.63 H new ATOM 2532 N GLY B 89 -3.007 -9.397 9.588 1.00 0.35 N ATOM 2533 CA GLY B 89 -4.302 -9.635 10.291 1.00 0.36 C ATOM 2534 C GLY B 89 -5.095 -8.331 10.276 1.00 0.32 C ATOM 2535 O GLY B 89 -6.309 -8.324 10.179 1.00 0.36 O ATOM 0 H GLY B 89 -2.173 -9.539 10.158 1.00 0.35 H new ATOM 0 HA2 GLY B 89 -4.863 -10.428 9.797 1.00 0.36 H new ATOM 0 HA3 GLY B 89 -4.125 -9.961 11.316 1.00 0.36 H new ATOM 2539 N ARG B 90 -4.403 -7.224 10.349 1.00 0.30 N ATOM 2540 CA ARG B 90 -5.089 -5.904 10.315 1.00 0.29 C ATOM 2541 C ARG B 90 -5.657 -5.670 8.916 1.00 0.27 C ATOM 2542 O ARG B 90 -6.732 -5.117 8.756 1.00 0.28 O ATOM 2543 CB ARG B 90 -3.998 -4.878 10.621 1.00 0.31 C ATOM 2544 CG ARG B 90 -3.958 -4.595 12.122 1.00 0.35 C ATOM 2545 CD ARG B 90 -2.945 -3.481 12.393 1.00 0.44 C ATOM 2546 NE ARG B 90 -3.371 -2.874 13.685 1.00 0.47 N ATOM 2547 CZ ARG B 90 -4.444 -2.131 13.736 1.00 0.50 C ATOM 2548 NH1 ARG B 90 -4.418 -0.913 13.267 1.00 0.64 N ATOM 2549 NH2 ARG B 90 -5.541 -2.605 14.260 1.00 0.64 N ATOM 0 H ARG B 90 -3.387 -7.180 10.431 1.00 0.30 H new ATOM 0 HA ARG B 90 -5.913 -5.840 11.026 1.00 0.29 H new ATOM 0 HB2 ARG B 90 -3.030 -5.252 10.287 1.00 0.31 H new ATOM 0 HB3 ARG B 90 -4.190 -3.956 10.073 1.00 0.31 H new ATOM 0 HG2 ARG B 90 -4.946 -4.300 12.476 1.00 0.35 H new ATOM 0 HG3 ARG B 90 -3.681 -5.497 12.668 1.00 0.35 H new ATOM 0 HD2 ARG B 90 -1.932 -3.877 12.459 1.00 0.44 H new ATOM 0 HD3 ARG B 90 -2.947 -2.743 11.591 1.00 0.44 H new ATOM 0 HE ARG B 90 -2.824 -3.039 14.530 1.00 0.47 H new ATOM 0 HH11 ARG B 90 -3.560 -0.541 12.861 1.00 0.64 H new ATOM 0 HH12 ARG B 90 -5.256 -0.333 13.307 1.00 0.64 H new ATOM 0 HH21 ARG B 90 -5.560 -3.555 14.630 1.00 0.64 H new ATOM 0 HH22 ARG B 90 -6.379 -2.025 14.300 1.00 0.64 H new ATOM 2563 N MET B 91 -4.947 -6.115 7.900 1.00 0.29 N ATOM 2564 CA MET B 91 -5.442 -5.942 6.504 1.00 0.29 C ATOM 2565 C MET B 91 -6.792 -6.627 6.391 1.00 0.28 C ATOM 2566 O MET B 91 -7.709 -6.132 5.763 1.00 0.28 O ATOM 2567 CB MET B 91 -4.401 -6.626 5.615 1.00 0.35 C ATOM 2568 CG MET B 91 -4.244 -5.836 4.314 1.00 0.45 C ATOM 2569 SD MET B 91 -3.085 -6.696 3.221 1.00 0.56 S ATOM 2570 CE MET B 91 -1.568 -6.252 4.103 1.00 0.57 C ATOM 0 H MET B 91 -4.048 -6.589 7.984 1.00 0.29 H new ATOM 0 HA MET B 91 -5.568 -4.899 6.215 1.00 0.29 H new ATOM 0 HB2 MET B 91 -3.445 -6.685 6.135 1.00 0.35 H new ATOM 0 HB3 MET B 91 -4.709 -7.649 5.397 1.00 0.35 H new ATOM 0 HG2 MET B 91 -5.211 -5.728 3.823 1.00 0.45 H new ATOM 0 HG3 MET B 91 -3.881 -4.831 