USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 THR OG1 : rot -92:sc= 1.46 USER MOD Set 1.2: A 93 CYS SG : rot 77:sc= -0.628 USER MOD Set 2.1: A 60 GLN : amide:sc= 0.132 K(o=-0.15,f=1.1) USER MOD Set 2.2: A 64 GLN : amide:sc= -0.352 K(o=-0.15,f=1.1) USER MOD Set 2.3: A 70 THR OG1 : rot -120:sc= 0.0667 USER MOD Set 3.1: A 45 GLN : amide:sc= 0.461 X(o=0.87,f=0.93) USER MOD Set 3.2: A 111 SER OG : rot 180:sc= 0.412 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.424 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 39 SER OG : rot -26:sc= 0.0975 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.345 X(o=-0.34,f=-0.46) USER MOD Single : A 46 GLN : amide:sc= -0.273 K(o=-0.27,f=-4.1!) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00238 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3.3!) USER MOD Single : A 73 MET CE :methyl -107:sc= -0.193 (180deg=-1.61) USER MOD Single : A 74 SER OG : rot 82:sc= 0.684 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 146:sc= -0.589 (180deg=-2.63!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 160:sc= -0.0123 USER MOD Single : A 88 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.65) USER MOD Single : A 97 THR OG1 : rot 100:sc=-0.00772 USER MOD Single : A 105 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.6!) USER MOD Single : A 106 SER OG : rot 17:sc= 0.0683 USER MOD Single : A 108 MET CE :methyl -179:sc= -1.42 (180deg=-1.43) USER MOD Single : A 109 GLN : amide:sc= -0.614 K(o=-0.61,f=-1.5) USER MOD Single : A 113 LYS NZ :NH3+ 150:sc= 2.08 (180deg=0.534) USER MOD Single : A 114 GLN : amide:sc= -3.68 K(o=-3.7,f=-7.2!) USER MOD Single : A 115 ASN : amide:sc= 0.756 K(o=0.76,f=-8.4!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -27:sc=0.000255 USER MOD Single : A 123 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.33) USER MOD Single : A 124 SER OG : rot 86:sc= 0.484 USER MOD Single : A 127 SER OG : rot 70:sc= 1.1 USER MOD Single : A 131 THR OG1 : rot 76:sc= 1.01 USER MOD Single : A 135 THR OG1 : rot -33:sc= 0.0509 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -1.031 14.104 -9.059 1.00 55.44 N ATOM 287 CA LEU A 20 -0.753 13.508 -7.750 1.00 12.23 C ATOM 288 C LEU A 20 0.734 13.122 -7.675 1.00 43.14 C ATOM 289 O LEU A 20 1.139 12.095 -8.222 1.00 51.43 O ATOM 290 CB LEU A 20 -1.651 12.265 -7.502 1.00 13.42 C ATOM 291 CG LEU A 20 -1.636 11.714 -6.038 1.00 23.41 C ATOM 292 CD1 LEU A 20 -2.274 12.716 -5.065 1.00 44.41 C ATOM 293 CD2 LEU A 20 -2.307 10.337 -5.930 1.00 3.04 C ATOM 0 HA LEU A 20 -0.979 14.239 -6.973 1.00 12.23 H new ATOM 0 HB2 LEU A 20 -2.677 12.519 -7.767 1.00 13.42 H new ATOM 0 HB3 LEU A 20 -1.336 11.469 -8.176 1.00 13.42 H new ATOM 0 HG LEU A 20 -0.591 11.583 -5.757 1.00 23.41 H new ATOM 0 HD11 LEU A 20 -2.250 12.308 -4.055 1.00 44.41 H new ATOM 0 HD12 LEU A 20 -1.718 13.653 -5.091 1.00 44.41 H new ATOM 0 HD13 LEU A 20 -3.308 12.900 -5.358 1.00 44.41 H new ATOM 0 HD21 LEU A 20 -2.272 9.995 -4.895 1.00 3.04 H new ATOM 0 HD22 LEU A 20 -3.345 10.412 -6.253 1.00 3.04 H new ATOM 0 HD23 LEU A 20 -1.780 9.625 -6.565 1.00 3.04 H new ATOM 305 N MET A 21 1.548 13.965 -7.026 1.00 73.13 N ATOM 306 CA MET A 21 2.974 13.680 -6.821 1.00 62.34 C ATOM 307 C MET A 21 3.121 12.895 -5.519 1.00 62.45 C ATOM 308 O MET A 21 3.134 13.483 -4.437 1.00 34.32 O ATOM 309 CB MET A 21 3.773 15.017 -6.775 1.00 20.24 C ATOM 310 CG MET A 21 5.275 14.892 -6.464 1.00 50.32 C ATOM 311 SD MET A 21 6.068 16.500 -6.237 1.00 50.33 S ATOM 312 CE MET A 21 7.748 16.026 -5.811 1.00 50.44 C ATOM 0 H MET A 21 1.241 14.854 -6.632 1.00 73.13 H new ATOM 0 HA MET A 21 3.374 13.085 -7.642 1.00 62.34 H new ATOM 0 HB2 MET A 21 3.661 15.518 -7.737 1.00 20.24 H new ATOM 0 HB3 MET A 21 3.319 15.664 -6.024 1.00 20.24 H new ATOM 0 HG2 MET A 21 5.408 14.294 -5.562 1.00 50.32 H new ATOM 0 HG3 MET A 21 5.768 14.358 -7.276 1.00 50.32 H new ATOM 0 HE1 MET A 21 8.347 16.921 -5.644 1.00 50.44 H new ATOM 0 HE2 MET A 21 7.737 15.422 -4.904 1.00 50.44 H new ATOM 0 HE3 MET A 21 8.181 15.447 -6.627 1.00 50.44 H new ATOM 322 N LEU A 22 3.205 11.556 -5.639 1.00 15.31 N ATOM 323 CA LEU A 22 3.381 10.652 -4.494 1.00 71.13 C ATOM 324 C LEU A 22 4.873 10.499 -4.202 1.00 15.44 C ATOM 325 O LEU A 22 5.620 10.005 -5.045 1.00 65.25 O ATOM 326 CB LEU A 22 2.755 9.254 -4.788 1.00 63.13 C ATOM 327 CG LEU A 22 1.206 9.196 -4.892 1.00 33.42 C ATOM 328 CD1 LEU A 22 0.737 7.809 -5.374 1.00 31.15 C ATOM 329 CD2 LEU A 22 0.552 9.573 -3.548 1.00 32.22 C ATOM 0 H LEU A 22 3.152 11.073 -6.536 1.00 15.31 H new ATOM 0 HA LEU A 22 2.873 11.077 -3.628 1.00 71.13 H new ATOM 0 HB2 LEU A 22 3.174 8.883 -5.723 1.00 63.13 H new ATOM 0 HB3 LEU A 22 3.070 8.567 -4.003 1.00 63.13 H new ATOM 0 HG LEU A 22 0.888 9.928 -5.634 1.00 33.42 H new ATOM 0 HD11 LEU A 22 -0.351 7.795 -5.438 1.00 31.15 H new ATOM 0 HD12 LEU A 22 1.161 7.603 -6.357 1.00 31.15 H new ATOM 0 HD13 LEU A 22 1.069 7.047 -4.668 1.00 31.15 H new ATOM 0 HD21 LEU A 22 -0.533 9.525 -3.645 1.00 32.22 H new ATOM 0 HD22 LEU A 22 0.878 8.876 -2.776 1.00 32.22 H new ATOM 0 HD23 LEU A 22 0.847 10.585 -3.271 1.00 32.22 H new ATOM 409 N GLN A 27 10.894 8.456 6.074 1.00 13.30 N ATOM 410 CA GLN A 27 10.355 7.102 6.259 1.00 44.25 C ATOM 411 C GLN A 27 9.663 6.945 7.629 1.00 72.41 C ATOM 412 O GLN A 27 10.292 7.103 8.680 1.00 21.32 O ATOM 413 CB GLN A 27 11.468 6.032 6.045 1.00 12.33 C ATOM 414 CG GLN A 27 12.671 6.121 7.007 1.00 21.34 C ATOM 415 CD GLN A 27 13.784 5.129 6.675 1.00 20.55 C ATOM 416 OE1 GLN A 27 14.703 5.436 5.913 1.00 1.52 O ATOM 417 NE2 GLN A 27 13.700 3.923 7.227 1.00 35.02 N ATOM 0 HA GLN A 27 9.588 6.940 5.501 1.00 44.25 H new ATOM 0 HB2 GLN A 27 11.020 5.043 6.142 1.00 12.33 H new ATOM 0 HB3 GLN A 27 11.836 6.116 5.022 1.00 12.33 H new ATOM 0 HG2 GLN A 27 13.075 7.133 6.980 1.00 21.34 H new ATOM 0 HG3 GLN A 27 12.327 5.943 8.026 1.00 21.34 H new ATOM 0 HE21 GLN A 27 12.926 3.702 7.853 1.00 35.02 H new ATOM 0 HE22 GLN A 27 14.409 3.219 7.024 1.00 35.02 H new ATOM 426 N LEU A 28 8.340 6.694 7.601 1.00 22.42 N ATOM 427 CA LEU A 28 7.552 6.410 8.814 1.00 5.32 C ATOM 428 C LEU A 28 8.048 5.121 9.482 1.00 25.12 C ATOM 429 O LEU A 28 8.418 4.160 8.792 1.00 54.00 O ATOM 430 CB LEU A 28 6.045 6.251 8.473 1.00 2.10 C ATOM 431 CG LEU A 28 5.345 7.458 7.797 1.00 4.42 C ATOM 432 CD1 LEU A 28 3.852 7.169 7.583 1.00 3.13 C ATOM 433 CD2 LEU A 28 5.548 8.749 8.602 1.00 1.24 C ATOM 0 H LEU A 28 7.791 6.683 6.742 1.00 22.42 H new ATOM 0 HA LEU A 28 7.678 7.252 9.495 1.00 5.32 H new ATOM 0 HB2 LEU A 28 5.935 5.386 7.819 1.00 2.10 H new ATOM 0 HB3 LEU A 28 5.511 6.023 9.396 1.00 2.10 H new ATOM 0 HG LEU A 28 5.807 7.607 6.821 1.00 4.42 H new ATOM 0 HD11 LEU A 28 3.380 8.029 7.108 1.00 3.13 H new ATOM 0 HD12 LEU A 28 3.739 6.293 6.944 1.00 3.13 H new ATOM 0 HD13 LEU A 28 3.376 6.980 8.545 1.00 3.13 H new ATOM 0 HD21 LEU A 28 5.044 9.574 8.099 1.00 1.24 H new ATOM 0 HD22 LEU A 28 5.131 8.624 9.601 1.00 1.24 H new ATOM 0 HD23 LEU A 28 6.613 8.967 8.678 1.00 1.24 H new ATOM 445 N THR A 29 8.061 5.117 10.817 1.00 11.30 N ATOM 446 CA THR A 29 8.352 3.915 11.596 1.00 34.44 C ATOM 447 C THR A 29 7.152 2.958 11.526 1.00 32.55 C ATOM 448 O THR A 29 6.014 3.393 11.263 1.00 14.23 O ATOM 449 CB THR A 29 8.655 4.273 13.084 1.00 52.04 C ATOM 450 OG1 THR A 29 7.503 4.881 13.679 1.00 15.21 O ATOM 451 CG2 THR A 29 9.856 5.225 13.216 1.00 53.10 C ATOM 0 H THR A 29 7.871 5.943 11.384 1.00 11.30 H new ATOM 0 HA THR A 29 9.234 3.433 11.175 1.00 34.44 H new ATOM 0 HB THR A 29 8.903 3.345 13.600 1.00 52.04 H new ATOM 0 HG1 THR A 29 7.696 5.103 14.614 1.00 15.21 H new ATOM 0 HG21 THR A 29 10.030 5.447 14.269 1.00 53.10 H new ATOM 0 HG22 THR A 29 10.743 4.753 12.793 1.00 53.10 H new ATOM 0 HG23 THR A 29 9.647 6.151 12.680 1.00 53.10 H new ATOM 459 N ALA A 30 7.416 1.661 11.746 1.00 20.00 N ATOM 460 CA ALA A 30 6.370 0.632 11.851 1.00 54.22 C ATOM 461 C ALA A 30 5.396 0.963 12.992 1.00 42.25 C ATOM 462 O ALA A 30 4.187 0.764 12.856 1.00 42.22 O ATOM 463 CB ALA A 30 7.010 -0.752 12.039 1.00 23.21 C ATOM 0 H ALA A 30 8.362 1.296 11.856 1.00 20.00 H new ATOM 0 HA ALA A 30 5.794 0.616 10.926 1.00 54.22 H new ATOM 0 HB1 ALA A 30 6.228 -1.507 12.116 1.00 23.21 H new ATOM 0 HB2 ALA A 30 7.649 -0.977 11.185 1.00 23.21 H new ATOM 0 HB3 ALA A 30 7.608 -0.755 12.950 1.00 23.21 H new ATOM 469 N ASP A 31 5.956 1.496 14.099 1.00 31.14 N ATOM 470 CA ASP A 31 5.195 1.946 15.283 1.00 4.13 C ATOM 471 C ASP A 31 4.186 3.048 14.913 1.00 21.43 C ATOM 472 O ASP A 31 3.002 2.966 15.283 1.00 45.13 O ATOM 473 CB ASP A 31 6.167 2.467 16.388 1.00 71.54 C ATOM 474 CG ASP A 31 7.062 1.367 17.000 1.00 2.24 C ATOM 475 OD1 ASP A 31 7.895 0.793 16.271 1.00 53.43 O ATOM 476 OD2 ASP A 31 6.939 1.068 18.210 1.00 33.04 O ATOM 0 H ASP A 31 6.963 1.627 14.196 1.00 31.14 H new ATOM 0 HA ASP A 31 4.641 1.089 15.667 1.00 4.13 H new ATOM 0 HB2 ASP A 31 6.802 3.244 15.963 1.00 71.54 H new ATOM 0 HB3 ASP A 31 5.583 2.931 17.183 1.00 71.54 H new ATOM 481 N TYR A 32 4.662 4.076 14.164 1.00 0.10 N ATOM 482 CA TYR A 32 3.823 5.218 13.769 1.00 13.43 C ATOM 483 C TYR A 32 2.713 4.750 12.842 1.00 1.12 C ATOM 484 O TYR A 32 1.554 5.120 13.034 1.00 11.13 O ATOM 485 CB TYR A 32 4.625 6.358 13.085 1.00 13.31 C ATOM 486 CG TYR A 32 3.750 7.577 12.723 1.00 5.32 C ATOM 487 CD1 TYR A 32 3.283 8.438 13.717 1.00 3.50 C ATOM 488 CD2 TYR A 32 3.351 7.831 11.405 1.00 21.41 C ATOM 489 CE1 TYR A 32 2.466 9.510 13.414 1.00 65.30 C ATOM 490 CE2 TYR A 32 2.526 8.899 11.097 1.00 54.51 C ATOM 491 CZ TYR A 32 2.088 9.736 12.105 1.00 15.23 C ATOM 492 OH TYR A 32 1.260 10.799 11.809 1.00 63.11 O ATOM 0 H TYR A 32 5.623 4.130 13.826 1.00 0.10 H new ATOM 0 HA TYR A 32 3.404 5.629 14.687 1.00 13.43 H new ATOM 0 HB2 TYR A 32 5.428 6.678 13.748 1.00 13.31 H new ATOM 0 HB3 TYR A 32 5.094 5.972 12.180 1.00 13.31 H new ATOM 0 HD1 TYR A 32 3.566 8.263 14.744 1.00 3.50 H new ATOM 0 HD2 TYR A 32 3.694 7.181 10.613 1.00 21.41 H new ATOM 0 HE1 TYR A 32 2.124 10.169 14.198 1.00 65.30 H new ATOM 0 HE2 TYR A 32 2.227 9.077 10.075 1.00 54.51 H new ATOM 0 HH TYR A 32 1.089 10.821 10.844 1.00 63.11 H new ATOM 502 N PHE A 33 3.088 3.916 11.847 1.00 32.10 N ATOM 503 CA PHE A 33 2.140 3.364 10.871 1.00 53.35 C ATOM 504 C PHE A 33 1.014 2.629 11.601 1.00 13.25 C ATOM 505 O PHE A 33 -0.152 2.816 11.280 1.00 43.44 O ATOM 506 CB PHE A 33 2.843 2.389 9.890 1.00 13.30 C ATOM 507 CG PHE A 33 1.920 1.819 8.800 1.00 3.01 C ATOM 508 CD1 PHE A 33 1.112 0.696 9.031 1.00 23.14 C ATOM 509 CD2 PHE A 33 1.829 2.428 7.557 1.00 31.05 C ATOM 510 CE1 PHE A 33 0.254 0.222 8.060 1.00 50.05 C ATOM 511 CE2 PHE A 33 0.981 1.939 6.586 1.00 74.12 C ATOM 512 CZ PHE A 33 0.189 0.842 6.836 1.00 62.23 C ATOM 0 H PHE A 33 4.051 3.612 11.704 1.00 32.10 H new ATOM 0 HA PHE A 33 1.730 4.193 10.295 1.00 53.35 H new ATOM 0 HB2 PHE A 33 3.674 2.908 9.412 1.00 13.30 H new ATOM 0 HB3 PHE A 33 3.269 1.562 10.459 1.00 13.30 H new ATOM 0 HD1 PHE A 33 1.162 0.194 9.986 1.00 23.14 H new ATOM 0 HD2 PHE A 33 2.432 3.299 7.346 1.00 31.05 H new ATOM 0 HE1 PHE A 33 -0.367 -0.638 8.263 1.00 50.05 H new ATOM 0 HE2 PHE A 33 0.938 2.421 5.621 1.00 74.12 H new ATOM 0 HZ PHE A 33 -0.480 0.470 6.074 1.00 62.23 H new ATOM 522 N GLU A 34 1.408 1.809 12.588 1.00 42.02 N ATOM 523 CA GLU A 34 0.499 0.900 13.289 1.00 50.15 C ATOM 524 C GLU A 34 -0.586 1.670 14.071 1.00 11.21 C ATOM 525 O GLU A 34 -1.769 1.349 13.976 1.00 75.02 O ATOM 526 CB GLU A 34 1.303 -0.025 14.233 1.00 42.13 C ATOM 527 CG GLU A 34 0.512 -1.236 14.761 1.00 61.31 C ATOM 528 CD GLU A 34 0.005 -2.160 13.633 1.00 14.41 C ATOM 529 OE1 GLU A 34 0.823 -2.926 13.067 1.00 22.11 O ATOM 530 OE2 GLU A 34 -1.207 -2.127 13.302 1.00 63.20 O ATOM 0 H GLU A 34 2.371 1.761 12.921 1.00 42.02 H new ATOM 0 HA GLU A 34 -0.012 0.291 12.544 1.00 50.15 H new ATOM 0 HB2 GLU A 34 2.185 -0.385 13.704 1.00 42.13 H new ATOM 0 HB3 GLU A 34 1.657 0.561 15.081 1.00 42.13 H new ATOM 0 HG2 GLU A 34 1.145 -1.810 15.437 1.00 61.31 H new ATOM 0 HG3 GLU A 34 -0.338 -0.882 15.344 1.00 61.31 H new ATOM 537 N LYS A 35 -0.166 2.697 14.832 1.00 31.23 N ATOM 538 CA LYS A 35 -1.090 3.512 15.647 1.00 10.44 C ATOM 539 C LYS A 35 -1.965 4.414 14.767 1.00 3.11 C ATOM 540 O LYS A 35 -3.149 4.587 15.054 1.00 23.34 O ATOM 541 CB LYS A 35 -0.308 4.329 16.726 1.00 71.11 C ATOM 542 CG LYS A 35 -0.430 3.767 18.167 1.00 61.10 C ATOM 543 CD LYS A 35 -0.063 2.261 18.286 1.00 3.44 C ATOM 544 CE LYS A 35 1.390 1.967 17.917 1.00 11.13 C ATOM 545 NZ LYS A 35 1.716 0.527 18.075 1.00 34.14 N ATOM 0 H LYS A 35 0.810 2.984 14.901 1.00 31.23 H new ATOM 0 HA LYS A 35 -1.763 2.835 