4.528 1.00 0.45 H new ATOM 0 HE1 MET B 91 -1.019 -5.506 3.529 1.00 0.57 H new ATOM 0 HE2 MET B 91 -1.822 -5.843 5.081 1.00 0.57 H new ATOM 0 HE3 MET B 91 -0.948 -7.140 4.231 1.00 0.57 H new ATOM 2580 N LEU B 92 -6.923 -7.753 7.037 1.00 0.31 N ATOM 2581 CA LEU B 92 -8.219 -8.477 7.021 1.00 0.33 C ATOM 2582 C LEU B 92 -9.251 -7.630 7.738 1.00 0.32 C ATOM 2583 O LEU B 92 -10.359 -7.468 7.270 1.00 0.35 O ATOM 2584 CB LEU B 92 -7.948 -9.781 7.747 1.00 0.41 C ATOM 2585 CG LEU B 92 -6.953 -10.564 6.907 1.00 0.47 C ATOM 2586 CD1 LEU B 92 -6.059 -11.413 7.815 1.00 0.57 C ATOM 2587 CD2 LEU B 92 -7.709 -11.470 5.930 1.00 0.54 C ATOM 0 H LEU B 92 -6.183 -8.202 7.577 1.00 0.31 H new ATOM 0 HA LEU B 92 -8.604 -8.671 6.020 1.00 0.33 H new ATOM 0 HB2 LEU B 92 -7.546 -9.591 8.742 1.00 0.41 H new ATOM 0 HB3 LEU B 92 -8.870 -10.347 7.878 1.00 0.41 H new ATOM 0 HG LEU B 92 -6.330 -9.868 6.346 1.00 0.47 H new ATOM 0 HD11 LEU B 92 -5.348 -11.972 7.206 1.00 0.57 H new ATOM 0 HD12 LEU B 92 -5.517 -10.763 8.502 1.00 0.57 H new ATOM 0 HD13 LEU B 92 -6.675 -12.109 8.384 1.00 0.57 H new ATOM 0 HD21 LEU B 92 -6.995 -12.031 5.328 1.00 0.54 H new ATOM 0 HD22 LEU B 92 -8.337 -12.164 6.489 1.00 0.54 H new ATOM 0 HD23 LEU B 92 -8.334 -10.860 5.277 1.00 0.54 H new ATOM 2599 N ASN B 93 -8.873 -7.044 8.848 1.00 0.32 N ATOM 2600 CA ASN B 93 -9.819 -6.150 9.575 1.00 0.35 C ATOM 2601 C ASN B 93 -10.323 -5.093 8.589 1.00 0.33 C ATOM 2602 O ASN B 93 -11.409 -4.563 8.728 1.00 0.41 O ATOM 2603 CB ASN B 93 -8.990 -5.507 10.694 1.00 0.35 C ATOM 2604 CG ASN B 93 -9.722 -5.629 12.037 1.00 0.60 C ATOM 2605 OD1 ASN B 93 -10.468 -6.673 12.281 1.00 0.74 O flip ATOM 2606 ND2 ASN B 93 -9.604 -4.764 12.881 1.00 0.90 N flip ATOM 0 H ASN B 93 -7.954 -7.147 9.278 1.00 0.32 H new ATOM 0 HA ASN B 93 -10.683 -6.671 9.986 1.00 0.35 H new ATOM 0 HB2 ASN B 93 -8.016 -5.991 10.758 1.00 0.35 H new ATOM 0 HB3 ASN B 93 -8.810 -4.457 10.465 1.00 0.35 H new ATOM 0 HD21 ASN B 93 -9.023 -3.947 12.696 1.00 0.90 H new ATOM 0 HD22 ASN B 93 -10.086 -4.855 13.775 1.00 0.90 H new ATOM 2613 N ILE B 94 -9.535 -4.805 7.575 1.00 0.27 N ATOM 2614 CA ILE B 94 -9.962 -3.804 6.553 1.00 0.28 C ATOM 2615 C ILE B 94 -10.802 -4.475 5.459 1.00 0.28 C ATOM 2616 O ILE B 94 -11.729 -3.877 4.945 1.00 0.35 O ATOM 2617 CB ILE B 94 -8.681 -3.229 5.934 1.00 0.29 C ATOM 2618 CG1 ILE B 94 -7.604 -3.038 7.015 1.00 0.32 C ATOM 2619 CG2 ILE B 94 -9.010 -1.885 5.274 1.00 0.34 C ATOM 2620 CD1 ILE B 94 -6.705 -1.841 6.680 1.00 0.46 