16.174 1.00 10.44 H new ATOM 0 HB2 LYS A 35 0.746 4.359 16.449 1.00 71.11 H new ATOM 0 HB3 LYS A 35 -0.669 5.357 16.718 1.00 71.11 H new ATOM 0 HG2 LYS A 35 0.218 4.343 18.828 1.00 61.10 H new ATOM 0 HG3 LYS A 35 -1.452 3.911 18.518 1.00 61.10 H new ATOM 0 HD2 LYS A 35 -0.247 1.928 19.308 1.00 3.44 H new ATOM 0 HD3 LYS A 35 -0.721 1.681 17.639 1.00 3.44 H new ATOM 0 HE2 LYS A 35 1.572 2.270 16.886 1.00 11.13 H new ATOM 0 HE3 LYS A 35 2.053 2.561 18.546 1.00 11.13 H new ATOM 0 HZ1 LYS A 35 2.710 0.366 17.816 1.00 34.14 H new ATOM 0 HZ2 LYS A 35 1.566 0.244 19.064 1.00 34.14 H new ATOM 0 HZ3 LYS A 35 1.101 -0.038 17.456 1.00 34.14 H new ATOM 559 N THR A 36 -1.370 4.970 13.694 1.00 71.32 N ATOM 560 CA THR A 36 -2.099 5.789 12.708 1.00 74.22 C ATOM 561 C THR A 36 -3.171 4.929 12.003 1.00 5.31 C ATOM 562 O THR A 36 -4.305 5.373 11.802 1.00 74.21 O ATOM 563 CB THR A 36 -1.115 6.421 11.665 1.00 24.22 C ATOM 564 OG1 THR A 36 -0.092 7.156 12.365 1.00 51.20 O ATOM 565 CG2 THR A 36 -1.819 7.378 10.691 1.00 21.43 C ATOM 0 H THR A 36 -0.377 4.865 13.488 1.00 71.32 H new ATOM 0 HA THR A 36 -2.593 6.607 13.231 1.00 74.22 H new ATOM 0 HB THR A 36 -0.692 5.601 11.084 1.00 24.22 H new ATOM 0 HG1 THR A 36 0.644 6.552 12.597 1.00 51.20 H new ATOM 0 HG21 THR A 36 -1.090 7.786 9.991 1.00 21.43 H new ATOM 0 HG22 THR A 36 -2.587 6.836 10.139 1.00 21.43 H new ATOM 0 HG23 THR A 36 -2.280 8.192 11.250 1.00 21.43 H new ATOM 573 N TRP A 37 -2.793 3.667 11.709 1.00 35.52 N ATOM 574 CA TRP A 37 -3.658 2.682 11.051 1.00 51.45 C ATOM 575 C TRP A 37 -4.890 2.388 11.920 1.00 2.14 C ATOM 576 O TRP A 37 -6.024 2.497 11.454 1.00 4.22 O ATOM 577 CB TRP A 37 -2.855 1.374 10.759 1.00 62.20 C ATOM 578 CG TRP A 37 -3.665 0.290 10.085 1.00 14.23 C ATOM 579 CD1 TRP A 37 -4.297 -0.762 10.684 1.00 40.14 C ATOM 580 CD2 TRP A 37 -3.938 0.171 8.683 1.00 12.33 C ATOM 581 NE1 TRP A 37 -4.960 -1.507 9.747 1.00 3.30 N ATOM 582 CE2 TRP A 37 -4.753 -0.960 8.512 1.00 52.42 C ATOM 583 CE3 TRP A 37 -3.576 0.918 7.564 1.00 23.51 C ATOM 584 CZ2 TRP A 37 -5.218 -1.355 7.264 1.00 40.44 C ATOM 585 CZ3 TRP A 37 -4.034 0.526 6.324 1.00 11.14 C ATOM 586 CH2 TRP A 37 -4.849 -0.597 6.183 1.00 2.14 C ATOM 0 H TRP A 37 -1.865 3.305 11.928 1.00 35.52 H new ATOM 0 HA TRP A 37 -4.004 3.092 10.102 1.00 51.45 H new ATOM 0 HB2 TRP A 37 -2.000 1.618 10.129 1.00 62.20 H new ATOM 0 HB3 TRP A 37 -2.459 0.986 11.698 1.00 62.20 H new ATOM 0 HD1 TRP A 37 -4.277 -0.975 11.743 1.00 40.14 H new ATOM 0 HE1 TRP A 37 -5.519 -2.338 9.940 1.00 3.30 H new ATOM 0 HE3 TRP A 37 -2.947 1.790 7.666 1.00 23.51 H new ATOM 0 HZ2 TRP A 37 -5.846 -2.226 7.150 1.00 40.44 H new ATOM 0 HZ3 TRP A 37 -3.758 1.097 5.450 1.00 11.14 H new ATOM 0 HH2 TRP A 37 -5.197 -0.876 5.200 1.00 2.14 H new ATOM 597 N LEU A 38 -4.644 2.049 13.192 1.00 40.12 N ATOM 598 CA LEU A 38 -5.705 1.678 14.146 1.00 32.04 C ATOM 599 C LEU A 38 -6.547 2.906 14.578 1.00 44.40 C ATOM 600 O LEU A 38 -7.690 2.752 15.028 1.00 33.21 O ATOM 601 CB LEU A 38 -5.066 0.952 15.368 1.00 65.41 C ATOM 602 CG LEU A 38 -4.315 -0.387 15.043 1.00 23.24 C ATOM 603 CD1 LEU A 38 -3.602 -0.958 16.285 1.00 60.55 C ATOM 604 CD2 LEU A 38 -5.265 -1.430 14.418 1.00 10.23 C ATOM 0 H LEU A 38 -3.706 2.023 13.592 1.00 40.12 H new ATOM 0 HA LEU A 38 -6.398 0.995 13.655 1.00 32.04 H new ATOM 0 HB2 LEU A 38 -4.364 1.634 15.847 1.00 65.41 H new ATOM 0 HB3 LEU A 38 -5.851 0.741 16.094 1.00 65.41 H new ATOM 0 HG LEU A 38 -3.548 -0.153 14.305 1.00 23.24 H new ATOM 0 HD11 LEU A 38 -3.094 -1.885 16.019 1.00 60.55 H new ATOM 0 HD12 LEU A 38 -2.872 -0.236 16.650 1.00 60.55 H new ATOM 0 HD13 LEU A 38 -4.336 -1.158 17.066 1.00 60.55 H new ATOM 0 HD21 LEU A 38 -4.712 -2.345 14.206 1.00 10.23 H new ATOM 0 HD22 LEU A 38 -6.074 -1.649 15.115 1.00 10.23 H new ATOM 0 HD23 LEU A 38 -5.681 -1.034 13.491 1.00 10.23 H new ATOM 616 N SER A 39 -5.975 4.122 14.441 1.00 42.50 N ATOM 617 CA SER A 39 -6.680 5.393 14.734 1.00 2.20 C ATOM 618 C SER A 39 -7.530 5.868 13.536 1.00 34.41 C ATOM 619 O SER A 39 -8.405 6.729 13.702 1.00 70.45 O ATOM 620 CB SER A 39 -5.667 6.491 15.134 1.00 14.34 C ATOM 621 OG SER A 39 -6.315 7.694 15.541 1.00 0.25 O ATOM 0 H SER A 39 -5.014 4.252 14.125 1.00 42.50 H new ATOM 0 HA SER A 39 -7.356 5.206 15.568 1.00 2.20 H new ATOM 0 HB2 SER A 39 -5.038 6.126 15.946 1.00 14.34 H new ATOM 0 HB3 SER A 39 -5.009 6.701 14.291 1.00 14.34 H new ATOM 0 HG SER A 39 -7.194 7.754 15.111 1.00 0.25 H new ATOM 627 N LEU A 40 -7.274 5.325 12.334 1.00 24.05 N ATOM 628 CA LEU A 40 -8.009 5.689 11.105 1.00 13.21 C ATOM 629 C LEU A 40 -8.864 4.495 10.622 1.00 21.24 C ATOM 630 O LEU A 40 -8.671 3.353 11.062 1.00 22.23 O ATOM 631 CB LEU A 40 -7.009 6.125 10.005 1.00 52.31 C ATOM 632 CG LEU A 40 -6.188 7.425 10.255 1.00 52.11 C ATOM 633 CD1 LEU A 40 -5.137 7.630 9.153 1.00 1.32 C ATOM 634 CD2 LEU A 40 -7.109 8.641 10.350 1.00 34.32 C ATOM 0 H LEU A 40 -6.552 4.621 12.184 1.00 24.05 H new ATOM 0 HA LEU A 40 -8.676 6.523 11.321 1.00 13.21 H new ATOM 0 HB2 LEU A 40 -6.305 5.308 9.847 1.00 52.31 H new ATOM 0 HB3 LEU A 40 -7.565 6.251 9.076 1.00 52.31 H new ATOM 0 HG LEU A 40 -5.668 7.315 11.207 1.00 52.11 H new ATOM 0 HD11 LEU A 40 -4.577 8.544 9.350 1.00 1.32 H new ATOM 0 HD12 LEU A 40 -4.453 6.781 9.140 1.00 1.32 H new ATOM 0 HD13 LEU A 40 -5.634 7.710 8.186 1.00 1.32 H new ATOM 0 HD21 LEU A 40 -6.513 9.536 10.525 1.00 34.32 H new ATOM 0 HD22 LEU A 40 -7.664 8.751 9.418 1.00 34.32 H new ATOM 0 HD23 LEU A 40 -7.808 8.504 11.175 1.00 34.32 H new ATOM 646 N LYS A 41 -9.796 4.769 9.691 1.00 32.11 N ATOM 647 CA LYS A 41 -10.691 3.753 9.092 1.00 3.21 C ATOM 648 C LYS A 41 -10.430 3.678 7.576 1.00 11.31 C ATOM 649 O LYS A 41 -10.071 4.691 6.958 1.00 5.51 O ATOM 650 CB LYS A 41 -12.177 4.098 9.371 1.00 34.33 C ATOM 651 CG LYS A 41 -12.557 4.157 10.871 1.00 71.11 C ATOM 652 CD LYS A 41 -14.068 4.424 11.091 1.00 1.52 C ATOM 653 CE LYS A 41 -14.447 4.565 12.574 1.00 3.45 C ATOM 654 NZ LYS A 41 -15.904 4.836 12.754 1.00 75.14 N ATOM 0 H LYS A 41 -9.953 5.709 9.328 1.00 32.11 H new ATOM 0 HA LYS A 41 -10.483 2.783 9.543 1.00 3.21 H new ATOM 0 HB2 LYS A 41 -12.404 5.061 8.915 1.00 34.33 H new ATOM 0 HB3 LYS A 41 -12.807 3.356 8.880 1.00 34.33 H new ATOM 0 HG2 LYS A 41 -12.284 3.216 11.349 1.00 71.11 H new ATOM 0 HG3 LYS A 41 -11.978 4.941 11.358 1.00 71.11 H new ATOM 0 HD2 LYS A 41 -14.351 5.334 10.562 1.00 1.52 H new ATOM 0 HD3 LYS A 41 -14.642 3.609 10.652 1.00 1.52 H new ATOM 0 HE2 LYS A 41 -14.180 3.652 13.105 1.00 3.45 H new ATOM 0 HE3 LYS A 41 -13.870 5.374 13.021 1.00 3.45 H new ATOM 0 HZ1 LYS A 41 -16.118 4.924 13.768 1.00 75.14 H new ATOM 0 HZ2 LYS A 41 -16.155 5.721 12.269 1.00 75.14 H new ATOM 0 HZ3 LYS A 41 -16.455 4.052 12.351 1.00 75.14 H new ATOM 668 N VAL A 42 -10.598 2.469 6.993 1.00 41.34 N ATOM 669 CA VAL A 42 -10.251 2.190 5.582 1.00 30.02 C ATOM 670 C VAL A 42 -11.153 3.000 4.615 1.00 11.34 C ATOM 671 O VAL A 42 -12.385 2.956 4.718 1.00 22.33 O ATOM 672 CB VAL A 42 -10.343 0.643 5.251 1.00 54.54 C ATOM 673 CG1 VAL A 42 -9.934 0.340 3.788 1.00 13.32 C ATOM 674 CG2 VAL A 42 -9.493 -0.196 6.236 1.00 12.14 C ATOM 0 H VAL A 42 -10.977 1.661 7.487 1.00 41.34 H new ATOM 0 HA VAL A 42 -9.217 2.504 5.439 1.00 30.02 H new ATOM 0 HB VAL A 42 -11.388 0.357 5.370 1.00 54.54 H new ATOM 0 HG11 VAL A 42 -10.011 -0.731 3.603 1.00 13.32 H new ATOM 0 HG12 VAL A 42 -10.596 0.874 3.107 1.00 13.32 H new ATOM 0 HG13 VAL A 42 -8.906 0.663 3.623 1.00 13.32 H new ATOM 0 HG21 VAL A 42 -9.578 -1.252 5.981 1.00 12.14 H new ATOM 0 HG22 VAL A 42 -8.449 0.111 6.168 1.00 12.14 H new ATOM 0 HG23 VAL A 42 -9.853 -0.038 7.253 1.00 12.14 H new ATOM 684 N ALA A 43 -10.507 3.720 3.677 1.00 70.13 N ATOM 685 CA ALA A 43 -11.192 4.609 2.708 1.00 64.30 C ATOM 686 C ALA A 43 -11.683 3.817 1.490 1.00 64.43 C ATOM 687 O ALA A 43 -12.795 4.033 0.994 1.00 21.43 O ATOM 688 CB ALA A 43 -10.245 5.731 2.265 1.00 61.13 C ATOM 0 H ALA A 43 -9.493 3.704 3.567 1.00 70.13 H new ATOM 0 HA ALA A 43 -12.060 5.049 3.199 1.00 64.30 H new ATOM 0 HB1 ALA A 43 -10.757 6.379 1.553 1.00 61.13 H new ATOM 0 HB2 ALA A 43 -9.941 6.315 3.134 1.00 61.13 H new ATOM 0 HB3 ALA A 43 -9.363 5.298 1.792 1.00 61.13 H new ATOM 694 N HIS A 44 -10.831 2.904 1.017 1.00 42.54 N ATOM 695 CA HIS A 44 -11.130 2.011 -0.113 1.00 53.04 C ATOM 696 C HIS A 44 -10.373 0.702 0.089 1.00 13.34 C ATOM 697 O HIS A 44 -9.255 0.706 0.606 1.00 43.13 O ATOM 698 CB HIS A 44 -10.704 2.684 -1.447 1.00 23.12 C ATOM 699 CG HIS A 44 -11.025 1.907 -2.713 1.00 13.22 C ATOM 700 ND1 HIS A 44 -12.098 2.242 -3.504 1.00 73.41 N ATOM 701 CD2 HIS A 44 -10.352 0.884 -3.310 1.00 23.33 C ATOM 702 CE1 HIS A 44 -12.048 1.435 -4.551 1.00 41.12 C ATOM 703 NE2 HIS A 44 -11.008 0.596 -4.476 1.00 72.31 N ATOM 0 H HIS A 44 -9.901 2.760 1.411 1.00 42.54 H new ATOM 0 HA HIS A 44 -12.200 1.811 -0.159 1.00 53.04 H new ATOM 0 HB2 HIS A 44 -11.186 3.659 -1.510 1.00 23.12 H new ATOM 0 HB3 HIS A 44 -9.629 2.862 -1.415 1.00 23.12 H new ATOM 0 HD1 HIS A 44 -12.792 2.966 -3.321 1.00 73.41 H new ATOM 0 HD2 HIS A 44 -9.467 0.393 -2.934 1.00 23.33 H new ATOM 0 HE1 HIS A 44 -12.758 1.451 -5.365 1.00 41.12 H new ATOM 711 N GLN A 45 -10.974 -0.411 -0.343 1.00 34.52 N ATOM 712 CA GLN A 45 -10.325 -1.726 -0.307 1.00 5.13 C ATOM 713 C GLN A 45 -10.543 -2.404 -1.665 1.00 24.44 C ATOM 714 O GLN A 45 -11.682 -2.661 -2.059 1.00 32.55 O ATOM 715 CB GLN A 45 -10.879 -2.591 0.858 1.00 70.22 C ATOM 716 CG GLN A 45 -10.092 -3.891 1.121 1.00 42.21 C ATOM 717 CD GLN A 45 -10.607 -4.675 2.330 1.00 42.40 C ATOM 718 OE1 GLN A 45 -11.457 -5.558 2.211 1.00 10.12 O ATOM 719 NE2 GLN A 45 -10.113 -4.341 3.512 1.00 42.42 N ATOM 0 H GLN A 45 -11.919 -0.427 -0.726 1.00 34.52 H new ATOM 0 HA GLN A 45 -9.257 -1.610 -0.125 1.00 5.13 H new ATOM 0 HB2 GLN A 45 -10.881 -1.992 1.769 1.00 70.22 H new ATOM 0 HB3 GLN A 45 -11.916 -2.847 0.642 1.00 70.22 H new ATOM 0 HG2 GLN A 45 -10.145 -4.525 0.236 1.00 42.21 H new ATOM 0 HG3 GLN A 45 -9.041 -3.647 1.276 1.00 42.21 H new ATOM 0 HE21 GLN A 45 -9.410 -3.606 3.581 1.00 42.42 H new ATOM 0 HE22 GLN A 45 -10.436 -4.819 4.353 1.00 42.42 H new ATOM 728 N GLN A 46 -9.442 -2.698 -2.359 1.00 63.44 N ATOM 729 CA GLN A 46 -9.451 -3.254 -3.716 1.00 64.12 C ATOM 730 C GLN A 46 -8.809 -4.631 -3.664 1.00 50.52 C ATOM 731 O GLN A 46 -7.708 -4.784 -3.146 1.00 5.33 O ATOM 732 CB GLN A 46 -8.659 -2.326 -4.689 1.00 51.42 C ATOM 733 CG GLN A 46 -8.472 -2.878 -6.129 1.00 13.04 C ATOM 734 CD GLN A 46 -9.761 -2.982 -6.961 1.00 33.40 C ATOM 735 OE1 GLN A 46 -10.866 -3.139 -6.439 1.00 10.22 O ATOM 736 NE2 GLN A 46 -9.619 -2.928 -8.278 1.00 60.32 N ATOM 0 H GLN A 46 -8.502 -2.554 -1.989 1.00 63.44 H new ATOM 0 HA GLN A 46 -10.475 -3.328 -4.083 1.00 64.12 H new ATOM 0 HB2 GLN A 46 -9.174 -1.367 -4.749 1.00 51.42 H new ATOM 0 HB3 GLN A 46 -7.675 -2.134 -4.261 1.00 51.42 H new ATOM 0 HG2 GLN A 46 -7.767 -2.237 -6.658 1.00 13.04 H new ATOM 0 HG3 GLN A 46 -8.018 -3.867 -6.066 1.00 13.04 H new ATOM 0 HE21 GLN A 46 -8.693 -2.797 -8.686 1.00 60.32 H new ATOM 0 HE22 GLN A 46 -10.435 -3.017 -8.883 1.00 60.32 H new ATOM 745 N VAL A 47 -9.514 -5.631 -4.186 1.00 71.32 N ATOM 746 CA VAL A 47 -9.013 -7.005 -4.257 1.00 44.41 C ATOM 747 C VAL A 47 -8.533 -7.277 -5.685 1.00 75.03 C ATOM 748 O VAL A 47 -9.296 -7.112 -6.639 1.00 33.10 O ATOM 749 CB VAL A 47 -10.123 -8.040 -3.832 1.00 60.42 C ATOM 750 CG1 VAL A 47 -9.587 -9.492 -3.850 1.00 74.13 C ATOM 751 CG2 VAL A 47 -10.707 -7.675 -2.445 1.00 40.52 C ATOM 0 H VAL A 47 -10.450 -5.514 -4.573 1.00 71.32 H new ATOM 0 HA VAL A 47 -8.183 -7.123 -3.561 1.00 44.41 H new ATOM 0 HB VAL A 47 -10.927 -7.985 -4.566 1.00 60.42 H new ATOM 0 HG11 VAL A 47 -10.381 -10.177 -3.551 1.00 74.13 H new ATOM 0 HG12 VAL A 47 -9.251 -9.743 -4.856 1.00 74.13 H new ATOM 0 HG13 VAL A 47 -8.752 -9.580 -3.155 1.00 74.13 H new ATOM 0 HG21 VAL A 47 -11.472 -8.401 -2.170 1.00 40.52 H new ATOM 0 HG22 VAL A 47 -9.911 -7.686 -1.701 1.00 40.52 H new ATOM 0 HG23 VAL A 47 -11.150 -6.680 -2.487 1.00 40.52 H new ATOM 761 N LEU A 48 -7.257 -7.659 -5.828 1.00 44.12 N ATOM 762 CA LEU A 48 -6.645 -7.992 -7.115 1.00 10.04 C ATOM 763 C LEU A 48 -6.182 -9.455 -7.073 1.00 20.35 C ATOM 764 O LEU A 48 -5.496 -9.851 -6.121 1.00 43.52 O ATOM 765 CB LEU A 48 -5.447 -7.053 -7.425 1.00 61.45 C ATOM 766 CG LEU A 48 -5.788 -5.546 -7.607 1.00 54.22 C ATOM 767 CD1 LEU A 48 -4.526 -4.738 -7.939 1.00 70.20 C ATOM 768 CD2 LEU A 48 -6.886 -5.345 -8.674 1.00 34.03 C ATOM 0 H LEU A 48 -6.615 -7.746 -5.040 1.00 44.12 H new ATOM 0 HA LEU A 48 -7.380 -7.856 -7.909 1.00 10.04 H new ATOM 0 HB2 LEU A 48 -4.721 -7.145 -6.617 1.00 61.45 H new ATOM 0 HB3 LEU A 48 -4.960 -7.407 -8.334 1.00 61.45 H new ATOM 0 HG LEU A 48 -6.183 -5.173 -6.662 1.00 54.22 H new ATOM 0 HD11 LEU A 48 -4.789 -3.687 -8.062 1.00 70.20 H new ATOM 0 HD12 LEU A 48 -3.805 -4.839 -7.128 1.00 70.20 H new ATOM 0 HD13 LEU A 48 -4.087 -5.113 -8.864 1.00 70.20 H new ATOM 0 HD21 LEU A 48 -7.102 -4.282 -8.778 1.00 34.03 H new ATOM 0 HD22 LEU A 48 -6.542 -5.740 -9.630 1.00 34.03 H new ATOM 0 HD23 LEU A 48 -7.791 -5.871 -8.369 1.00 34.03 H new ATOM 780 N PRO A 49 -6.556 -10.289 -8.087 1.00 42.04 N ATOM 781 CA PRO A 49 -6.131 -11.696 -8.139 1.00 55.13 C ATOM 782 C PRO A 49 -4.640 -11.817 -8.538 1.00 50.10 C ATOM 783 O PRO A 49 -4.253 -11.452 -9.655 1.00 12.33 O ATOM 784 CB PRO A 49 -7.078 -12.311 -9.201 1.00 55.42 C ATOM 785 CG PRO A 49 -7.420 -11.169 -10.119 1.00 10.24 C ATOM 786 CD PRO A 49 -7.409 -9.918 -9.258 1.00 2.04 C ATOM 0 HA PRO A 49 -6.198 -12.206 -7.178 1.00 55.13 H new ATOM 0 HB2 PRO A 49 -6.591 -13.122 -9.743 1.00 55.42 H new ATOM 0 HB3 PRO A 49 -7.973 -12.728 -8.739 1.00 55.42 H new ATOM 0 HG2 PRO A 49 -6.696 -11.090 -10.930 1.00 10.24 H new ATOM 0 HG3 PRO A 49 -8.397 -11.317 -10.578 1.00 10.24 H new ATOM 0 HD2 PRO A 49 -6.996 -9.066 -9.798 1.00 2.04 H new ATOM 0 HD3 PRO A 49 -8.416 -9.640 -8.946 1.00 2.04 H new ATOM 794 N TRP A 50 -3.802 -12.302 -7.604 1.00 23.52 N ATOM 795 CA TRP A 50 -2.366 -12.502 -7.853 1.00 3.32 C ATOM 796 C TRP A 50 -2.229 -13.821 -8.641 1.00 30.22 C ATOM 797 O TRP A 50 -2.736 -14.859 -8.201 1.00 23.31 O ATOM 798 CB TRP A 50 -1.574 -12.518 -6.513 1.00 24.43 C ATOM 799 CG TRP A 50 -0.078 -12.332 -6.674 1.00 34.00 C ATOM 800 CD1 TRP A 50 0.842 -13.292 -6.966 1.00 34.43 C ATOM 801 CD2 TRP A 50 0.671 -11.103 -6.546 1.00 71.04 C ATOM 802 NE1 TRP A 50 2.091 -12.740 -7.058 1.00 55.03 N ATOM 803 CE2 TRP A 50 2.020 -11.408 -6.787 1.00 42.41 C ATOM 804 CE3 TRP A 50 0.332 -9.779 -6.256 1.00 12.03 C ATOM 805 CZ2 TRP A 50 3.029 -10.451 -6.746 1.00 62.00 C ATOM 806 CZ3 TRP A 50 1.336 -8.824 -6.215 1.00 73.40 C ATOM 807 CH2 TRP A 50 2.669 -9.167 -6.457 1.00 2.44 C ATOM 0 H TRP A 50 -4.099 -12.564 -6.664 1.00 23.52 H new ATOM 0 HA TRP A 50 -1.942 -11.684 -8.435 1.00 3.32 H new ATOM 0 HB2 TRP A 50 -1.959 -11.730 -5.866 1.00 24.43 H new ATOM 0 HB3 TRP A 50 -1.759 -13.465 -6.006 1.00 24.43 H new ATOM 0 HD1 TRP A 50 0.618 -14.339 -7.105 1.00 34.43 H new ATOM 0 HE1 TRP A 50 2.943 -13.248 -7.293 1.00 55.03 H new ATOM 0 HE3 TRP A 50 -0.695 -9.504 -6.067 1.00 12.03 H new ATOM 0 HZ2 TRP A 50 4.059 -10.715 -6.936 1.00 62.00 H new ATOM 0 HZ3 TRP A 50 1.084 -7.798 -5.992 1.00 73.40 H new ATOM 0 HH2 TRP A 50 3.429 -8.401 -6.414 1.00 2.44 H new ATOM 864 N PHE A 54 4.218 -16.112 -7.224 1.00 63.53 N ATOM 865 CA PHE A 54 4.246 -15.045 -6.224 1.00 72.14 C ATOM 866 C PHE A 54 5.592 -14.308 -6.285 1.00 14.23 C ATOM 867 O PHE A 54 6.650 -14.929 -6.187 1.00 22.12 O ATOM 868 CB PHE A 54 3.967 -15.618 -4.815 1.00 32.23 C ATOM 869 CG PHE A 54 3.957 -14.574 -3.709 1.00 4.52 C ATOM 870 CD1 PHE A 54 3.339 -13.330 -3.905 1.00 73.55 C ATOM 871 CD2 PHE A 54 4.576 -14.817 -2.483 1.00 20.24 C ATOM 872 CE1 PHE A 54 3.345 -12.379 -2.916 1.00 14.45 C ATOM 873 CE2 PHE A 54 4.577 -13.863 -1.500 1.00 64.21 C ATOM 874 CZ PHE A 54 3.962 -12.649 -1.721 1.00 60.15 C ATOM 0 HA PHE A 54 3.459 -14.324 -6.442 1.00 72.14 H new ATOM 0 HB2 PHE A 54 3.004 -16.128 -4.827 1.00 32.23 H new ATOM 0 HB3 PHE A 54 4.723 -16.369 -4.584 1.00 32.23 H new ATOM 0 HD1 PHE A 54 2.853 -13.118 -4.846 1.00 73.55 H new ATOM 0 HD2 PHE A 54 5.059 -15.767 -2.307 1.00 20.24 H new ATOM 0 HE1 PHE A 54 2.867 -11.424 -3.077 1.00 14.45 H new ATOM 0 HE2 PHE A 54 5.059 -14.061 -0.554 1.00 64.21 H new ATOM 0 HZ PHE A 54 3.966 -11.900 -0.943 1.00 60.15 H new ATOM 884 N HIS A 55 5.537 -12.967 -6.436 1.00 3.34 N ATOM 885 CA HIS A 55 6.738 -12.119 -6.592 1.00 72.00 C ATOM 886 C HIS A 55 6.715 -10.947 -5.565 1.00 33.23 C ATOM 887 O HIS A 55 6.342 -9.820 -5.925 1.00 42.35 O ATOM 888 CB HIS A 55 6.818 -11.548 -8.039 1.00 24.05 C ATOM 889 CG HIS A 55 6.640 -12.537 -9.165 1.00 23.21 C ATOM 890 ND1 HIS A 55 7.687 -13.208 -9.765 1.00 42.44 N ATOM 891 CD2 HIS A 55 5.528 -12.920 -9.836 1.00 33.25 C ATOM 892 CE1 HIS A 55 7.224 -13.941 -10.758 1.00 44.20 C ATOM 893 NE2 HIS A 55 5.917 -13.782 -10.816 1.00 31.30 N ATOM 0 H HIS A 55 4.662 -12.444 -6.453 1.00 3.34 H new ATOM 0 HA HIS A 55 7.617 -12.736 -6.406 1.00 72.00 H new ATOM 0 HB2 HIS A 55 6.058 -10.773 -8.142 1.00 24.05 H new ATOM 0 HB3 HIS A 55 7.786 -11.063 -8.161 1.00 24.05 H new ATOM 0 HD2 HIS A 55 4.517 -12.600 -9.631 1.00 33.25 H new ATOM 0 HE1 HIS A 55 7.815 -14.565 -11.412 1.00 44.20 H new ATOM 0 HE2 HIS A 55 5.296 -14.233 -11.488 1.00 31.30 H new ATOM 902 N PRO A 56 7.084 -11.187 -4.263 1.00 41.11 N ATOM 903 CA PRO A 56 7.061 -10.125 -3.216 1.00 33.22 C ATOM 904 C PRO A 56 8.231 -9.120 -3.331 1.00 32.34 C ATOM 905 O PRO A 56 8.041 -7.916 -3.117 1.00 3.21 O ATOM 906 CB PRO A 56 7.134 -10.938 -1.904 1.00 30.52 C ATOM 907 CG PRO A 56 7.899 -12.178 -2.265 1.00 43.51 C ATOM 908 CD PRO A 56 7.518 -12.504 -3.699 1.00 44.15 C ATOM 0 HA PRO A 56 6.178 -9.491 -3.294 1.00 33.22 H new ATOM 0 HB2 PRO A 56 7.639 -10.376 -1.118 1.00 30.52 H new ATOM 0 HB3 PRO A 56 6.138 -11.181 -1.533 1.00 30.52 H new ATOM 0 HG2 PRO A 56 8.973 -12.014 -2.175 1.00 43.51 H new ATOM 0 HG3 PRO A 56 7.645 -13.001 -1.597 1.00 43.51 H new ATOM 0 HD2 PRO A 56 8.361 -12.918 -4.252 1.00 44.15 H new ATOM 0 HD3 PRO A 56 6.716 -13.241 -3.742 1.00 44.15 H new ATOM 916 N ASP A 57 9.440 -9.632 -3.642 1.00 12.52 N ATOM 917 CA ASP A 57 10.650 -8.799 -3.824 1.00 40.43 C ATOM 918 C ASP A 57 10.505 -7.921 -5.069 1.00 63.32 C ATOM 919 O ASP A 57 10.929 -6.769 -5.065 1.00 71.40 O ATOM 920 CB ASP A 57 11.929 -9.673 -3.931 1.00 63.35 C ATOM 921 CG ASP A 57 12.197 -10.509 -2.665 1.00 53.32 C ATOM 922 OD1 ASP A 57 11.527 -11.552 -2.476 1.00 24.14 O ATOM 923 OD2 ASP A 57 13.074 -10.133 -1.851 1.00 24.13 O ATOM 0 H ASP A 57 9.606 -10.630 -3.774 1.00 12.52 H new ATOM 0 HA ASP A 57 10.752 -8.161 -2.946 1.00 40.43 H new ATOM 0 HB2 ASP A 57 11.835 -10.341 -4.787 1.00 63.35 H new ATOM 0 HB3 ASP A 57 12.787 -9.029 -4.122 1.00 63.35 H new ATOM 928 N THR A 58 9.868 -8.480 -6.117 1.00 31.32 N ATOM 929 CA THR A 58 9.588 -7.763 -7.365 1.00 13.10 C ATOM 930 C THR A 58 8.542 -6.667 -7.107 1.00 11.33 C ATOM 931 O THR A 58 8.645 -5.564 -7.654 1.00 12.10 O ATOM 932 CB THR A 58 9.072 -8.747 -8.456 1.00 53.43 C ATOM 933 OG1 THR A 58 9.985 -9.840 -8.577 1.00 73.41 O ATOM 934 CG2 THR A 58 8.901 -8.085 -9.833 1.00 53.22 C ATOM 0 H THR A 58 9.535 -9.444 -6.116 1.00 31.32 H new ATOM 0 HA THR A 58 10.510 -7.305 -7.723 1.00 13.10 H new ATOM 0 HB THR A 58 8.088 -9.088 -8.135 1.00 53.43 H new ATOM 0 HG1 THR A 58 9.662 -10.462 -9.262 1.00 73.41 H new ATOM 0 HG21 THR A 58 8.539 -8.823 -10.549 1.00 53.22 H new ATOM 0 HG22 THR A 58 8.182 -7.269 -9.758 1.00 53.22 H new ATOM 0 HG23 THR A 58 9.861 -7.693 -10.170 1.00 53.22 H new ATOM 942 N LEU A 59 7.540 -6.997 -6.256 1.00 14.43 N ATOM 943 CA LEU A 59 6.523 -6.036 -5.808 1.00 21.21 C ATOM 944 C LEU A 59 7.200 -4.847 -5.101 1.00 15.10 C ATOM 945 O LEU A 59 6.936 -3.701 -5.443 1.00 65.43 O ATOM 946 CB LEU A 59 5.476 -6.734 -4.900 1.00 32.04 C ATOM 947 CG LEU A 59 4.235 -5.887 -4.469 1.00 44.45 C ATOM 948 CD1 LEU A 59 3.487 -5.300 -5.686 1.00 44.51 C ATOM 949 CD2 LEU A 59 3.287 -6.727 -3.593 1.00 40.35 C ATOM 0 H LEU A 59 7.421 -7.933 -5.868 1.00 14.43 H new ATOM 0 HA LEU A 59 5.988 -5.647 -6.674 1.00 21.21 H new ATOM 0 HB2 LEU A 59 5.116 -7.623 -5.419 1.00 32.04 H new ATOM 0 HB3 LEU A 59 5.984 -7.075 -3.998 1.00 32.04 H new ATOM 0 HG LEU A 59 4.599 -5.045 -3.880 1.00 44.45 H new ATOM 0 HD11 LEU A 59 2.632 -4.719 -5.342 1.00 44.51 H new ATOM 0 HD12 LEU A 59 4.160 -4.655 -6.251 1.00 44.51 H new ATOM 0 HD13 LEU A 59 3.140 -6.111 -6.326 1.00 44.51 H new ATOM 0 HD21 LEU A 59 2.429 -6.122 -3.302 1.00 40.35 H new ATOM 0 HD22 LEU A 59 2.945 -7.595 -4.156 1.00 40.35 H new ATOM 0 HD23 LEU A 59 3.816 -7.060 -2.700 1.00 40.35 H new ATOM 961 N GLN A 60 8.155 -5.169 -4.202 1.00 13.14 N ATOM 962 CA GLN A 60 8.906 -4.184 -3.396 1.00 75.20 C ATOM 963 C GLN A 60 9.739 -3.256 -4.323 1.00 43.30 C ATOM 964 O GLN A 60 9.726 -2.032 -4.160 1.00 33.02 O ATOM 965 CB GLN A 60 9.810 -4.943 -2.360 1.00 13.33 C ATOM 966 CG GLN A 60 10.140 -4.179 -1.046 1.00 54.21 C ATOM 967 CD GLN A 60 11.015 -2.933 -1.236 1.00 4.51 C ATOM 968 OE1 GLN A 60 12.246 -3.004 -1.226 1.00 53.03 O ATOM 969 NE2 GLN A 60 10.390 -1.775 -1.375 1.00 50.30 N ATOM 0 H GLN A 60 8.429 -6.133 -4.014 1.00 13.14 H new ATOM 0 HA GLN A 60 8.213 -3.550 -2.842 1.00 75.20 H new ATOM 0 HB2 GLN A 60 9.318 -5.879 -2.097 1.00 13.33 H new ATOM 0 HB3 GLN A 60 10.748 -5.203 -2.850 1.00 13.33 H new ATOM 0 HG2 GLN A 60 9.206 -3.882 -0.569 1.00 54.21 H new ATOM 0 HG3 GLN A 60 10.645 -4.861 -0.361 1.00 54.21 H new ATOM 0 HE21 GLN A 60 9.371 -1.743 -1.380 1.00 50.30 H new ATOM 0 HE22 GLN A 60 10.928 -0.914 -1.477 1.00 50.30 H new ATOM 978 N MET A 61 10.429 -3.862 -5.311 1.00 22.02 N ATOM 979 CA MET A 61 11.272 -3.129 -6.288 1.00 33.20 C ATOM 980 C MET A 61 10.433 -2.187 -7.175 1.00 74.53 C ATOM 981 O MET A 61 10.900 -1.106 -7.544 1.00 62.45 O ATOM 982 CB MET A 61 12.081 -4.123 -7.169 1.00 25.31 C ATOM 983 CG MET A 61 13.129 -4.939 -6.402 1.00 15.31 C ATOM 984 SD MET A 61 13.859 -6.247 -7.416 1.00 41.12 S ATOM 985 CE MET A 61 14.827 -7.146 -6.201 1.00 64.23 C ATOM 0 H MET A 61 10.420 -4.871 -5.457 1.00 22.02 H new ATOM 0 HA MET A 61 11.969 -2.514 -5.719 1.00 33.20 H new ATOM 0 HB2 MET A 61 11.386 -4.809 -7.653 1.00 25.31 H new ATOM 0 HB3 MET A 61 12.581 -3.565 -7.961 1.00 25.31 H new ATOM 0 HG2 MET A 61 13.917 -4.274 -6.049 1.00 15.31 H new ATOM 0 HG3 MET A 61 12.667 -5.382 -5.520 1.00 15.31 H new ATOM 0 HE1 MET A 61 15.333 -7.981 -6.685 1.00 64.23 H new ATOM 0 HE2 MET A 61 15.568 -6.479 -5.760 1.00 64.23 H new ATOM 0 HE3 MET A 61 14.169 -7.524 -5.419 1.00 64.23 H new ATOM 995 N ALA A 62 9.200 -2.608 -7.511 1.00 32.20 N ATOM 996 CA ALA A 62 8.258 -1.790 -8.296 1.00 23.41 C ATOM 997 C ALA A 62 7.789 -0.574 -7.478 1.00 11.44 C ATOM 998 O ALA A 62 7.699 0.539 -8.013 1.00 34.42 O ATOM 999 CB ALA A 62 7.070 -2.643 -8.753 1.00 62.31 C ATOM 0 H ALA A 62 8.830 -3.521 -7.247 1.00 32.20 H new ATOM 0 HA ALA A 62 8.769 -1.417 -9.184 1.00 23.41 H new ATOM 0 HB1 ALA A 62 6.381 -2.027 -9.332 1.00 62.31 H new ATOM 0 HB2 ALA A 62 7.429 -3.465 -9.372 1.00 62.31 H new ATOM 0 HB3 ALA A 62 6.553 -3.044 -7.881 1.00 62.31 H new ATOM 1005 N LEU A 63 7.538 -0.809 -6.164 1.00 53.23 N ATOM 1006 CA LEU A 63 7.144 0.246 -5.205 1.00 25.24 C ATOM 1007 C LEU A 63 8.200 1.360 -5.160 1.00 10.12 C ATOM 1008 O LEU A 63 7.857 2.539 -5.160 1.00 71.24 O ATOM 1009 CB LEU A 63 6.932 -0.355 -3.791 1.00 71.14 C ATOM 1010 CG LEU A 63 5.818 -1.431 -3.681 1.00 3.23 C ATOM 1011 CD1 LEU A 63 5.864 -2.140 -2.322 1.00 45.24 C ATOM 1012 CD2 LEU A 63 4.430 -0.837 -3.969 1.00 25.41 C ATOM 0 H LEU A 63 7.604 -1.736 -5.744 1.00 53.23 H new ATOM 0 HA LEU A 63 6.202 0.679 -5.542 1.00 25.24 H new ATOM 0 HB2 LEU A 63 7.872 -0.795 -3.458 1.00 71.14 H new ATOM 0 HB3 LEU A 63 6.698 0.457 -3.102 1.00 71.14 H new ATOM 0 HG LEU A 63 6.008 -2.183 -4.447 1.00 3.23 H new ATOM 0 HD11 LEU A 63 5.072 -2.888 -2.275 1.00 45.24 H new ATOM 0 HD12 LEU A 63 6.831 -2.627 -2.198 1.00 45.24 H new ATOM 0 HD13 LEU A 63 5.721 -1.410 -1.526 1.00 45.24 H new ATOM 0 HD21 LEU A 63 3.675 -1.618 -3.883 1.00 25.41 H new ATOM 0 HD22 LEU A 63 4.217 -0.046 -3.250 1.00 25.41 H new ATOM 0 HD23 LEU A 63 4.413 -0.425 -4.978 1.00 25.41 H new ATOM 1024 N GLN A 64 9.485 0.951 -5.151 1.00 4.51 N ATOM 1025 CA GLN A 64 10.637 1.877 -5.198 1.00 45.31 C ATOM 1026 C GLN A 64 10.518 2.856 -6.384 1.00 52.32 C ATOM 1027 O GLN A 64 10.636 4.078 -6.204 1.00 1.23 O ATOM 1028 CB GLN A 64 11.964 1.076 -5.302 1.00 13.31 C ATOM 1029 CG GLN A 64 12.215 0.101 -4.136 1.00 41.03 C ATOM 1030 CD GLN A 64 13.477 -0.758 -4.301 1.00 60.44 C ATOM 1031 OE1 GLN A 64 14.458 -0.344 -4.921 1.00 31.02 O ATOM 1032 NE2 GLN A 64 13.466 -1.960 -3.743 1.00 74.50 N ATOM 0 H GLN A 64 9.754 -0.032 -5.111 1.00 4.51 H new ATOM 0 HA GLN A 64 10.639 2.458 -4.276 1.00 45.31 H new ATOM 0 HB2 GLN A 64 11.962 0.513 -6.235 1.00 13.31 H new ATOM 0 HB3 GLN A 64 12.795 1.779 -5.356 1.00 13.31 H new ATOM 0 HG2 GLN A 64 12.294 0.671 -3.210 1.00 41.03 H new ATOM 0 HG3 GLN A 64 11.351 -0.556 -4.033 1.00 41.03 H new ATOM 0 HE21 GLN A 64 12.641 -2.279 -3.235 1.00 74.50 H new ATOM 0 HE22 GLN A 64 14.283 -2.566 -3.821 1.00 74.50 H new ATOM 1041 N VAL A 65 10.214 2.318 -7.580 1.00 53.04 N ATOM 1042 CA VAL A 65 10.143 3.109 -8.827 