C ATOM 0 H ILE B 94 -8.618 -5.222 7.416 1.00 0.27 H new ATOM 0 HA ILE B 94 -10.571 -3.025 7.012 1.00 0.28 H new ATOM 0 HB ILE B 94 -8.295 -3.922 5.186 1.00 0.29 H new ATOM 0 HG12 ILE B 94 -8.078 -2.883 7.984 1.00 0.32 H new ATOM 0 HG13 ILE B 94 -7.000 -3.941 7.097 1.00 0.32 H new ATOM 0 HG21 ILE B 94 -8.106 -1.467 4.830 1.00 0.34 H new ATOM 0 HG22 ILE B 94 -9.760 -2.035 4.497 1.00 0.34 H new ATOM 0 HG23 ILE B 94 -9.398 -1.196 6.025 1.00 0.34 H new ATOM 0 HD11 ILE B 94 -5.950 -1.724 7.458 1.00 0.46 H new ATOM 0 HD12 ILE B 94 -6.215 -2.011 5.721 1.00 0.46 H new ATOM 0 HD13 ILE B 94 -7.310 -0.936 6.623 1.00 0.46 H new ATOM 2632 N LEU B 95 -10.486 -5.698 5.073 1.00 0.26 N ATOM 2633 CA LEU B 95 -11.291 -6.345 3.981 1.00 0.27 C ATOM 2634 C LEU B 95 -12.366 -7.289 4.542 1.00 0.32 C ATOM 2635 O LEU B 95 -12.982 -8.033 3.803 1.00 0.42 O ATOM 2636 CB LEU B 95 -10.288 -7.115 3.118 1.00 0.28 C ATOM 2637 CG LEU B 95 -9.532 -8.129 3.972 1.00 0.32 C ATOM 2638 CD1 LEU B 95 -10.030 -9.540 3.659 1.00 0.44 C ATOM 2639 CD2 LEU B 95 -8.035 -8.035 3.663 1.00 0.36 C ATOM 0 H LEU B 95 -9.726 -6.261 5.456 1.00 0.26 H new ATOM 0 HA LEU B 95 -11.829 -5.593 3.403 1.00 0.27 H new ATOM 0 HB2 LEU B 95 -10.810 -7.626 2.309 1.00 0.28 H new ATOM 0 HB3 LEU B 95 -9.586 -6.421 2.656 1.00 0.28 H new ATOM 0 HG LEU B 95 -9.703 -7.914 5.027 1.00 0.32 H new ATOM 0 HD11 LEU B 95 -9.488 -10.261 4.271 1.00 0.44 H new ATOM 0 HD12 LEU B 95 -11.096 -9.607 3.878 1.00 0.44 H new ATOM 0 HD13 LEU B 95 -9.862 -9.760 2.605 1.00 0.44 H new ATOM 0 HD21 LEU B 95 -7.492 -8.758 4.271 1.00 0.36 H new ATOM 0 HD22 LEU B 95 -7.867 -8.250 2.608 1.00 0.36 H new ATOM 0 HD23 LEU B 95 -7.679 -7.030 3.890 1.00 0.36 H new ATOM 2651 N ASN B 96 -12.613 -7.253 5.831 1.00 0.32 N ATOM 2652 CA ASN B 96 -13.669 -8.140 6.421 1.00 0.40 C ATOM 2653 C ASN B 96 -14.747 -7.291 7.101 1.00 0.46 C ATOM 2654 O ASN B 96 -15.915 -7.632 7.092 1.00 0.53 O ATOM 2655 CB ASN B 96 -12.952 -9.017 7.449 1.00 0.47 C ATOM 2656 CG ASN B 96 -12.355 -10.240 6.750 1.00 0.57 C ATOM 2657 OD1 ASN B 96 -11.061 -10.330 6.608 1.00 0.70 O flip ATOM 2658 ND2 ASN B 96 -13.074 -11.124 6.328 1.00 0.68 N flip ATOM 0 H ASN B 96 -12.131 -6.650 6.498 1.00 0.32 H new ATOM 0 HA ASN B 96 -14.163 -8.743 5.659 1.00 0.40 H new ATOM 0 HB2 ASN B 96 -12.165 -8.447 7.943 1.00 0.47 H new ATOM 0 HB3 ASN B 96 -13.651 -9.333 8.224 1.00 0.47 H new ATOM 0 HD21 ASN B 96 -14.086 -11.055 6.438 1.00 0.68 H new ATOM 0 HD22 ASN B 96 -12.666 -11.935 5.863 1.00 0.68 H new