1.00 23.12 C ATOM 1043 C VAL A 65 8.962 4.100 -8.792 1.00 23.35 C ATOM 1044 O VAL A 65 9.037 5.192 -9.370 1.00 23.20 O ATOM 1045 CB VAL A 65 10.027 2.162 -10.083 1.00 24.21 C ATOM 1046 CG1 VAL A 65 10.062 2.946 -11.419 1.00 24.42 C ATOM 1047 CG2 VAL A 65 11.133 1.089 -10.058 1.00 20.42 C ATOM 0 H VAL A 65 10.011 1.327 -7.711 1.00 53.04 H new ATOM 0 HA VAL A 65 11.066 3.684 -8.908 1.00 23.12 H new ATOM 0 HB VAL A 65 9.055 1.672 -10.024 1.00 24.21 H new ATOM 0 HG11 VAL A 65 9.979 2.248 -12.252 1.00 24.42 H new ATOM 0 HG12 VAL A 65 9.230 3.649 -11.450 1.00 24.42 H new ATOM 0 HG13 VAL A 65 11.002 3.493 -11.496 1.00 24.42 H new ATOM 0 HG21 VAL A 65 11.036 0.446 -10.933 1.00 20.42 H new ATOM 0 HG22 VAL A 65 12.110 1.573 -10.070 1.00 20.42 H new ATOM 0 HG23 VAL A 65 11.037 0.488 -9.153 1.00 20.42 H new ATOM 1057 N VAL A 66 7.876 3.722 -8.089 1.00 41.12 N ATOM 1058 CA VAL A 66 6.649 4.548 -7.996 1.00 41.14 C ATOM 1059 C VAL A 66 6.558 5.281 -6.640 1.00 63.41 C ATOM 1060 O VAL A 66 5.484 5.801 -6.284 1.00 14.40 O ATOM 1061 CB VAL A 66 5.359 3.679 -8.228 1.00 13.31 C ATOM 1062 CG1 VAL A 66 5.382 3.015 -9.619 1.00 43.00 C ATOM 1063 CG2 VAL A 66 5.184 2.627 -7.119 1.00 20.23 C ATOM 0 H VAL A 66 7.821 2.844 -7.573 1.00 41.12 H new ATOM 0 HA VAL A 66 6.710 5.298 -8.785 1.00 41.14 H new ATOM 0 HB VAL A 66 4.500 4.348 -8.187 1.00 13.31 H new ATOM 0 HG11 VAL A 66 4.479 2.420 -9.753 1.00 43.00 H new ATOM 0 HG12 VAL A 66 5.427 3.785 -10.389 1.00 43.00 H new ATOM 0 HG13 VAL A 66 6.257 2.370 -9.700 1.00 43.00 H new ATOM 0 HG21 VAL A 66 4.283 2.044 -7.310 1.00 20.23 H new ATOM 0 HG22 VAL A 66 6.049 1.964 -7.106 1.00 20.23 H new ATOM 0 HG23 VAL A 66 5.095 3.127 -6.154 1.00 20.23 H new ATOM 1073 N ASN A 67 7.687 5.311 -5.894 1.00 2.45 N ATOM 1074 CA ASN A 67 7.851 6.138 -4.672 1.00 44.13 C ATOM 1075 C ASN A 67 6.876 5.751 -3.531 1.00 72.33 C ATOM 1076 O ASN A 67 6.493 6.598 -2.714 1.00 53.31 O ATOM 1077 CB ASN A 67 7.724 7.647 -5.027 1.00 41.32 C ATOM 1078 CG ASN A 67 8.810 8.140 -5.986 1.00 43.15 C ATOM 1079 OD1 ASN A 67 8.659 8.068 -7.207 1.00 53.43 O ATOM 1080 ND2 ASN A 67 9.912 8.650 -5.448 1.00 44.22 N ATOM 0 H ASN A 67 8.514 4.760 -6.123 1.00 2.45 H new ATOM 0 HA ASN A 67 8.851 5.939 -4.288 1.00 44.13 H new ATOM 0 HB2 ASN A 67 6.746 7.826 -5.474 1.00 41.32 H new ATOM 0 HB3 ASN A 67 7.767 8.233 -4.109 1.00 41.32 H new ATOM 0 HD21 ASN A 67 10.661 8.995 -6.049 1.00 44.22 H new ATOM 0 HD22 ASN A 67 10.010 8.697 -4.434 1.00 44.22 H new ATOM 1087 N ILE A 68 6.499 4.470 -3.462 1.00 71.14 N ATOM 1088 CA ILE A 68 5.689 3.925 -2.356 1.00 74.21 C ATOM 1089 C ILE A 68 6.633 3.257 -1.336 1.00 61.24 C ATOM 1090 O ILE A 68 7.320 2.284 -1.665 1.00 74.24 O ATOM 1091 CB ILE A 68 4.614 2.890 -2.865 1.00 62.53 C ATOM 1092 CG1 ILE A 68 3.697 3.524 -3.961 1.00 74.20 C ATOM 1093 CG2 ILE A 68 3.770 2.330 -1.688 1.00 1.32 C ATOM 1094 CD1 ILE A 68 2.914 4.749 -3.531 1.00 15.22 C ATOM 0 H ILE A 68 6.745 3.778 -4.170 1.00 71.14 H new ATOM 0 HA ILE A 68 5.143 4.745 -1.888 1.00 74.21 H new ATOM 0 HB ILE A 68 5.148 2.054 -3.317 1.00 62.53 H new ATOM 0 HG12 ILE A 68 4.316 3.793 -4.817 1.00 74.20 H new ATOM 0 HG13 ILE A 68 2.992 2.766 -4.303 1.00 74.20 H new ATOM 0 HG21 ILE A 68 3.038 1.619 -2.071 1.00 1.32 H new ATOM 0 HG22 ILE A 68 4.426 1.828 -0.977 1.00 1.32 H new ATOM 0 HG23 ILE A 68 3.253 3.150 -1.189 1.00 1.32 H new ATOM 0 HD11 ILE A 68 2.312 5.108 -4.366 1.00 15.22 H new ATOM 0 HD12 ILE A 68 2.261 4.489 -2.698 1.00 15.22 H new ATOM 0 HD13 ILE A 68 3.605 5.532 -3.220 1.00 15.22 H new ATOM 1106 N GLN A 69 6.677 3.814 -0.118 1.00 41.42 N ATOM 1107 CA GLN A 69 7.536 3.331 0.982 1.00 22.23 C ATOM 1108 C GLN A 69 7.048 1.956 1.496 1.00 32.24 C ATOM 1109 O GLN A 69 5.845 1.696 1.534 1.00 45.43 O ATOM 1110 CB GLN A 69 7.510 4.373 2.134 1.00 65.25 C ATOM 1111 CG GLN A 69 8.367 4.011 3.365 1.00 61.55 C ATOM 1112 CD GLN A 69 8.073 4.879 4.588 1.00 72.32 C ATOM 1113 OE1 GLN A 69 7.692 6.048 4.475 1.00 52.22 O ATOM 1114 NE2 GLN A 69 8.234 4.311 5.768 1.00 51.21 N ATOM 0 H GLN A 69 6.111 4.623 0.138 1.00 41.42 H new ATOM 0 HA GLN A 69 8.555 3.210 0.615 1.00 22.23 H new ATOM 0 HB2 GLN A 69 7.850 5.332 1.743 1.00 65.25 H new ATOM 0 HB3 GLN A 69 6.478 4.509 2.457 1.00 65.25 H new ATOM 0 HG2 GLN A 69 8.197 2.965 3.622 1.00 61.55 H new ATOM 0 HG3 GLN A 69 9.421 4.108 3.105 1.00 61.55 H new ATOM 0 HE21 GLN A 69 8.550 3.343 5.829 1.00 51.21 H new ATOM 0 HE22 GLN A 69 8.042 4.840 6.619 1.00 51.21 H new ATOM 1123 N THR A 70 7.996 1.084 1.867 1.00 71.32 N ATOM 1124 CA THR A 70 7.705 -0.201 2.522 1.00 44.34 C ATOM 1125 C THR A 70 7.959 -0.079 4.040 1.00 64.23 C ATOM 1126 O THR A 70 9.095 0.146 4.475 1.00 71.32 O ATOM 1127 CB THR A 70 8.567 -1.352 1.908 1.00 53.33 C ATOM 1128 OG1 THR A 70 8.262 -1.480 0.503 1.00 51.41 O ATOM 1129 CG2 THR A 70 8.329 -2.703 2.617 1.00 0.45 C ATOM 0 H THR A 70 8.992 1.250 1.721 1.00 71.32 H new ATOM 0 HA THR A 70 6.657 -0.449 2.355 1.00 44.34 H new ATOM 0 HB THR A 70 9.616 -1.092 2.047 1.00 53.33 H new ATOM 0 HG1 THR A 70 7.921 -2.381 0.323 1.00 51.41 H new ATOM 0 HG21 THR A 70 8.950 -3.471 2.155 1.00 0.45 H new ATOM 0 HG22 THR A 70 8.590 -2.611 3.671 1.00 0.45 H new ATOM 0 HG23 THR A 70 7.279 -2.982 2.526 1.00 0.45 H new ATOM 1137 N ILE A 71 6.877 -0.197 4.818 1.00 54.23 N ATOM 1138 CA ILE A 71 6.900 -0.212 6.292 1.00 4.32 C ATOM 1139 C ILE A 71 7.302 -1.614 6.782 1.00 62.22 C ATOM 1140 O ILE A 71 8.254 -1.776 7.556 1.00 55.32 O ATOM 1141 CB ILE A 71 5.476 0.179 6.850 1.00 55.43 C ATOM 1142 CG1 ILE A 71 5.126 1.654 6.485 1.00 2.05 C ATOM 1143 CG2 ILE A 71 5.343 -0.078 8.373 1.00 12.22 C ATOM 1144 CD1 ILE A 71 5.913 2.695 7.250 1.00 52.21 C ATOM 0 H ILE A 71 5.936 -0.287 4.434 1.00 54.23 H new ATOM 0 HA ILE A 71 7.628 0.513 6.656 1.00 4.32 H new ATOM 0 HB ILE A 71 4.750 -0.474 6.366 1.00 55.43 H new ATOM 0 HG12 ILE A 71 5.295 1.801 5.418 1.00 2.05 H new ATOM 0 HG13 ILE A 71 4.063 1.817 6.664 1.00 2.05 H new ATOM 0 HG21 ILE A 71 4.345 0.208 8.704 1.00 12.22 H new ATOM 0 HG22 ILE A 71 5.504 -1.136 8.579 1.00 12.22 H new ATOM 0 HG23 ILE A 71 6.086 0.513 8.908 1.00 12.22 H new ATOM 0 HD11 ILE A 71 5.604 3.691 6.932 1.00 52.21 H new ATOM 0 HD12 ILE A 71 5.726 2.581 8.318 1.00 52.21 H new ATOM 0 HD13 ILE A 71 6.977 2.565 7.052 1.00 52.21 H new ATOM 1156 N ALA A 72 6.563 -2.622 6.313 1.00 4.34 N ATOM 1157 CA ALA A 72 6.806 -4.029 6.642 1.00 5.15 C ATOM 1158 C ALA A 72 6.476 -4.899 5.433 1.00 70.43 C ATOM 1159 O ALA A 72 5.717 -4.486 4.547 1.00 53.13 O ATOM 1160 CB ALA A 72 5.978 -4.443 7.862 1.00 51.00 C ATOM 0 H ALA A 72 5.770 -2.483 5.687 1.00 4.34 H new ATOM 0 HA ALA A 72 7.858 -4.165 6.893 1.00 5.15 H new ATOM 0 HB1 ALA A 72 6.170 -5.491 8.093 1.00 51.00 H new ATOM 0 HB2 ALA A 72 6.256 -3.826 8.717 1.00 51.00 H new ATOM 0 HB3 ALA A 72 4.918 -4.307 7.646 1.00 51.00 H new ATOM 1166 N MET A 73 7.060 -6.097 5.406 1.00 63.04 N ATOM 1167 CA MET A 73 6.889 -7.059 4.315 1.00 34.32 C ATOM 1168 C MET A 73 7.165 -8.471 4.861 1.00 71.33 C ATOM 1169 O MET A 73 8.236 -8.716 5.433 1.00 20.21 O ATOM 1170 CB MET A 73 7.871 -6.716 3.158 1.00 31.40 C ATOM 1171 CG MET A 73 7.578 -7.418 1.821 1.00 2.25 C ATOM 1172 SD MET A 73 6.110 -6.776 0.988 1.00 3.11 S ATOM 1173 CE MET A 73 6.607 -5.134 0.492 1.00 15.35 C ATOM 0 H MET A 73 7.673 -6.432 6.150 1.00 63.04 H new ATOM 0 HA MET A 73 5.872 -7.015 3.925 1.00 34.32 H new ATOM 0 HB2 MET A 73 7.854 -5.638 2.996 1.00 31.40 H new ATOM 0 HB3 MET A 73 8.882 -6.975 3.472 1.00 31.40 H new ATOM 0 HG2 MET A 73 8.440 -7.306 1.163 1.00 2.25 H new ATOM 0 HG3 MET A 73 7.449 -8.486 1.999 1.00 2.25 H new ATOM 0 HE1 MET A 73 6.109 -4.397 1.123 1.00 15.35 H new ATOM 0 HE2 MET A 73 7.687 -5.033 0.599 1.00 15.35 H new ATOM 0 HE3 MET A 73 6.328 -4.968 -0.549 1.00 15.35 H new ATOM 1183 N SER A 74 6.191 -9.385 4.716 1.00 43.50 N ATOM 1184 CA SER A 74 6.364 -10.802 5.092 1.00 62.51 C ATOM 1185 C SER A 74 7.214 -11.518 4.021 1.00 32.21 C ATOM 1186 O SER A 74 7.398 -10.993 2.916 1.00 50.42 O ATOM 1187 CB SER A 74 4.989 -11.488 5.273 1.00 20.04 C ATOM 1188 OG SER A 74 4.192 -10.812 6.240 1.00 34.35 O ATOM 0 H SER A 74 5.269 -9.167 4.339 1.00 43.50 H new ATOM 0 HA SER A 74 6.886 -10.862 6.047 1.00 62.51 H new ATOM 0 HB2 SER A 74 4.464 -11.510 4.318 1.00 20.04 H new ATOM 0 HB3 SER A 74 5.135 -12.523 5.580 1.00 20.04 H new ATOM 0 HG SER A 74 3.759 -10.038 5.823 1.00 34.35 H new ATOM 1194 N ARG A 75 7.692 -12.721 4.342 1.00 43.43 N ATOM 1195 CA ARG A 75 8.701 -13.432 3.530 1.00 4.10 C ATOM 1196 C ARG A 75 8.047 -14.166 2.330 1.00 33.34 C ATOM 1197 O ARG A 75 6.850 -14.491 2.362 1.00 34.35 O ATOM 1198 CB ARG A 75 9.464 -14.411 4.462 1.00 54.43 C ATOM 1199 CG ARG A 75 10.655 -15.166 3.828 1.00 72.41 C ATOM 1200 CD ARG A 75 11.465 -15.952 4.877 1.00 15.45 C ATOM 1201 NE ARG A 75 10.615 -16.889 5.640 1.00 41.33 N ATOM 1202 CZ ARG A 75 10.558 -16.976 6.981 1.00 33.25 C ATOM 1203 NH1 ARG A 75 11.302 -16.181 7.759 1.00 24.02 N ATOM 1204 NH2 ARG A 75 9.741 -17.850 7.545 1.00 43.04 N ATOM 0 H ARG A 75 7.396 -13.236 5.171 1.00 43.43 H new ATOM 0 HA ARG A 75 9.403 -12.719 3.099 1.00 4.10 H new ATOM 0 HB2 ARG A 75 9.832 -13.850 5.321 1.00 54.43 H new ATOM 0 HB3 ARG A 75 8.755 -15.146 4.841 1.00 54.43 H new ATOM 0 HG2 ARG A 75 10.285 -15.853 3.067 1.00 72.41 H new ATOM 0 HG3 ARG A 75 11.309 -14.454 3.324 1.00 72.41 H new ATOM 0 HD2 ARG A 75 12.261 -16.506 4.380 1.00 15.45 H new ATOM 0 HD3 ARG A 75 11.943 -15.254 5.564 1.00 15.45 H new ATOM 0 HE ARG A 75 10.022 -17.523 5.105 1.00 41.33 H new ATOM 0 HH11 ARG A 75 11.926 -15.494 7.337 1.00 24.02 H new ATOM 0 HH12 ARG A 75 11.245 -16.262 8.774 1.00 24.02 H new ATOM 0 HH21 ARG A 75 9.159 -18.453 6.964 1.00 43.04 H new ATOM 0 HH22 ARG A 75 9.693 -17.921 8.561 1.00 43.04 H new ATOM 1218 N ALA A 76 8.855 -14.403 1.269 1.00 43.33 N ATOM 1219 CA ALA A 76 8.444 -15.171 0.076 1.00 25.52 C ATOM 1220 C ALA A 76 8.043 -16.596 0.473 1.00 5.41 C ATOM 1221 O ALA A 76 8.767 -17.252 1.239 1.00 62.33 O ATOM 1222 CB ALA A 76 9.592 -15.210 -0.952 1.00 55.44 C ATOM 0 H ALA A 76 9.815 -14.063 1.220 1.00 43.33 H new ATOM 0 HA ALA A 76 7.583 -14.679 -0.376 1.00 25.52 H new ATOM 0 HB1 ALA A 76 9.278 -15.779 -1.827 1.00 55.44 H new ATOM 0 HB2 ALA A 76 9.846 -14.193 -1.252 1.00 55.44 H new ATOM 0 HB3 ALA A 76 10.465 -15.685 -0.505 1.00 55.44 H new ATOM 1228 N GLY A 77 6.879 -17.053 -0.020 1.00 34.33 N ATOM 1229 CA GLY A 77 6.346 -18.379 0.312 1.00 63.33 C ATOM 1230 C GLY A 77 5.528 -18.408 1.595 1.00 63.13 C ATOM 1231 O GLY A 77 4.753 -19.352 1.815 1.00 23.03 O ATOM 0 H GLY A 77 6.288 -16.516 -0.654 1.00 34.33 H new ATOM 0 HA2 GLY A 77 5.724 -18.727 -0.513 1.00 63.33 H new ATOM 0 HA3 GLY A 77 7.175 -19.081 0.404 1.00 63.33 H new ATOM 1235 N SER A 78 5.713 -17.392 2.459 1.00 24.42 N ATOM 1236 CA SER A 78 5.036 -17.308 3.753 1.00 14.52 C ATOM 1237 C SER A 78 3.614 -16.760 3.546 1.00 24.23 C ATOM 1238 O SER A 78 3.448 -15.628 3.082 1.00 23.04 O ATOM 1239 CB SER A 78 5.848 -16.402 4.708 1.00 54.50 C ATOM 1240 OG SER A 78 5.290 -16.383 6.009 1.00 53.32 O ATOM 0 H SER A 78 6.339 -16.608 2.273 1.00 24.42 H new ATOM 0 HA SER A 78 4.965 -18.298 4.203 1.00 14.52 H new ATOM 0 HB2 SER A 78 6.878 -16.756 4.758 1.00 54.50 H new ATOM 0 HB3 SER A 78 5.879 -15.388 4.310 1.00 54.50 H new ATOM 0 HG SER A 78 5.828 -15.803 6.587 1.00 53.32 H new ATOM 1246 N ARG A 79 2.600 -17.578 3.893 1.00 1.32 N ATOM 1247 CA ARG A 79 1.175 -17.279 3.647 1.00 61.04 C ATOM 1248 C ARG A 79 0.320 -17.669 4.889 1.00 44.02 C ATOM 1249 O ARG A 79 0.597 -18.705 5.498 1.00 1.45 O ATOM 1250 CB ARG A 79 0.675 -18.026 2.376 1.00 2.54 C ATOM 1251 CG ARG A 79 1.388 -17.629 1.062 1.00 51.24 C ATOM 1252 CD ARG A 79 0.933 -18.475 -0.130 1.00 4.14 C ATOM 1253 NE ARG A 79 1.590 -18.084 -1.389 1.00 71.33 N ATOM 1254 CZ ARG A 79 1.027 -18.196 -2.604 1.00 14.03 C ATOM 1255 NH1 ARG A 79 -0.202 -18.678 -2.726 1.00 31.14 N ATOM 1256 NH2 ARG A 79 1.698 -17.832 -3.690 1.00 55.14 N ATOM 0 H ARG A 79 2.749 -18.474 4.357 1.00 1.32 H new ATOM 0 HA ARG A 79 1.066 -16.208 3.477 1.00 61.04 H new ATOM 0 HB2 ARG A 79 0.800 -19.098 2.530 1.00 2.54 H new ATOM 0 HB3 ARG A 79 -0.393 -17.843 2.262 1.00 2.54 H new ATOM 0 HG2 ARG A 79 1.196 -16.577 0.851 1.00 51.24 H new ATOM 0 HG3 ARG A 79 2.465 -17.737 1.190 1.00 51.24 H new ATOM 0 HD2 ARG A 79 1.143 -19.525 0.074 1.00 4.14 H new ATOM 0 HD3 ARG A 79 -0.147 -18.382 -0.245 1.00 4.14 H new ATOM 0 HE ARG A 79 2.535 -17.703 -1.335 1.00 71.33 H new ATOM 0 HH11 ARG A 79 -0.722 -18.965 -1.897 1.00 31.14 H new ATOM 0 HH12 ARG A 79 -0.627 -18.762 -3.649 1.00 31.14 H new ATOM 0 HH21 ARG A 79 2.646 -17.465 -3.605 1.00 55.14 H new ATOM 0 HH22 ARG A 79 1.266 -17.919 -4.610 1.00 55.14 H new ATOM 1270 N PRO A 80 -0.742 -16.870 5.300 1.00 40.20 N ATOM 1271 CA PRO A 80 -1.192 -15.622 4.621 1.00 14.10 C ATOM 1272 C PRO A 80 -0.153 -14.488 4.727 1.00 65.02 C ATOM 1273 O PRO A 80 0.330 -14.160 5.816 1.00 34.11 O ATOM 1274 CB PRO A 80 -2.512 -15.259 5.351 1.00 34.42 C ATOM 1275 CG PRO A 80 -2.380 -15.882 6.706 1.00 61.14 C ATOM 1276 CD PRO A 80 -1.598 -17.165 6.491 1.00 10.24 C ATOM 0 HA PRO A 80 -1.327 -15.764 3.549 1.00 14.10 H new ATOM 0 HB2 PRO A 80 -2.641 -14.179 5.422 1.00 34.42 H new ATOM 0 HB3 PRO A 80 -3.379 -15.649 4.818 1.00 34.42 H new ATOM 0 HG2 PRO A 80 -1.859 -15.216 7.394 1.00 61.14 H new ATOM 0 HG3 PRO A 80 -3.359 -16.087 7.140 1.00 61.14 H new ATOM 0 HD2 PRO A 80 -0.995 -17.416 7.364 1.00 10.24 H new ATOM 0 HD3 PRO A 80 -2.261 -18.011 6.307 1.00 10.24 H new ATOM 1284 N TRP A 81 0.198 -13.944 3.567 1.00 15.44 N ATOM 1285 CA TRP A 81 1.267 -12.967 3.417 1.00 74.30 C ATOM 1286 C TRP A 81 0.740 -11.568 3.737 1.00 3.44 C ATOM 1287 O TRP A 81 -0.302 -11.170 3.224 1.00 72.04 O ATOM 1288 CB TRP A 81 1.807 -13.055 1.971 1.00 23.42 C ATOM 1289 CG TRP A 81 2.899 -12.075 1.637 1.00 74.04 C ATOM 1290 CD1 TRP A 81 4.236 -12.209 1.879 1.00 34.24 C ATOM 1291 CD2 TRP A 81 2.738 -10.818 0.969 1.00 73.54 C ATOM 1292 NE1 TRP A 81 4.910 -11.114 1.403 1.00 71.33 N ATOM 1293 CE2 TRP A 81 4.012 -10.250 0.837 1.00 3.14 C ATOM 1294 CE3 TRP A 81 1.636 -10.125 0.467 1.00 51.51 C ATOM 1295 CZ2 TRP A 81 4.218 -9.032 0.223 1.00 53.31 C ATOM 1296 CZ3 TRP A 81 1.844 -8.912 -0.141 1.00 64.31 C ATOM 1297 CH2 TRP A 81 3.126 -8.376 -0.264 1.00 45.43 C ATOM 0 H TRP A 81 -0.263 -14.176 2.687 1.00 15.44 H new ATOM 0 HA TRP A 81 2.081 -13.176 4.112 1.00 74.30 H new ATOM 0 HB2 TRP A 81 2.181 -14.064 1.800 1.00 23.42 H new ATOM 0 HB3 TRP A 81 0.978 -12.901 1.280 1.00 23.42 H new ATOM 0 HD1 TRP A 81 4.695 -13.053 2.373 1.00 34.24 H new ATOM 0 HE1 TRP A 81 5.918 -10.967 1.461 1.00 71.33 H new ATOM 0 HE3 TRP A 81 0.640 -10.534 0.555 1.00 51.51 H new ATOM 0 HZ2 TRP A 81 5.209 -8.613 0.131 1.00 53.31 H new ATOM 0 HZ3 TRP A 81 1.000 -8.363 -0.531 1.00 64.31 H new ATOM 0 HH2 TRP A 81 3.256 -7.423 -0.755 1.00 45.43 H new ATOM 1308 N LYS A 82 1.442 -10.843 4.608 1.00 14.35 N ATOM 1309 CA LYS A 82 1.099 -9.458 4.952 1.00 44.54 C ATOM 1310 C LYS A 82 2.190 -8.501 4.455 1.00 42.12 C ATOM 1311 O LYS A 82 3.342 -8.900 4.288 1.00 41.25 O ATOM 1312 CB LYS A 82 0.928 -9.347 6.492 1.00 55.54 C ATOM 1313 CG LYS A 82 0.326 -8.017 6.992 1.00 11.41 C ATOM 1314 CD LYS A 82 -1.097 -7.750 6.452 1.00 1.45 C ATOM 1315 CE LYS A 82 -2.101 -8.864 6.801 1.00 34.24 C ATOM 1316 NZ LYS A 82 -3.489 -8.529 6.377 1.00 33.02 N ATOM 0 H LYS A 82 2.265 -11.197 5.096 1.00 14.35 H new ATOM 0 HA LYS A 82 0.163 -9.180 4.467 1.00 44.54 H new ATOM 0 HB2 LYS A 82 0.292 -10.165 6.831 1.00 55.54 H new ATOM 0 HB3 LYS A 82 1.902 -9.485 6.961 1.00 55.54 H new ATOM 0 HG2 LYS A 82 0.298 -8.026 8.082 1.00 11.41 H new ATOM 0 HG3 LYS A 82 0.979 -7.196 6.696 1.00 11.41 H new ATOM 0 HD2 LYS A 82 -1.460 -6.805 6.855 1.00 1.45 H new ATOM 0 HD3 LYS A 82 -1.052 -7.638 5.369 1.00 1.45 H new ATOM 0 HE2 LYS A 82 -1.791 -9.792 6.321 1.00 34.24 H new ATOM 0 HE3 LYS A 82 -2.085 -9.040 7.877 1.00 34.24 H new ATOM 0 HZ1 LYS A 82 -3.982 -9.397 6.086 1.00 33.02 H new ATOM 0 HZ2 LYS A 82 -3.998 -8.091 7.171 1.00 33.02 H new ATOM 0 HZ3 LYS A 82 -3.457 -7.865 5.578 1.00 33.02 H new ATOM 1330 N ALA A 83 1.804 -7.255 4.179 1.00 3.23 N ATOM 1331 CA ALA A 83 2.742 -6.149 3.971 1.00 75.32 C ATOM 1332 C ALA A 83 2.070 -4.839 4.369 1.00 42.22 C ATOM 1333 O ALA A 83 0.855 -4.686 4.233 1.00 50.31 O ATOM 1334 CB ALA A 83 3.222 -6.096 2.516 1.00 32.34 C ATOM 0 H ALA A 83 0.825 -6.982 4.093 1.00 3.23 H new ATOM 0 HA ALA A 83 3.621 -6.308 4.596 1.00 75.32 H new ATOM 0 HB1 ALA A 83 3.917 -5.265 2.392 1.00 32.34 H new ATOM 0 HB2 ALA A 83 3.725 -7.030 2.264 1.00 32.34 H new ATOM 0 HB3 ALA A 83 2.366 -5.955 1.856 1.00 32.34 H new ATOM 1340 N TYR A 84 2.865 -3.920 4.904 1.00 24.22 N ATOM 1341 CA TYR A 84 2.431 -2.563 5.225 1.00 55.22 C ATOM 1342 C TYR A 84 3.264 -1.582 4.394 1.00 10.21 C ATOM 1343 O TYR A 84 4.490 -1.663 4.381 1.00 15.23 O ATOM 1344 CB TYR A 84 2.581 -2.307 6.747 1.00 13.44 C ATOM 1345 CG TYR A 84 1.743 -3.269 7.608 1.00 34.14 C ATOM 1346 CD1 TYR A 84 0.350 -3.174 7.638 1.00 14.12 C ATOM 1347 CD2 TYR A 84 2.336 -4.284 8.361 1.00 60.53 C ATOM 1348 CE1 TYR A 84 -0.414 -4.052 8.381 1.00 74.12 C ATOM 1349 CE2 TYR A 84 1.576 -5.158 9.109 1.00 51.34 C ATOM 1350 CZ TYR A 84 0.203 -5.041 9.114 1.00 13.24 C ATOM 1351 OH TYR A 84 -0.558 -5.938 9.831 1.00 63.33 O ATOM 0 H TYR A 84 3.843 -4.098 5.131 1.00 24.22 H new ATOM 0 HA TYR A 84 1.378 -2.424 4.979 1.00 55.22 H new ATOM 0 HB2 TYR A 84 3.631 -2.403 7.023 1.00 13.44 H new ATOM 0 HB3 TYR A 84 2.286 -1.281 6.967 1.00 13.44 H new ATOM 0 HD1 TYR A 84 -0.140 -2.398 7.068 1.00 14.12 H new ATOM 0 HD2 TYR A 84 3.411 -4.387 8.358 1.00 60.53 H new ATOM 0 HE1 TYR A 84 -1.490 -3.963 8.387 1.00 74.12 H new ATOM 0 HE2 TYR A 84 2.056 -5.932 9.689 1.00 51.34 H new ATOM 0 HH TYR A 84 0.031 -6.572 10.292 1.00 63.33 H new ATOM 1361 N LEU A 85 2.583 -0.716 3.645 1.00 55.10 N ATOM 1362 CA LEU A 85 3.199 0.305 2.782 1.00 0.42 C ATOM 1363 C LEU A 85 2.673 1.679 3.190 1.00 31.33 C ATOM 1364 O LEU A 85 1.558 1.782 3.677 1.00 72.11 O ATOM 1365 CB LEU A 85 2.828 0.056 1.295 1.00 4.21 C ATOM 1366 CG LEU A 85 3.039 -1.375 0.731 1.00 42.33 C ATOM 1367 CD1 LEU A 85 2.606 -1.438 -0.747 1.00 44.51 C ATOM 1368 CD2 LEU A 85 4.491 -1.848 0.927 1.00 12.23 C ATOM 0 H LEU A 85 1.564 -0.700 3.617 1.00 55.10 H new ATOM 0 HA LEU A 85 4.282 0.255 2.895 1.00 0.42 H new ATOM 0 HB2 LEU A 85 1.778 0.318 1.162 1.00 4.21 H new ATOM 0 HB3 LEU A 85 3.409 0.747 0.684 1.00 4.21 H new ATOM 0 HG LEU A 85 2.408 -2.063 1.293 1.00 42.33 H new ATOM 0 HD11 LEU A 85 2.760 -2.447 -1.128 1.00 44.51 H new ATOM 0 HD12 LEU A 85 1.551 -1.176 -0.829 1.00 44.51 H new ATOM 0 HD13 LEU A 85 3.200 -0.735 -1.331 1.00 44.51 H new ATOM 0 HD21 LEU A 85 4.604 -2.853 0.521 1.00 12.23 H new ATOM 0 HD22 LEU A 85 5.168 -1.169 0.409 1.00 12.23 H new ATOM 0 HD23 LEU A 85 4.730 -1.857 1.990 1.00 12.23 H new ATOM 1380 N SER A 86 3.449 2.728 2.953 1.00 33.32 N ATOM 1381 CA SER A 86 3.015 4.106 3.214 1.00 55.12 C ATOM 1382 C SER A 86 3.471 5.012 2.072 1.00 73.44 C ATOM 1383 O SER A 86 4.423 4.704 1.358 1.00 34.34 O ATOM 1384 CB SER A 86 3.554 4.606 4.573 1.00 40.22 C ATOM 1385 OG SER A 86 4.968 4.534 4.630 1.00 42.00 O ATOM 0 H SER A 86 4.394 2.655 2.576 1.00 33.32 H new ATOM 0 HA SER A 86 1.927 4.131 3.267 1.00 55.12 H new ATOM 0 HB2 SER A 86 3.234 5.635 4.736 1.00 40.22 H new ATOM 0 HB3 SER A 86 3.126 4.008 5.378 1.00 40.22 H new ATOM 0 HG SER A 86 5.298 5.131 5.333 1.00 42.00 H new ATOM 1391 N ALA A 87 2.744 6.104 1.885 1.00 11.32 N ATOM 1392 CA ALA A 87 3.089 7.156 0.929 1.00 54.31 C ATOM 1393 C ALA A 87 2.539 8.484 1.433 1.00 1.10 C ATOM 1394 O ALA A 87 1.784 8.524 2.410 1.00 12.44 O ATOM 1395 CB ALA A 87 2.548 6.826 -0.473 1.00 13.34 C ATOM 0 H ALA A 87 1.883 6.291 2.400 1.00 11.32 H new ATOM 0 HA ALA A 87 4.173 7.227 0.845 1.00 54.31 H new ATOM 0 HB1 ALA A 87 2.818 7.624 -1.164 1.00 13.34 H new ATOM 0 HB2 ALA A 87 2.979 5.886 -0.817 1.00 13.34 H new ATOM 0 HB3 ALA A 87 1.463 6.734 -0.432 1.00 13.34 H new ATOM 1401 N GLN A 88 2.963 9.563 0.798 1.00 51.00 N ATOM 1402 CA GLN A 88 2.471 10.907 1.085 1.00 21.44 C ATOM 1403 C GLN A 88 2.622 11.738 -0.174 1.00 4.40 C ATOM 1404 O GLN A 88 3.713 11.779 -0.742 1.00 73.20 O ATOM 1405 CB GLN A 88 3.282 11.534 2.242 1.00 2.55 C ATOM 1406 CG GLN A 88 2.803 12.936 2.665 1.00 1.22 C ATOM 1407 CD GLN A 88 3.672 13.590 3.735 1.00 52.34 C ATOM 1408 OE1 GLN A 88 3.827 14.810 3.765 1.00 22.12 O ATOM 1409 NE2 GLN A 88 4.223 12.802 4.649 1.00 2.35 N ATOM 0 H GLN A 88 3.666 9.534 0.060 1.00 51.00 H new ATOM 0 HA GLN A 88 1.425 10.871 1.388 1.00 21.44 H new ATOM 0 HB2 GLN A 88 3.234 10.870 3.105 1.00 2.55 H new ATOM 0 HB3 GLN A 88 4.329 11.595 1.945 1.00 2.55 H new ATOM 0 HG2 GLN A 88 2.778 13.581 1.787 1.00 1.22 H new ATOM 0 HG3 GLN A 88 1.781 12.863 3.036 1.00 1.22 H new ATOM 0 HE21 GLN A 88 4.081 11.793 4.605 1.00 2.35 H new ATOM 0 HE22 GLN A 88 4.788 13.205 5.396 1.00 2.35 H new ATOM 1418 N ASP A 89 1.555 12.393 -0.627 1.00 60.34 N ATOM 1419 CA ASP A 89 1.654 13.272 -1.797 1.00 35.24 C ATOM 1420 C ASP A 89 2.205 14.644 -1.361 1.00 0.21 C ATOM 1421 O ASP A 89 2.346 14.923 -0.153 1.00 31.03 O ATOM 1422 CB ASP A 89 0.292 13.387 -2.533 1.00 51.44 C ATOM 1423 CG ASP A 89 -0.736 14.303 -1.856 1.00 14.22 C ATOM 1424 OD1 ASP A 89 -0.852 14.278 -0.625 1.00 43.33 O ATOM 1425 OD2 ASP A 89 -1.442 15.044 -2.568 1.00 62.54 O ATOM 0 H ASP A 89 0.625 12.336 -0.212 1.00 60.34 H new ATOM 0 HA ASP A 89 2.350 12.840 -2.516 1.00 35.24 H new ATOM 0 HB2 ASP A 89 0.472 13.753 -3.544 1.00 51.44 H new ATOM 0 HB3 ASP A 89 -0.138 12.390 -2.627 1.00 51.44 H new ATOM 1430 N ASP A 90 2.514 15.494 -2.337 1.00 13.12 N ATOM 1431 CA ASP A 90 3.158 16.804 -2.096 1.00 62.22 C ATOM 1432 C ASP A 90 2.189 17.843 -1.453 1.00 51.31 C ATOM 1433 O ASP A 90 2.599 18.984 -1.186 1.00 3.23 O ATOM 1434 CB ASP A 90 3.749 17.349 -3.424 1.00 22.05 C ATOM 1435 CG ASP A 90 2.672 17.822 -4.415 1.00 52.05 C ATOM 1436 OD1 ASP A 90 1.885 16.979 -4.893 1.00 1.43 O ATOM 1437 OD2 ASP A 90 2.594 19.030 -4.715 1.00 24.14 O ATOM 0 H ASP A 90 2.329 15.304 -3.322 1.00 13.12 H new ATOM 0 HA ASP A 90 3.961 16.647 -1.376 1.00 62.22 H new ATOM 0 HB2 ASP A 90 4.420 18.179 -3.202 1.00 22.05 H new ATOM 0 HB3 ASP A 90 4.350 16.570 -3.894 1.00 22.05 H new ATOM 1442 N THR A 91 0.912 17.462 -1.205 1.00 73.52 N ATOM 1443 CA THR A 91 -0.049 18.326 -0.457 1.00 30.22 C ATOM 1444 C THR A 91 -0.077 17.933 1.036 1.00 43.12 C ATOM 1445 O THR A 91 -0.591 18.684 1.867 1.00 15.21 O ATOM 1446 CB THR A 91 -1.513 18.295 -1.039 1.00 1.52 C ATOM 1447 OG1 THR A 91 -2.203 17.087 -0.694 1.00 74.34 O ATOM 1448 CG2 THR A 91 -1.512 18.461 -2.567 1.00 21.50 C ATOM 0 H THR A 91 0.521 16.570 -1.507 1.00 73.52 H new ATOM 0 HA THR A 91 0.315 19.347 -0.573 1.00 30.22 H new ATOM 0 HB THR A 91 -2.040 19.136 -0.588 1.00 1.52 H new ATOM 0 HG1 THR A 91 -2.071 16.422 -1.401 1.00 74.34 H new ATOM 0 HG21 THR A 91 -2.537 18.435 -2.936 1.00 21.50 H new ATOM 0 HG22 THR A 91 -1.056 19.416 -2.829 1.00 21.50 H new ATOM 0 HG23 THR A 91 -0.942 17.650 -3.021 1.00 21.50 H new ATOM 1456 N GLY A 92 0.492 16.760 1.365 1.00 52.34 N ATOM 1457 CA GLY A 92 0.601 16.298 2.750 1.00 64.53 C ATOM 1458 C GLY A 92 -0.510 15.363 3.208 1.00 43.33 C ATOM 1459 O GLY A 92 -0.756 15.259 4.413 1.00 64.25 O ATOM 0 H GLY A 92 0.885 16.114 0.681 1.00 52.34 H new ATOM 0 HA2 GLY A 92 1.557 15.789 2.873 1.00 64.53 H new ATOM 0 HA3 GLY A 92 0.617 17.168 3.407 1.00 64.53 H new ATOM 1463 N CYS A 93 -1.208 14.718 2.266 1.00 41.42 N ATOM 1464 CA CYS A 93 -2.125 13.615 2.587 1.00 52.04 C ATOM 1465 C CYS A 93 -1.300 12.321 2.728 1.00 35.40 C ATOM 1466 O CYS A 93 -0.568 11.943 1.809 1.00 1.21 O ATOM 1467 CB CYS A 93 -3.214 13.456 1.497 1.00 4.42 C ATOM 1468 SG CYS A 93 -4.182 14.951 1.194 1.00 12.22 S ATOM 0 H CYS A 93 -1.156 14.941 1.272 1.00 41.42 H new ATOM 0 HA CYS A 93 -2.639 13.831 3.523 1.00 52.04 H new ATOM 0 HB2 CYS A 93 -2.738 13.150 0.565 1.00 4.42 H new ATOM 0 HB3 CYS A 93 -3.890 12.652 1.789 1.00 4.42 H new ATOM 0 HG CYS A 93 -3.480 15.787 0.489 1.00 12.22 H new ATOM 1474 N LEU A 94 -1.418 11.674 3.891 1.00 64.02 N ATOM 1475 CA LEU A 94 -0.693 10.431 4.218 1.00 62.33 C ATOM 1476 C LEU A 94 -1.581 9.244 3.813 1.00 55.43 C ATOM 1477 O LEU A 94 -2.739 9.191 4.205 1.00 61.11 O ATOM 1478 CB LEU A 94 -0.360 10.376 5.755 1.00 10.54 C ATOM 1479 CG LEU A 94 0.902 9.552 6.200 1.00 45.42 C ATOM 1480 CD1 LEU A 94 0.781 8.060 5.857 1.00 44.53 C ATOM 1481 CD2 LEU A 94 2.198 10.158 5.621 1.00 73.31 C ATOM 0 H LEU A 94 -2.025 11.998 4.644 1.00 64.02 H new ATOM 0 HA LEU A 94 0.252 10.392 3.676 1.00 62.33 H new ATOM 0 HB2 LEU A 94 -0.234 11.400 6.108 1.00 10.54 H new ATOM 0 HB3 LEU A 94 -1.228 9.966 6.272 1.00 10.54 H new ATOM 0 HG LEU A 94 0.954 9.619 7.287 1.00 45.42 H new ATOM 0 HD11 LEU A 94 1.679 7.537 6.186 1.00 44.53 H new ATOM 0 HD12 LEU A 94 -0.089 7.640 6.362 1.00 44.53 H new ATOM 0 HD13 LEU A 94 0.667 7.943 4.779 1.00 44.53 H new ATOM 0 HD21 LEU A 94 3.053 9.566 5.946 1.00 73.31 H new ATOM 0 HD22 LEU A 94 2.147 10.154 4.532 1.00 73.31 H new ATOM 0 HD23 LEU A 94 2.310 11.183 5.975 1.00 73.31 H new ATOM 1493 N PHE A 95 -1.012 8.296 3.064 1.00 72.53 N ATOM 1494 CA PHE A 95 -1.695 7.086 2.592 1.00 41.22 C ATOM 1495 C PHE A 95 -1.111 5.863 3.319 1.00 43.31 C ATOM 1496 O PHE A 95 0.109 5.675 3.342 1.00 41.32 O ATOM 1497 CB PHE A 95 -1.506 6.935 1.063 1.00 20.30 C ATOM 1498 CG PHE A 95 -2.007 8.128 0.252 1.00 1.42 C ATOM 1499 CD1 PHE A 95 -3.329 8.188 -0.192 1.00 61.24 C ATOM 1500 CD2 PHE A 95 -1.155 9.194 -0.062 1.00 13.23 C ATOM 1501 CE1 PHE A 95 -3.779 9.271 -0.923 1.00 2.42 C ATOM 1502 CE2 PHE A 95 -1.611 10.273 -0.792 1.00 20.31 C ATOM 1503 CZ PHE A 95 -2.918 10.310 -1.221 1.00 24.31 C ATOM 0 H PHE A 95 -0.040 8.349 2.761 1.00 72.53 H new ATOM 0 HA PHE A 95 -2.761 7.161 2.805 1.00 41.22 H new ATOM 0 HB2 PHE A 95 -0.447 6.785 0.852 1.00 20.30 H new ATOM 0 HB3 PHE A 95 -2.028 6.038 0.730 1.00 20.30 H new ATOM 0 HD1 PHE A 95 -4.007 7.380 0.038 1.00 61.24 H new ATOM 0 HD2 PHE A 95 -0.128 9.172 0.271 1.00 13.23 H new ATOM 0 HE1 PHE A 95 -4.804 9.305 -1.262 1.00 2.42 H new ATOM 0 HE2 PHE A 95 -0.942 11.088 -1.026 1.00 20.31 H new ATOM 0 HZ PHE A 95 -3.272 11.155 -1.793 1.00 24.31 H new ATOM 1513 N LEU A 96 -1.981 5.059 3.925 1.00 12.35 N ATOM 1514 CA LEU A 96 -1.611 3.813 4.606 1.00 71.32 C ATOM 1515 C LEU A 96 -2.161 2.641 3.786 1.00 52.11 C ATOM 1516 O LEU A 96 -3.369 2.532 3.596 1.00 62.35 O ATOM 1517 CB LEU A 96 -2.217 3.782 6.029 1.00 30.11 C ATOM 1518 CG LEU A 96 -1.946 5.008 6.952 1.00 74.22 C ATOM 1519 CD1 LEU A 96 -2.860 4.964 8.179 1.00 62.24 C ATOM 1520 CD2 LEU A 96 -0.470 5.100 7.374 1.00 52.44 C ATOM 0 H LEU A 96 -2.981 5.255 3.959 1.00 12.35 H new ATOM 0 HA LEU A 96 -0.527 3.743 4.692 1.00 71.32 H new ATOM 0 HB2 LEU A 96 -3.296 3.665 5.933 1.00 30.11 H new ATOM 0 HB3 LEU A 96 -1.844 2.891 6.534 1.00 30.11 H new ATOM 0 HG LEU A 96 -2.170 5.906 6.377 1.00 74.22 H new ATOM 0 HD11 LEU A 96 -2.659 5.827 8.814 1.00 62.24 H new ATOM 0 HD12 LEU A 96 -3.901 4.985 7.858 1.00 62.24 H new ATOM 0 HD13 LEU A 96 -2.672 4.049 8.740 1.00 62.24 H new ATOM 0 HD21 LEU A 96 -0.329 5.969 8.016 1.00 52.44 H new ATOM 0 HD22 LEU A 96 -0.190 4.198 7.918 1.00 52.44 H new ATOM 0 HD23 LEU A 96 0.156 5.198 6.487 1.00 52.44 H new ATOM 1532 N THR A 97 -1.280 1.782 3.297 1.00 12.42 N ATOM 1533 CA THR A 97 -1.639 0.638 2.449 1.00 43.22 C ATOM 1534 C THR A 97 -1.316 -0.673 3.184 1.00 12.13 C ATOM 1535 O THR A 97 -0.307 -0.759 3.880 1.00 61.34 O ATOM 1536 CB THR A 97 -0.869 0.720 1.095 1.00 0.04 C ATOM 1537 OG1 THR A 97 -1.106 2.000 0.497 1.00 43.41 O ATOM 1538 CG2 THR A 97 -1.280 -0.387 0.108 1.00 74.50 C ATOM 0 H THR A 97 -0.279 1.854 3.476 1.00 12.42 H new ATOM 0 HA THR A 97 -2.708 0.662 2.238 1.00 43.22 H new ATOM 0 HB THR A 97 0.190 0.581 1.313 1.00 0.04 H new ATOM 0 HG1 THR A 97 -0.342 2.589 0.671 1.00 43.41 H new ATOM 0 HG21 THR A 97 -0.712 -0.280 -0.816 1.00 74.50 H new ATOM 0 HG22 THR A 97 -1.075 -1.362 0.549 1.00 74.50 H new ATOM 0 HG23 THR A 97 -2.345 -0.304 -0.109 1.00 74.50 H new ATOM 1546 N GLU A 98 -2.194 -1.675 3.056 1.00 33.12 N ATOM 1547 CA GLU A 98 -1.990 -2.999 3.661 1.00 32.42 C ATOM 1548 C GLU A 98 -2.333 -4.084 2.634 1.00 2.40 C ATOM 1549 O GLU A 98 -3.429 -4.094 2.076 1.00 42.31 O ATOM 1550 CB GLU A 98 -2.839 -3.099 4.957 1.00 51.22 C ATOM 1551 CG GLU A 98 -2.723 -4.416 5.766 1.00 11.24 C ATOM 1552 CD GLU A 98 -3.841 -5.430 5.472 1.00 20.15 C ATOM 1553 OE1 GLU A 98 -4.925 -5.319 6.082 1.00 23.22 O ATOM 1554 OE2 GLU A 98 -3.646 -6.340 4.640 1.00 71.31 O ATOM 0 H GLU A 98 -3.065 -1.592 2.531 1.00 33.12 H new ATOM 0 HA GLU A 98 -0.948 -3.146 3.944 1.00 32.42 H new ATOM 0 HB2 GLU A 98 -2.560 -2.273 5.611 1.00 51.22 H new ATOM 0 HB3 GLU A 98 -3.886 -2.955 4.690 1.00 51.22 H new ATOM 0 HG2 GLU A 98 -1.760 -4.879 5.551 1.00 11.24 H new ATOM 0 HG3 GLU A 98 -2.732 -4.179 6.830 1.00 11.24 H new ATOM 1561 N LEU A 99 -1.370 -4.971 2.376 1.00 31.21 N ATOM 1562 CA LEU A 99 -1.486 -6.048 1.387 1.00 45.53 C ATOM 1563 C LEU A 99 -1.683 -7.390 2.112 1.00 12.55 C ATOM 1564 O LEU A 99 -0.974 -7.673 3.079 1.00 73.01 O ATOM 1565 CB LEU A 99 -0.194 -6.100 0.526 1.00 63.42 C ATOM 1566 CG LEU A 99 0.296 -4.752 -0.089 1.00 44.41 C ATOM 1567 CD1 LEU A 99 1.613 -4.943 -0.863 1.00 23.53 C ATOM 1568 CD2 LEU A 99 -0.780 -4.109 -0.976 1.00 13.35 C ATOM 0 H LEU A 99 -0.470 -4.962 2.857 1.00 31.21 H new ATOM 0 HA LEU A 99 -2.343 -5.860 0.740 1.00 45.53 H new ATOM 0 HB2 LEU A 99 0.609 -6.504 1.142 1.00 63.42 H new ATOM 0 HB3 LEU A 99 -0.357 -6.806 -0.288 1.00 63.42 H new ATOM 0 HG LEU A 99 0.488 -4.067 0.737 1.00 44.41 H new ATOM 0 HD11 LEU A 99 1.931 -3.988 -1.281 1.00 23.53 H new ATOM 0 HD12 LEU A 99 2.381 -5.317 -0.187 1.00 23.53 H new ATOM 0 HD13 LEU A 99 1.460 -5.659 -1.670 1.00 23.53 H new ATOM 0 HD21 LEU A 99 -0.402 -3.173 -1.386 1.00 13.35 H new ATOM 0 HD22 LEU A 99 -1.032 -4.787 -1.792 1.00 13.35 H new ATOM 0 HD23 LEU A 99 -1.671 -3.911 -0.381 1.00 13.35 H new ATOM 1580 N LEU A 100 -2.635 -8.200 1.648 1.00 20.22 N ATOM 1581 CA LEU A 100 -2.916 -9.531 2.208 1.00 33.44 C ATOM 1582 C LEU A 100 -3.068 -10.548 1.077 1.00 3.41 C ATOM 1583 O LEU A 100 -4.010 -10.455 0.310 1.00 15.23 O ATOM 1584 CB LEU A 100 -4.218 -9.488 3.062 1.00 61.24 C ATOM 1585 CG LEU A 100 -4.743 -10.867 3.597 1.00 73.24 C ATOM 1586 CD1 LEU A 100 -3.705 -11.558 4.501 1.00 54.21 C ATOM 1587 CD2 LEU A 100 -6.102 -10.706 4.307 1.00 70.11 C ATOM 0 H LEU A 100 -3.241 -7.952 0.866 1.00 20.22 H new ATOM 0 HA LEU A 100 -2.085 -9.829 2.847 1.00 33.44 H new ATOM 0 HB2 LEU A 100 -4.046 -8.833 3.916 1.00 61.24 H new ATOM 0 HB3 LEU A 100 -5.006 -9.031 2.463 1.00 61.24 H new ATOM 0 HG LEU A 100 -4.898 -11.518 2.736 1.00 73.24 H new ATOM 0 HD11 LEU A 100 -4.104 -12.510 4.852 1.00 54.21 H new ATOM 0 HD12 LEU A 100 -2.790 -11.735 3.935 1.00 54.21 H new ATOM 0 HD13 LEU A 100 -3.485 -10.919 5.356 1.00 54.21 H new ATOM 0 HD21 LEU A 100 -6.442 -11.677 4.667 1.00 70.11 H new ATOM 0 HD22 LEU A 100 -5.993 -10.024 5.150 1.00 70.11 H new ATOM 0 HD23 LEU A 100 -6.833 -10.303 3.606 1.00 70.11 H new ATOM 1599 N LEU A 101 -2.152 -11.521 0.976 1.00 70.43 N ATOM 1600 CA LEU A 101 -2.268 -12.621 0.004 1.00 20.24 C ATOM 1601 C LEU A 101 -2.795 -13.863 0.728 1.00 3.31 C ATOM 1602 O LEU A 101 -2.302 -14.211 1.813 1.00 23.20 O ATOM 1603 CB LEU A 101 -0.910 -12.949 -0.665 1.00 53.31 C ATOM 1604 CG LEU A 101 -0.927 -14.128 -1.704 1.00 11.41 C ATOM 1605 CD1 LEU A 101 -1.746 -13.766 -2.959 1.00 71.43 C ATOM 1606 CD2 LEU A 101 0.496 -14.578 -2.066 1.00 24.32 C ATOM 0 H LEU A 101 -1.317 -11.570 1.559 1.00 70.43 H new ATOM 0 HA LEU A 101 -2.955 -12.311 -0.784 1.00 20.24 H new ATOM 0 HB2 LEU A 101 -0.548 -12.052 -1.167 1.00 53.31 H new ATOM 0 HB3 LEU A 101 -0.190 -13.189 0.117 1.00 53.31 H new ATOM 0 HG LEU A 101 -1.424 -14.974 -1.229 1.00 11.41 H new ATOM 0 HD11 LEU A 101 -1.735 -14.605 -3.655 1.00 71.43 H new ATOM 0 HD12 LEU A 101 -2.774 -13.546 -2.672 1.00 71.43 H new ATOM 0 HD13 LEU A 101 -1.308 -12.891 -3.439 1.00 71.43 H new ATOM 0 HD21 LEU A 101 0.447 -15.395 -2.786 1.00 24.32 H new ATOM 0 HD22 LEU A 101 1.042 -13.742 -2.502 1.00 24.32 H new ATOM 0 HD23 LEU A 101 1.010 -14.918 -1.167 1.00 24.32 H new ATOM 1618 N GLU A 102 -3.785 -14.528 0.121 1.00 13.34 N ATOM 1619 CA GLU A 102 -4.371 -15.759 0.658 1.00 23.54 C ATOM 1620 C GLU A 102 -3.499 -16.997 0.317 1.00 51.55 C ATOM 1621 O GLU A 102 -2.885 -17.056 -0.762 1.00 23.33 O ATOM 1622 CB GLU A 102 -5.819 -15.913 0.127 1.00 63.10 C ATOM 1623 CG GLU A 102 -6.830 -14.944 0.767 1.00 40.21 C ATOM 1624 CD GLU A 102 -6.984 -15.178 2.281 1.00 52.44 C ATOM 1625 OE1 GLU A 102 -7.642 -16.175 2.672 1.00 61.33 O ATOM 1626 OE2 GLU A 102 -6.449 -14.385 3.088 1.00 71.44 O ATOM 0 H GLU A 102 -4.203 -14.226 -0.759 1.00 13.34 H new ATOM 0 HA GLU A 102 -4.403 -15.692 1.745 1.00 23.54 H new ATOM 0 HB2 GLU A 102 -5.817 -15.759 -0.952 1.00 63.10 H new ATOM 0 HB3 GLU A 102 -6.152 -16.936 0.302 1.00 63.10 H new ATOM 0 HG2 GLU A 102 -6.508 -13.918 0.591 1.00 40.21 H new ATOM 0 HG3 GLU A 102 -7.799 -15.061 0.283 1.00 40.21 H new ATOM 1633 N PRO A 103 -3.411 -18.001 1.253 1.00 24.21 N ATOM 1634 CA PRO A 103 -2.639 -19.246 1.029 1.00 31.00 C ATOM 1635 C PRO A 103 -3.282 -20.150 -0.045 1.00 74.04 C ATOM 1636 O PRO A 103 -2.628 -20.528 -1.031 1.00 1.22 O ATOM 1637 CB PRO A 103 -2.628 -19.935 2.430 1.00 32.52 C ATOM 1638 CG PRO A 103 -3.105 -18.885 3.396 1.00 54.23 C ATOM 1639 CD PRO A 103 -4.028 -17.995 2.606 1.00 14.33 C ATOM 0 HA PRO A 103 -1.637 -19.045 0.649 1.00 31.00 H new ATOM 0 HB2 PRO A 103 -3.281 -20.807 2.444 1.00 32.52 H new ATOM 0 HB3 PRO A 103 -1.628 -20.282 2.689 1.00 32.52 H new ATOM 0 HG2 PRO A 103 -3.625 -19.337 4.241 1.00 54.23 H new ATOM 0 HG3 PRO A 103 -2.268 -18.318 3.803 1.00 54.23 H new ATOM 0 HD2 PRO A 103 -5.047 -18.383 2.588 1.00 14.33 H new ATOM 0 HD3 PRO A 103 -4.077 -16.990 3.024 1.00 14.33 H new ATOM 1647 N GLY A 104 -4.569 -20.473 0.159 1.00 61.14 N ATOM 1648 CA GLY A 104 -5.307 -21.371 -0.730 1.00 1.32 C ATOM 1649 C GLY A 104 -5.862 -20.658 -1.951 1.00 12.11 C ATOM 1650 O GLY A 104 -5.794 -21.184 -3.068 1.00 33.34 O ATOM 0 H GLY A 104 -5.120 -20.119 0.941 1.00 61.14 H new ATOM 0 HA2 GLY A 104 -4.649 -22.178 -1.053 1.00 1.32 H new ATOM 0 HA3 GLY A 104 -6.127 -21.830 -0.178 1.00 1.32 H new ATOM 1654 N ASN A 105 -6.408 -19.452 -1.733 1.00 32.40 N ATOM 1655 CA ASN A 105 -6.995 -18.621 -2.798 1.00 14.41 C ATOM 1656 C ASN A 105 -5.928 -17.684 -3.389 1.00 25.41 C ATOM 1657 O ASN A 105 -5.097 -17.142 -2.665 1.00 71.52 O ATOM 1658 CB ASN A 105 -8.198 -17.804 -2.246 1.00 14.41 C ATOM 1659 CG ASN A 105 -9.405 -18.668 -1.841 1.00 41.24 C ATOM 1660 OD1 ASN A 105 -9.262 -19.802 -1.372 1.00 42.42 O ATOM 1661 ND2 ASN A 105 -10.608 -18.147 -2.032 1.00 54.42 N ATOM 0 H ASN A 105 -6.456 -19.023 -0.809 1.00 32.40 H new ATOM 0 HA ASN A 105 -7.360 -19.273 -3.591 1.00 14.41 H new ATOM 0 HB2 ASN A 105 -7.868 -17.230 -1.380 1.00 14.41 H new ATOM 0 HB3 ASN A 105 -8.515 -17.086 -3.003 1.00 14.41 H new ATOM 0 HD21 ASN A 105 -11.441 -18.684 -1.790 1.00 54.42 H new ATOM 0 HD22 ASN A 105 -10.702 -17.209 -2.421 1.00 54.42 H new ATOM 1668 N SER A 106 -5.971 -17.486 -4.712 1.00 44.41 N ATOM 1669 CA SER A 106 -4.975 -16.689 -5.462 1.00 31.43 C ATOM 1670 C SER A 106 -5.393 -15.207 -5.526 1.00 15.30 C ATOM 1671 O SER A 106 -5.262 -14.541 -6.558 1.00 3.33 O ATOM 1672 CB SER A 106 -4.835 -17.303 -6.872 1.00 34.41 C ATOM 1673 OG SER A 106 -6.096 -17.407 -7.524 1.00 43.14 O ATOM 0 H SER A 106 -6.704 -17.876 -5.304 1.00 44.41 H new ATOM 0 HA SER A 106 -4.010 -16.718 -4.956 1.00 31.43 H new ATOM 0 HB2 SER A 106 -4.164 -16.689 -7.472 1.00 34.41 H new ATOM 0 HB3 SER A 106 -4.381 -18.291 -6.796 1.00 34.41 H new ATOM 0 HG SER A 106 -6.747 -16.832 -7.071 1.00 43.14 H new ATOM 1679 N GLU A 107 -5.839 -14.686 -4.384 1.00 1.43 N ATOM 1680 CA GLU A 107 -6.412 -13.342 -4.268 1.00 5.21 C ATOM 1681 C GLU A 107 -5.582 -12.537 -3.272 1.00 73.25 C ATOM 1682 O GLU A 107 -5.088 -13.077 -2.277 1.00 61.14 O ATOM 1683 CB GLU A 107 -7.911 -13.378 -3.821 1.00 1.13 C ATOM 1684 CG GLU A 107 -8.936 -13.697 -4.942 1.00 34.33 C ATOM 1685 CD GLU A 107 -8.941 -15.158 -5.432 1.00 23.45 C ATOM 1686 OE1 GLU A 107 -9.517 -16.017 -4.740 1.00 41.10 O ATOM 1687 OE2 GLU A 107 -8.406 -15.451 -6.524 1.00 35.11 O ATOM 0 H GLU A 107 -5.813 -15.192 -3.499 1.00 1.43 H new ATOM 0 HA GLU A 107 -6.385 -12.870 -5.250 1.00 5.21 H new ATOM 0 HB2 GLU A 107 -8.019 -14.122 -3.032 1.00 1.13 H new ATOM 0 HB3 GLU A 107 -8.165 -12.412 -3.385 1.00 1.13 H new ATOM 0 HG2 GLU A 107 -9.934 -13.449 -4.581 1.00 34.33 H new ATOM 0 HG3 GLU A 107 -8.734 -13.046 -5.793 1.00 34.33 H new ATOM 1694 N MET A 108 -5.434 -11.244 -3.559 1.00 13.24 N ATOM 1695 CA MET A 108 -4.755 -10.292 -2.684 1.00 1.44 C ATOM 1696 C MET A 108 -5.704 -9.131 -2.392 1.00 21.23 C ATOM 1697 O MET A 108 -6.300 -8.579 -3.307 1.00 15.44 O ATOM 1698 CB MET A 108 -3.429 -9.783 -3.317 1.00 21.10 C ATOM 1699 CG MET A 108 -2.684 -8.725 -2.473 1.00 2.04 C ATOM 1700 SD MET A 108 -1.036 -8.344 -3.104 1.00 24.42 S ATOM 1701 CE MET A 108 -0.189 -9.905 -2.853 1.00 71.33 C ATOM 0 H MET A 108 -5.788 -10.824 -4.418 1.00 13.24 H new ATOM 0 HA MET A 108 -4.488 -10.790 -1.752 1.00 1.44 H new ATOM 0 HB2 MET A 108 -2.767 -10.634 -3.477 1.00 21.10 H new ATOM 0 HB3 MET A 108 -3.648 -9.360 -4.297 1.00 21.10 H new ATOM 0 HG2 MET A 108 -3.276 -7.810 -2.444 1.00 2.04 H new ATOM 0 HG3 MET A 108 -2.599 -9.082 -1.447 1.00 2.04 H new ATOM 0 HE1 MET A 108 0.846 -9.814 -3.181 1.00 71.33 H new ATOM 0 HE2 MET A 108 -0.213 -10.166 -1.795 1.00 71.33 H new ATOM 0 HE3 MET A 108 -0.685 -10.685 -3.430 1.00 71.33 H new ATOM 1711 N GLN A 109 -5.828 -8.765 -1.117 1.00 52.13 N ATOM 1712 CA GLN A 109 -6.655 -7.655 -0.662 1.00 22.33 C ATOM 1713 C GLN A 109 -5.726 -6.477 -0.401 1.00 21.24 C ATOM 1714 O GLN A 109 -4.649 -6.655 0.177 1.00 31.25 O ATOM 1715 CB GLN A 109 -7.424 -8.036 0.627 1.00 11.43 C ATOM 1716 CG GLN A 109 -8.488 -9.126 0.425 1.00 25.54 C ATOM 1717 CD GLN A 109 -9.210 -9.495 1.719 1.00 53.10 C ATOM 1718 OE1 GLN A 109 -8.813 -10.422 2.422 1.00 73.13 O ATOM 1719 NE2 GLN A 109 -10.251 -8.753 2.073 1.00 34.50 N ATOM 0 H GLN A 109 -5.345 -9.244 -0.357 1.00 52.13 H new ATOM 0 HA GLN A 109 -7.399 -7.399 -1.417 1.00 22.33 H new ATOM 0 HB2 GLN A 109 -6.709 -8.376 1.376 1.00 11.43 H new ATOM 0 HB3 GLN A 109 -7.905 -7.144 1.027 1.00 11.43 H new ATOM 0 HG2 GLN A 109 -9.218 -8.783 -0.308 1.00 25.54 H new ATOM 0 HG3 GLN A 109 -8.015 -10.017 0.011 1.00 25.54 H new ATOM 0 HE21 GLN A 109 -10.561 -7.989 1.472 1.00 34.50 H new ATOM 0 HE22 GLN A 109 -10.742 -8.946 2.946 1.00 34.50 H new ATOM 1728 N ILE A 110 -6.126 -5.292 -0.845 1.00 34.03 N ATOM 1729 CA ILE A 110 -5.371 -4.054 -0.620 1.00 50.22 C ATOM 1730 C ILE A 110 -6.283 -3.073 0.124 1.00 24.23 C ATOM 1731 O ILE A 110 -7.347 -2.734 -0.374 1.00 35.35 O ATOM 1732 CB ILE A 110 -4.837 -3.359 -1.938 1.00 13.42 C ATOM 1733 CG1 ILE A 110 -3.903 -4.295 -2.798 1.00 61.21 C ATOM 1734 CG2 ILE A 110 -4.089 -2.048 -1.558 1.00 40.42 C ATOM 1735 CD1 ILE A 110 -4.605 -5.335 -3.669 1.00 25.34 C ATOM 0 H ILE A 110 -6.987 -5.156 -1.375 1.00 34.03 H new ATOM 0 HA ILE A 110 -4.485 -4.324 -0.046 1.00 50.22 H new ATOM 0 HB ILE A 110 -5.702 -3.135 -2.563 1.00 13.42 H new ATOM 0 HG12 ILE A 110 -3.289 -3.666 -3.443 1.00 61.21 H new ATOM 0 HG13 ILE A 110 -3.225 -4.816 -2.122 1.00 61.21 H new ATOM 0 HG21 ILE A 110 -3.719 -1.565 -2.462 1.00 40.42 H new ATOM 0 HG22 ILE A 110 -4.774 -1.375 -1.041 1.00 40.42 H new ATOM 0 HG23 ILE A 110 -3.250 -2.284 -0.904 1.00 40.42 H new ATOM 0 HD11 ILE A 110 -3.860 -5.917 -4.212 1.00 25.34 H new ATOM 0 HD12 ILE A 110 -5.196 -5.999 -3.038 1.00 25.34 H new ATOM 0 HD13 ILE A 110 -5.261 -4.832 -4.380 1.00 25.34 H new ATOM 1747 N SER A 111 -5.841 -2.618 1.298 1.00 20.34 N ATOM 1748 CA SER A 111 -6.597 -1.686 2.139 1.00 42.50 C ATOM 1749 C SER A 111 -5.887 -0.335 2.128 1.00 5.23 C ATOM 1750 O SER A 111 -4.798 -0.195 2.685 1.00 22.44 O ATOM 1751 CB SER A 111 -6.724 -2.252 3.567 1.00 14.10 C ATOM 1752 OG SER A 111 -7.380 -3.496 3.539 1.00 12.20 O ATOM 0 H SER A 111 -4.941 -2.888 1.696 1.00 20.34 H new ATOM 0 HA SER A 111 -7.607 -1.553 1.751 1.00 42.50 H new ATOM 0 HB2 SER A 111 -5.735 -2.364 4.011 1.00 14.10 H new ATOM 0 HB3 SER A 111 -7.278 -1.554 4.195 1.00 14.10 H new ATOM 0 HG SER A 111 -7.454 -3.847 4.451 1.00 12.20 H new ATOM 1758 N VAL A 112 -6.502 0.638 1.446 1.00 5.41 N ATOM 1759 CA VAL A 112 -5.993 2.007 1.346 1.00 4.24 C ATOM 1760 C VAL A 112 -6.767 2.874 2.350 1.00 31.32 C ATOM 1761 O VAL A 112 -7.998 2.947 2.310 1.00 2.22 O ATOM 1762 CB VAL A 112 -6.152 2.597 -0.105 1.00 62.51 C ATOM 1763 CG1 VAL A 112 -5.519 4.009 -0.200 1.00 31.40 C ATOM 1764 CG2 VAL A 112 -5.549 1.643 -1.167 1.00 14.21 C ATOM 0 H VAL A 112 -7.377 0.493 0.943 1.00 5.41 H new ATOM 0 HA VAL A 112 -4.926 2.002 1.570 1.00 4.24 H new ATOM 0 HB VAL A 112 -7.218 2.691 -0.313 1.00 62.51 H new ATOM 0 HG11 VAL A 112 -5.642 4.395 -1.212 1.00 31.40 H new ATOM 0 HG12 VAL A 112 -6.012 4.677 0.506 1.00 31.40 H new ATOM 0 HG13 VAL A 112 -4.457 3.949 0.039 1.00 31.40 H new ATOM 0 HG21 VAL A 112 -5.674 2.077 -2.159 1.00 14.21 H new ATOM 0 HG22 VAL A 112 -4.488 1.498 -0.965 1.00 14.21 H new ATOM 0 HG23 VAL A 112 -6.061 0.682 -1.125 1.00 14.21 H new ATOM 1774 N LYS A 113 -6.022 3.494 3.261 1.00 34.14 N ATOM 1775 CA LYS A 113 -6.554 4.287 4.358 1.00 60.32 C ATOM 1776 C LYS A 113 -5.709 5.554 4.474 1.00 62.41 C ATOM 1777 O LYS A 113 -4.587 5.507 4.965 1.00 34.32 O ATOM 1778 CB LYS A 113 -6.442 3.418 5.646 1.00 55.22 C ATOM 1779 CG LYS A 113 -6.749 4.115 6.976 1.00 3.33 C ATOM 1780 CD LYS A 113 -6.470 3.188 8.188 1.00 43.25 C ATOM 1781 CE LYS A 113 -7.314 1.910 8.179 1.00 54.44 C ATOM 1782 NZ LYS A 113 -7.159 1.121 9.429 1.00 64.43 N ATOM 0 H LYS A 113 -5.003 3.456 3.253 1.00 34.14 H new ATOM 0 HA LYS A 113 -7.594 4.574 4.202 1.00 60.32 H new ATOM 0 HB2 LYS A 113 -7.117 2.569 5.543 1.00 55.22 H new ATOM 0 HB3 LYS A 113 -5.430 3.016 5.698 1.00 55.22 H new ATOM 0 HG2 LYS A 113 -6.144 5.018 7.062 1.00 3.33 H new ATOM 0 HG3 LYS A 113 -7.793 4.428 6.990 1.00 3.33 H new ATOM 0 HD2 LYS A 113 -5.414 2.918 8.195 1.00 43.25 H new ATOM 0 HD3 LYS A 113 -6.664 3.737 9.109 1.00 43.25 H new ATOM 0 HE2 LYS A 113 -8.364 2.172 8.045 1.00 54.44 H new ATOM 0 HE3 LYS A 113 -7.028 1.295 7.326 1.00 54.44 H new ATOM 0 HZ1 LYS A 113 -8.039 0.601 9.623 1.00 64.43 H new ATOM 0 HZ2 LYS A 113 -6.375 0.446 9.319 1.00 64.43 H new ATOM 0 HZ3 LYS A 113 -6.954 1.763 10.221 1.00 64.43 H new ATOM 1796 N GLN A 114 -6.236 6.681 4.014 1.00 1.44 N ATOM 1797 CA GLN A 114 -5.542 7.975 4.127 1.00 23.24 C ATOM 1798 C GLN A 114 -6.142 8.809 5.256 1.00 12.14 C ATOM 1799 O GLN A 114 -7.302 8.613 5.620 1.00 3.13 O ATOM 1800 CB GLN A 114 -5.570 8.750 2.775 1.00 30.22 C ATOM 1801 CG GLN A 114 -6.974 9.060 2.216 1.00 53.52 C ATOM 1802 CD GLN A 114 -7.585 7.973 1.332 1.00 31.02 C ATOM 1803 OE1 GLN A 114 -7.257 6.789 1.430 1.00 73.53 O ATOM 1804 NE2 GLN A 114 -8.527 8.366 0.494 1.00 42.53 N ATOM 0 H GLN A 114 -7.146 6.734 3.556 1.00 1.44 H new ATOM 0 HA GLN A 114 -4.497 7.780 4.369 1.00 23.24 H new ATOM 0 HB2 GLN A 114 -5.034 9.690 2.904 1.00 30.22 H new ATOM 0 HB3 GLN A 114 -5.022 8.170 2.032 1.00 30.22 H new ATOM 0 HG2 GLN A 114 -7.647 9.244 3.054 1.00 53.52 H new ATOM 0 HG3 GLN A 114 -6.921 9.984 1.641 1.00 53.52 H new ATOM 0 HE21 GLN A 114 -8.777 9.353 0.435 1.00 42.53 H new ATOM 0 HE22 GLN A 114 -9.004 7.683 -0.094 1.00 42.53 H new ATOM 1813 N ASN A 115 -5.338 9.751 5.784 1.00 3.45 N ATOM 1814 CA ASN A 115 -5.720 10.583 6.938 1.00 30.41 C ATOM 1815 C ASN A 115 -6.631 11.736 6.477 1.00 42.30 C ATOM 1816 O ASN A 115 -7.566 12.112 7.183 1.00 10.14 O ATOM 1817 CB ASN A 115 -4.449 11.091 7.688 1.00 20.41 C ATOM 1818 CG ASN A 115 -3.576 12.072 6.907 1.00 64.04 C ATOM 1819 OD1 ASN A 115 -3.611 12.139 5.678 1.00 22.45 O ATOM 1820 ND2 ASN A 115 -2.743 12.810 7.614 1.00 31.40 N ATOM 0 H ASN A 115 -4.407 9.956 5.422 1.00 3.45 H new ATOM 0 HA ASN A 115 -6.289 9.982 7.648 1.00 30.41 H new ATOM 0 HB2 ASN A 115 -4.762 11.569 8.616 1.00 20.41 H new ATOM 0 HB3 ASN A 115 -3.841 10.229 7.963 1.00 20.41 H new ATOM 0 HD21 ASN A 115 -2.108 13.455 7.144 1.00 31.40 H new ATOM 0 HD22 ASN A 115 -2.734 12.736 8.631 1.00 31.40 H new ATOM 1827 N GLU A 116 -6.350 12.269 5.264 1.00 32.20 N ATOM 1828 CA GLU A 116 -7.219 13.235 4.567 1.00 54.22 C ATOM 1829 C GLU A 116 -7.734 12.551 3.298 1.00 11.44 C ATOM 1830 O GLU A 116 -6.955 12.358 2.346 1.00 15.34 O ATOM 1831 CB GLU A 116 -6.422 14.519 4.171 1.00 42.24 C ATOM 1832 CG GLU A 116 -5.746 15.254 5.339 1.00 1.41 C ATOM 1833 CD GLU A 116 -4.927 16.471 4.875 1.00 70.32 C ATOM 1834 OE1 GLU A 116 -3.782 16.281 4.395 1.00 23.34 O ATOM 1835 OE2 GLU A 116 -5.417 17.616 4.974 1.00 51.31 O ATOM 0 H GLU A 116 -5.506 12.036 4.741 1.00 32.20 H new ATOM 0 HA GLU A 116 -8.038 13.535 5.221 1.00 54.22 H new ATOM 0 HB2 GLU A 116 -5.658 14.243 3.445 1.00 42.24 H new ATOM 0 HB3 GLU A 116 -7.102 15.210 3.672 1.00 42.24 H new ATOM 0 HG2 GLU A 116 -6.507 15.581 6.047 1.00 1.41 H new ATOM 0 HG3 GLU A 116 -5.093 14.562 5.870 1.00 1.41 H new ATOM 1842 N ALA A 117 -9.016 12.149 3.278 1.00 60.02 N ATOM 1843 CA ALA A 117 -9.599 11.512 2.094 1.00 63.31 C ATOM 1844 C ALA A 117 -10.090 12.586 1.119 1.00 31.12 C ATOM 1845 O ALA A 117 -11.051 13.313 1.397 1.00 32.42 O ATOM 1846 CB ALA A 117 -10.737 10.560 2.508 1.00 1.54 C ATOM 0 H ALA A 117 -9.660 12.254 4.062 1.00 60.02 H new ATOM 0 HA ALA A 117 -8.839 10.917 1.588 1.00 63.31 H new ATOM 0 HB1 ALA A 117 -11.162 10.093 1.620 1.00 1.54 H new ATOM 0 HB2 ALA A 117 -10.343 9.789 3.170 1.00 1.54 H new ATOM 0 HB3 ALA A 117 -11.512 11.124 3.028 1.00 1.54 H new ATOM 1852 N ARG A 118 -9.388 12.684 -0.015 1.00 75.33 N ATOM 1853 CA ARG A 118 -9.788 13.497 -1.164 1.00 21.43 C ATOM 1854 C ARG A 118 -10.097 12.523 -2.304 1.00 55.33 C ATOM 1855 O ARG A 118 -9.338 11.564 -2.492 1.00 40.41 O ATOM 1856 CB ARG A 118 -8.633 14.468 -1.505 1.00 15.23 C ATOM 1857 CG ARG A 118 -8.962 15.608 -2.488 1.00 64.00 C ATOM 1858 CD ARG A 118 -7.775 16.583 -2.626 1.00 4.03 C ATOM 1859 NE ARG A 118 -7.314 17.053 -1.302 1.00 24.12 N ATOM 1860 CZ ARG A 118 -6.030 17.136 -0.888 1.00 72.34 C ATOM 1861 NH1 ARG A 118 -5.011 16.800 -1.681 1.00 42.42 N ATOM 1862 NH2 ARG A 118 -5.783 17.537 0.342 1.00 4.10 N ATOM 0 H ARG A 118 -8.508 12.189 -0.161 1.00 75.33 H new ATOM 0 HA ARG A 118 -10.671 14.106 -0.970 1.00 21.43 H new ATOM 0 HB2 ARG A 118 -8.274 14.911 -0.576 1.00 15.23 H new ATOM 0 HB3 ARG A 118 -7.810 13.887 -1.920 1.00 15.23 H new ATOM 0 HG2 ARG A 118 -9.209 15.191 -3.464 1.00 64.00 H new ATOM 0 HG3 ARG A 118 -9.842 16.149 -2.141 1.00 64.00 H new ATOM 0 HD2 ARG A 118 -6.954 16.090 -3.146 1.00 4.03 H new ATOM 0 HD3 ARG A 118 -8.071 17.437 -3.235 1.00 4.03 H new ATOM 0 HE ARG A 118 -8.033 17.342 -0.638 1.00 24.12 H new ATOM 0 HH11 ARG A 118 -5.190 16.469 -2.629 1.00 42.42 H new ATOM 0 HH12 ARG A 118 -4.053 16.874 -1.339 1.00 42.42 H new ATOM 0 HH21 ARG A 118 -6.554 17.779 0.964 1.00 4.10 H new ATOM 0 HH22 ARG A 118 -4.820 17.606 0.672 1.00 4.10 H new ATOM 1876 N THR A 119 -11.203 12.741 -3.032 1.00 11.31 N ATOM 1877 CA THR A 119 -11.674 11.806 -4.074 1.00 2.21 C ATOM 1878 C THR A 119 -10.549 11.471 -5.081 1.00 45.22 C ATOM 1879 O THR A 119 -10.242 10.297 -5.307 1.00 23.11 O ATOM 1880 CB THR A 119 -12.914 12.395 -4.822 1.00 32.43 C ATOM 1881 OG1 THR A 119 -13.947 12.700 -3.870 1.00 54.12 O ATOM 1882 CG2 THR A 119 -13.477 11.436 -5.891 1.00 42.41 C ATOM 0 H THR A 119 -11.795 13.564 -2.919 1.00 11.31 H new ATOM 0 HA THR A 119 -11.969 10.881 -3.579 1.00 2.21 H new ATOM 0 HB THR A 119 -12.581 13.297 -5.336 1.00 32.43 H new ATOM 0 HG1 THR A 119 -14.724 13.071 -4.338 1.00 54.12 H new ATOM 0 HG21 THR A 119 -14.336 11.898 -6.378 1.00 42.41 H new ATOM 0 HG22 THR A 119 -12.708 11.228 -6.634 1.00 42.41 H new ATOM 0 HG23 THR A 119 -13.786 10.504 -5.417 1.00 42.41 H new ATOM 1890 N GLU A 120 -9.888 12.521 -5.592 1.00 14.34 N ATOM 1891 CA GLU A 120 -8.842 12.392 -6.611 1.00 32.14 C ATOM 1892 C GLU A 120 -7.567 11.737 -6.050 1.00 53.31 C ATOM 1893 O GLU A 120 -6.978 10.894 -6.730 1.00 3.32 O ATOM 1894 CB GLU A 120 -8.526 13.785 -7.208 1.00 65.45 C ATOM 1895 CG GLU A 120 -7.417 13.806 -8.284 1.00 45.55 C ATOM 1896 CD GLU A 120 -7.169 15.205 -8.866 1.00 42.23 C ATOM 1897 OE1 GLU A 120 -6.441 16.000 -8.239 1.00 4.23 O ATOM 1898 OE2 GLU A 120 -7.710 15.526 -9.936 1.00 54.31 O ATOM 0 H GLU A 120 -10.066 13.484 -5.308 1.00 14.34 H new ATOM 0 HA GLU A 120 -9.214 11.736 -7.398 1.00 32.14 H new ATOM 0 HB2 GLU A 120 -9.439 14.191 -7.643 1.00 65.45 H new ATOM 0 HB3 GLU A 120 -8.235 14.452 -6.397 1.00 65.45 H new ATOM 0 HG2 GLU A 120 -6.491 13.430 -7.850 1.00 45.55 H new ATOM 0 HG3 GLU A 120 -7.689 13.126 -9.091 1.00 45.55 H new ATOM 1905 N THR A 121 -7.146 12.116 -4.813 1.00 4.13 N ATOM 1906 CA THR A 121 -5.921 11.554 -4.197 1.00 11.31 C ATOM 1907 C THR A 121 -6.041 10.032 -4.055 1.00 73.41 C ATOM 1908 O THR A 121 -5.102 9.296 -4.372 1.00 1.14 O ATOM 1909 CB THR A 121 -5.609 12.182 -2.794 1.00 20.43 C ATOM 1910 OG1 THR A 121 -6.692 11.958 -1.871 1.00 54.33 O ATOM 1911 CG2 THR A 121 -5.323 13.685 -2.891 1.00 3.44 C ATOM 0 H THR A 121 -7.632 12.799 -4.232 1.00 4.13 H new ATOM 0 HA THR A 121 -5.096 11.803 -4.865 1.00 11.31 H new ATOM 0 HB THR A 121 -4.713 11.684 -2.422 1.00 20.43 H new ATOM 0 HG1 THR A 121 -7.532 11.867 -2.368 1.00 54.33 H new ATOM 0 HG21 THR A 121 -5.112 14.080 -1.897 1.00 3.44 H new ATOM 0 HG22 THR A 121 -4.461 13.850 -3.538 1.00 3.44 H new ATOM 0 HG23 THR A 121 -6.192 14.195 -3.307 1.00 3.44 H new ATOM 1919 N LEU A 122 -7.223 9.584 -3.589 1.00 74.13 N ATOM 1920 CA LEU A 122 -7.542 8.163 -3.452 1.00 22.22 C ATOM 1921 C LEU A 122 -7.521 7.451 -4.816 1.00 22.42 C ATOM 1922 O LEU A 122 -6.746 6.512 -4.993 1.00 40.02 O ATOM 1923 CB LEU A 122 -8.918 7.989 -2.768 1.00 31.10 C ATOM 1924 CG LEU A 122 -9.380 6.519 -2.498 1.00 53.14 C ATOM 1925 CD1 LEU A 122 -8.345 5.735 -1.673 1.00 64.44 C ATOM 1926 CD2 LEU A 122 -10.758 6.482 -1.819 1.00 12.31 C ATOM 0 H LEU A 122 -7.979 10.204 -3.299 1.00 74.13 H new ATOM 0 HA LEU A 122 -6.777 7.702 -2.827 1.00 22.22 H new ATOM 0 HB2 LEU A 122 -8.896 8.520 -1.817 1.00 31.10 H new ATOM 0 HB3 LEU A 122 -9.671 8.476 -3.388 1.00 31.10 H new ATOM 0 HG LEU A 122 -9.466 6.030 -3.468 1.00 53.14 H new ATOM 0 HD11 LEU A 122 -8.705 4.719 -1.508 1.00 64.44 H new ATOM 0 HD12 LEU A 122 -7.399 5.701 -2.213 1.00 64.44 H new ATOM 0 HD13 LEU A 122 -8.197 6.228 -0.712 1.00 64.44 H new ATOM 0 HD21 LEU A 122 -11.050 5.446 -1.645 1.00 12.31 H new ATOM 0 HD22 LEU A 122 -10.709 7.010 -0.867 1.00 12.31 H new ATOM 0 HD23 LEU A 122 -11.494 6.963 -2.463 1.00 12.31 H new ATOM 1938 N ASN A 123 -8.320 7.955 -5.788 1.00 31.13 N ATOM 1939 CA ASN A 123 -8.521 7.271 -7.088 1.00 24.04 C ATOM 1940 C ASN A 123 -7.192 7.117 -7.849 1.00 52.40 C ATOM 1941 O ASN A 123 -6.896 6.046 -8.394 1.00 73.41 O ATOM 1942 CB ASN A 123 -9.551 8.023 -7.986 1.00 61.13 C ATOM 1943 CG ASN A 123 -10.945 8.227 -7.377 1.00 45.42 C ATOM 1944 OD1 ASN A 123 -11.668 9.151 -7.757 1.00 12.12 O ATOM 1945 ND2 ASN A 123 -11.334 7.403 -6.423 1.00 33.20 N ATOM 0 H ASN A 123 -8.834 8.831 -5.696 1.00 31.13 H new ATOM 0 HA ASN A 123 -8.918 6.282 -6.861 1.00 24.04 H new ATOM 0 HB2 ASN A 123 -9.139 9.000 -8.239 1.00 61.13 H new ATOM 0 HB3 ASN A 123 -9.660 7.472 -8.920 1.00 61.13 H new ATOM 0 HD21 ASN A 123 -12.247 7.524 -5.986 1.00 33.20 H new ATOM 0 HD22 ASN A 123 -10.721 6.645 -6.123 1.00 33.20 H new ATOM 1952 N SER A 124 -6.388 8.189 -7.831 1.00 3.04 N ATOM 1953 CA SER A 124 -5.093 8.236 -8.517 1.00 11.11 C ATOM 1954 C SER A 124 -4.071 7.301 -7.832 1.00 10.22 C ATOM 1955 O SER A 124 -3.302 6.632 -8.520 1.00 52.24 O ATOM 1956 CB SER A 124 -4.586 9.684 -8.568 1.00 2.43 C ATOM 1957 OG SER A 124 -5.507 10.537 -9.223 1.00 64.01 O ATOM 0 H SER A 124 -6.620 9.051 -7.337 1.00 3.04 H new ATOM 0 HA SER A 124 -5.219 7.879 -9.539 1.00 11.11 H new ATOM 0 HB2 SER A 124 -4.413 10.045 -7.554 1.00 2.43 H new ATOM 0 HB3 SER A 124 -3.628 9.716 -9.086 1.00 2.43 H new ATOM 0 HG SER A 124 -6.174 10.855 -8.579 1.00 64.01 H new ATOM 1963 N PHE A 125 -4.109 7.245 -6.478 1.00 40.11 N ATOM 1964 CA PHE A 125 -3.233 6.363 -5.677 1.00 54.22 C ATOM 1965 C PHE A 125 -3.491 4.877 -6.010 1.00 70.11 C ATOM 1966 O PHE A 125 -2.545 4.096 -6.171 1.00 3.42 O ATOM 1967 CB PHE A 125 -3.449 6.616 -4.156 1.00 25.40 C ATOM 1968 CG PHE A 125 -2.544 5.793 -3.242 1.00 22.31 C ATOM 1969 CD1 PHE A 125 -1.245 6.208 -2.973 1.00 22.22 C ATOM 1970 CD2 PHE A 125 -2.978 4.591 -2.672 1.00 5.51 C ATOM 1971 CE1 PHE A 125 -0.410 5.461 -2.170 1.00 0.20 C ATOM 1972 CE2 PHE A 125 -2.137 3.845 -1.872 1.00 51.14 C ATOM 1973 CZ PHE A 125 -0.853 4.280 -1.622 1.00 73.13 C ATOM 0 H PHE A 125 -4.746 7.809 -5.915 1.00 40.11 H new ATOM 0 HA PHE A 125 -2.199 6.597 -5.930 1.00 54.22 H new ATOM 0 HB2 PHE A 125 -3.287 7.674 -3.950 1.00 25.40 H new ATOM 0 HB3 PHE A 125 -4.488 6.399 -3.908 1.00 25.40 H new ATOM 0 HD1 PHE A 125 -0.884 7.132 -3.400 1.00 22.22 H new ATOM 0 HD2 PHE A 125 -3.983 4.243 -2.860 1.00 5.51 H new ATOM 0 HE1 PHE A 125 0.595 5.804 -1.971 1.00 0.20 H new ATOM 0 HE2 PHE A 125 -2.485 2.918 -1.441 1.00 51.14 H new ATOM 0 HZ PHE A 125 -0.196 3.694 -0.997 1.00 73.13 H new ATOM 1983 N ILE A 126 -4.785 4.513 -6.103 1.00 34.51 N ATOM 1984 CA ILE A 126 -5.225 3.135 -6.400 1.00 1.24 C ATOM 1985 C ILE A 126 -4.834 2.755 -7.840 1.00 1.32 C ATOM 1986 O ILE A 126 -4.471 1.613 -8.102 1.00 73.12 O ATOM 1987 CB ILE A 126 -6.777 2.972 -6.226 1.00 63.12 C ATOM 1988 CG1 ILE A 126 -7.241 3.456 -4.827 1.00 61.24 C ATOM 1989 CG2 ILE A 126 -7.218 1.505 -6.445 1.00 44.41 C ATOM 1990 CD1 ILE A 126 -8.736 3.659 -4.720 1.00 33.14 C ATOM 0 H ILE A 126 -5.557 5.168 -5.974 1.00 34.51 H new ATOM 0 HA ILE A 126 -4.729 2.472 -5.691 1.00 1.24 H new ATOM 0 HB ILE A 126 -7.250 3.594 -6.986 1.00 63.12 H new ATOM 0 HG12 ILE A 126 -6.927 2.729 -4.078 1.00 61.24 H new ATOM 0 HG13 ILE A 126 -6.738 4.394 -4.591 1.00 61.24 H new ATOM 0 HG21 ILE A 126 -8.298 1.427 -6.317 1.00 44.41 H new ATOM 0 HG22 ILE A 126 -6.948 1.191 -7.453 1.00 44.41 H new ATOM 0 HG23 ILE A 126 -6.719 0.863 -5.719 1.00 44.41 H new ATOM 0 HD11 ILE A 126 -8.986 3.997 -3.715 1.00 33.14 H new ATOM 0 HD12 ILE A 126 -9.054 4.408 -5.445 1.00 33.14 H new ATOM 0 HD13 ILE A 126 -9.246 2.718 -4.924 1.00 33.14 H new ATOM 2002 N SER A 127 -4.919 3.742 -8.760 1.00 40.20 N ATOM 2003 CA SER A 127 -4.508 3.566 -10.163 1.00 31.32 C ATOM 2004 C SER A 127 -3.010 3.198 -10.252 1.00 73.24 C ATOM 2005 O SER A 127 -2.638 2.285 -10.996 1.00 22.13 O ATOM 2006 CB SER A 127 -4.817 4.839 -10.982 1.00 62.23 C ATOM 2007 OG SER A 127 -6.204 5.155 -10.952 1.00 44.14 O ATOM 0 H SER A 127 -5.272 4.675 -8.549 1.00 40.20 H new ATOM 0 HA SER A 127 -5.081 2.742 -10.589 1.00 31.32 H new ATOM 0 HB2 SER A 127 -4.243 5.676 -10.585 1.00 62.23 H new ATOM 0 HB3 SER A 127 -4.498 4.695 -12.014 1.00 62.23 H new ATOM 0 HG SER A 127 -6.449 5.466 -10.056 1.00 44.14 H new ATOM 2013 N VAL A 128 -2.170 3.905 -9.454 1.00 31.04 N ATOM 2014 CA VAL A 128 -0.724 3.628 -9.353 1.00 52.34 C ATOM 2015 C VAL A 128 -0.515 2.181 -8.877 1.00 63.54 C ATOM 2016 O VAL A 128 0.122 1.388 -9.566 1.00 42.14 O ATOM 2017 CB VAL A 128 -0.007 4.643 -8.376 1.00 2.34 C ATOM 2018 CG1 VAL A 128 1.496 4.310 -8.199 1.00 13.45 C ATOM 2019 CG2 VAL A 128 -0.196 6.101 -8.861 1.00 51.05 C ATOM 0 H VAL A 128 -2.480 4.679 -8.867 1.00 31.04 H new ATOM 0 HA VAL A 128 -0.276 3.756 -10.339 1.00 52.34 H new ATOM 0 HB VAL A 128 -0.479 4.542 -7.399 1.00 2.34 H new ATOM 0 HG11 VAL A 128 1.951 5.031 -7.520 1.00 13.45 H new ATOM 0 HG12 VAL A 128 1.600 3.307 -7.785 1.00 13.45 H new ATOM 0 HG13 VAL A 128 1.996 4.357 -9.167 1.00 13.45 H new ATOM 0 HG21 VAL A 128 0.306 6.781 -8.173 1.00 51.05 H new ATOM 0 HG22 VAL A 128 0.232 6.211 -9.857 1.00 51.05 H new ATOM 0 HG23 VAL A 128 -1.259 6.338 -8.895 1.00 51.05 H new ATOM 2029 N LEU A 129 -1.161 1.858 -7.745 1.00 34.21 N ATOM 2030 CA LEU A 129 -1.140 0.529 -7.096 1.00 3.04 C ATOM 2031 C LEU A 129 -1.464 -0.620 -8.085 1.00 21.23 C ATOM 2032 O LEU A 129 -0.717 -1.597 -8.170 1.00 4.35 O ATOM 2033 CB LEU A 129 -2.196 0.550 -5.969 1.00 42.44 C ATOM 2034 CG LEU A 129 -2.543 -0.826 -5.299 1.00 53.13 C ATOM 2035 CD1 LEU A 129 -1.572 -1.175 -4.146 1.00 43.34 C ATOM 2036 CD2 LEU A 129 -4.017 -0.850 -4.866 1.00 24.31 C ATOM 0 H LEU A 129 -1.732 2.534 -7.237 1.00 34.21 H new ATOM 0 HA LEU A 129 -0.137 0.340 -6.712 1.00 3.04 H new ATOM 0 HB2 LEU A 129 -1.848 1.229 -5.190 1.00 42.44 H new ATOM 0 HB3 LEU A 129 -3.116 0.973 -6.373 1.00 42.44 H new ATOM 0 HG LEU A 129 -2.406 -1.612 -6.041 1.00 53.13 H new ATOM 0 HD11 LEU A 129 -1.852 -2.135 -3.713 1.00 43.34 H new ATOM 0 HD12 LEU A 129 -0.554 -1.234 -4.532 1.00 43.34 H new ATOM 0 HD13 LEU A 129 -1.625 -0.402 -3.379 1.00 43.34 H new ATOM 0 HD21 LEU A 129 -4.245 -1.810 -4.403 1.00 24.31 H new ATOM 0 HD22 LEU A 129 -4.199 -0.049 -4.149 1.00 24.31 H new ATOM 0 HD23 LEU A 129 -4.655 -0.708 -5.738 1.00 24.31 H new ATOM 2048 N GLU A 130 -2.594 -0.481 -8.807 1.00 61.23 N ATOM 2049 CA GLU A 130 -3.093 -1.508 -9.742 1.00 51.04 C ATOM 2050 C GLU A 130 -2.157 -1.684 -10.946 1.00 10.50 C ATOM 2051 O GLU A 130 -2.054 -2.787 -11.491 1.00 60.42 O ATOM 2052 CB GLU A 130 -4.539 -1.198 -10.199 1.00 24.41 C ATOM 2053 CG GLU A 130 -5.578 -1.249 -9.054 1.00 70.23 C ATOM 2054 CD GLU A 130 -7.025 -1.145 -9.551 1.00 43.23 C ATOM 2055 OE1 GLU A 130 -7.487 -2.079 -10.239 1.00 63.20 O ATOM 2056 OE2 GLU A 130 -7.716 -0.151 -9.254 1.00 21.42 O ATOM 0 H GLU A 130 -3.187 0.348 -8.758 1.00 61.23 H new ATOM 0 HA GLU A 130 -3.110 -2.455 -9.202 1.00 51.04 H new ATOM 0 HB2 GLU A 130 -4.562 -0.208 -10.655 1.00 24.41 H new ATOM 0 HB3 GLU A 130 -4.827 -1.911 -10.971 1.00 24.41 H new ATOM 0 HG2 GLU A 130 -5.456 -2.181 -8.502 1.00 70.23 H new ATOM 0 HG3 GLU A 130 -5.381 -0.436 -8.355 1.00 70.23 H new ATOM 2063 N THR A 131 -1.480 -0.595 -11.360 1.00 42.34 N ATOM 2064 CA THR A 131 -0.457 -0.654 -12.419 1.00 33.22 C ATOM 2065 C THR A 131 0.845 -1.330 -11.901 1.00 61.52 C ATOM 2066 O THR A 131 1.521 -2.038 -12.658 1.00 4.44 O ATOM 2067 CB THR A 131 -0.146 0.771 -12.986 1.00 11.22 C ATOM 2068 OG1 THR A 131 -1.373 1.413 -13.362 1.00 22.12 O ATOM 2069 CG2 THR A 131 0.774 0.725 -14.217 1.00 2.02 C ATOM 0 H THR A 131 -1.625 0.338 -10.975 1.00 42.34 H new ATOM 0 HA THR A 131 -0.859 -1.261 -13.230 1.00 33.22 H new ATOM 0 HB THR A 131 0.366 1.325 -12.199 1.00 11.22 H new ATOM 0 HG1 THR A 131 -1.838 1.726 -12.558 1.00 22.12 H new ATOM 0 HG21 THR A 131 0.959 1.739 -14.571 1.00 2.02 H new ATOM 0 HG22 THR A 131 1.721 0.257 -13.947 1.00 2.02 H new ATOM 0 HG23 THR A 131 0.296 0.146 -15.007 1.00 2.02 H new ATOM 2077 N VAL A 132 1.166 -1.123 -10.598 1.00 25.33 N ATOM 2078 CA VAL A 132 2.357 -1.719 -9.942 1.00 61.31 C ATOM 2079 C VAL A 132 2.228 -3.246 -9.878 1.00 25.11 C ATOM 2080 O VAL A 132 3.084 -3.966 -10.388 1.00 52.43 O ATOM 2081 CB VAL A 132 2.555 -1.135 -8.485 1.00 34.04 C ATOM 2082 CG1 VAL A 132 3.653 -1.882 -7.687 1.00 21.02 C ATOM 2083 CG2 VAL A 132 2.870 0.367 -8.556 1.00 22.41 C ATOM 0 H VAL A 132 0.608 -0.540 -9.975 1.00 25.33 H new ATOM 0 HA VAL A 132 3.231 -1.461 -10.540 1.00 61.31 H new ATOM 0 HB VAL A 132 1.618 -1.285 -7.948 1.00 34.04 H new ATOM 0 HG11 VAL A 132 3.746 -1.440 -6.695 1.00 21.02 H new ATOM 0 HG12 VAL A 132 3.382 -2.933 -7.591 1.00 21.02 H new ATOM 0 HG13 VAL A 132 4.605 -1.799 -8.212 1.00 21.02 H new ATOM 0 HG21 VAL A 132 3.004 0.759 -7.548 1.00 22.41 H new ATOM 0 HG22 VAL A 132 3.784 0.520 -9.130 1.00 22.41 H new ATOM 0 HG23 VAL A 132 2.045 0.889 -9.041 1.00 22.41 H new ATOM 2093 N ILE A 133 1.118 -3.711 -9.280 1.00 51.14 N ATOM 2094 CA ILE A 133 0.803 -5.145 -9.151 1.00 34.42 C ATOM 2095 C ILE A 133 0.581 -5.743 -10.554 1.00 55.23 C ATOM 2096 O ILE A 133 1.073 -6.833 -10.870 1.00 43.14 O ATOM 2097 CB ILE A 133 -0.470 -5.362 -8.231 1.00 53.35 C ATOM 2098 CG1 ILE A 133 -0.167 -4.884 -6.770 1.00 51.43 C ATOM 2099 CG2 ILE A 133 -0.968 -6.832 -8.258 1.00 54.22 C ATOM 2100 CD1 ILE A 133 -1.309 -5.055 -5.781 1.00 51.51 C ATOM 0 H ILE A 133 0.411 -3.101 -8.871 1.00 51.14 H new ATOM 0 HA ILE A 133 1.639 -5.656 -8.675 1.00 34.42 H new ATOM 0 HB ILE A 133 -1.281 -4.755 -8.633 1.00 53.35 H new ATOM 0 HG12 ILE A 133 0.699 -5.432 -6.398 1.00 51.43 H new ATOM 0 HG13 ILE A 133 0.111 -3.831 -6.800 1.00 51.43 H new ATOM 0 HG21 ILE A 133 -1.841 -6.932 -7.613 1.00 54.22 H new ATOM 0 HG22 ILE A 133 -1.237 -7.106 -9.278 1.00 54.22 H new ATOM 0 HG23 ILE A 133 -0.176 -7.491 -7.902 1.00 54.22 H new ATOM 0 HD11 ILE A 133 -0.998 -4.695 -4.800 1.00 51.51 H new ATOM 0 HD12 ILE A 133 -2.173 -4.484 -6.120 1.00 51.51 H new ATOM 0 HD13 ILE A 133 -1.576 -6.110 -5.712 1.00 51.51 H new ATOM 2112 N GLY A 134 -0.114 -4.965 -11.396 1.00 61.32 N ATOM 2113 CA GLY A 134 -0.480 -5.372 -12.743 1.00 32.52 C ATOM 2114 C GLY A 134 0.706 -5.712 -13.635 1.00 24.34 C ATOM 2115 O GLY A 134 0.719 -6.772 -14.257 1.00 15.40 O ATOM 0 H GLY A 134 -0.437 -4.029 -11.151 1.00 61.32 H new ATOM 0 HA2 GLY A 134 -1.136 -6.240 -12.683 1.00 32.52 H new ATOM 0 HA3 GLY A 134 -1.054 -4.571 -13.210 1.00 32.52 H new ATOM 2119 N THR A 135 1.723 -4.832 -13.664 1.00 40.13 N ATOM 2120 CA THR A 135 2.896 -4.991 -14.560 1.00 21.45 C ATOM 2121 C THR A 135 3.779 -6.194 -14.149 1.00 34.11 C ATOM 2122 O THR A 135 4.593 -6.678 -14.945 1.00 14.14 O ATOM 2123 CB THR A 135 3.738 -3.666 -14.643 1.00 1.22 C ATOM 2124 OG1 THR A 135 4.703 -3.748 -15.708 1.00 63.24 O ATOM 2125 CG2 THR A 135 4.464 -3.333 -13.327 1.00 53.11 C ATOM 0 H THR A 135 1.761 -3.999 -13.077 1.00 40.13 H new ATOM 0 HA THR A 135 2.510 -5.202 -15.557 1.00 21.45 H new ATOM 0 HB THR A 135 3.027 -2.864 -14.840 1.00 1.22 H new ATOM 0 HG1 THR A 135 5.011 -4.674 -15.800 1.00 63.24 H new ATOM 0 HG21 THR A 135 5.028 -2.408 -13.447 1.00 53.11 H new ATOM 0 HG22 THR A 135 3.732 -3.211 -12.529 1.00 53.11 H new ATOM 0 HG23 THR A 135 5.147 -4.144 -13.073 1.00 53.11 H new ATOM 2133 N ILE A 136 3.581 -6.679 -12.913 1.00 62.12 N ATOM 2134 CA ILE A 136 4.281 -7.849 -12.359 1.00 23.23 C ATOM 2135 C ILE A 136 3.484 -9.122 -12.683 1.00 40.13 C ATOM 2136 O ILE A 136 4.056 -10.175 -12.978 1.00 43.40 O ATOM 2137 CB ILE A 136 4.460 -7.687 -10.806 1.00 53.24 C ATOM 2138 CG1 ILE A 136 5.213 -6.361 -10.504 1.00 5.12 C ATOM 2139 CG2 ILE A 136 5.190 -8.898 -10.176 1.00 14.45 C ATOM 2140 CD1 ILE A 136 5.270 -5.993 -9.043 1.00 74.33 C ATOM 0 H ILE A 136 2.918 -6.262 -12.259 1.00 62.12 H new ATOM 0 HA ILE A 136 5.270 -7.927 -12.809 1.00 23.23 H new ATOM 0 HB ILE A 136 3.470 -7.649 -10.351 1.00 53.24 H new ATOM 0 HG12 ILE A 136 6.231 -6.441 -10.885 1.00 5.12 H new ATOM 0 HG13 ILE A 136 4.730 -5.551 -11.051 1.00 5.12 H new ATOM 0 HG21 ILE A 136 5.292 -8.743 -9.102 1.00 14.45 H new ATOM 0 HG22 ILE A 136 4.614 -9.805 -10.359 1.00 14.45 H new ATOM 0 HG23 ILE A 136 6.179 -9.000 -10.623 1.00 14.45 H new ATOM 0 HD11 ILE A 136 5.813 -5.055 -8.925 1.00 74.33 H new ATOM 0 HD12 ILE A 136 4.257 -5.877 -8.657 1.00 74.33 H new ATOM 0 HD13 ILE A 136 5.781 -6.780 -8.489 1.00 74.33 H new