USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=27 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 45 GLN : amide:sc= -0.552 X(o=-0.7,f=-0.42) USER MOD Set 1.2: A 109 GLN : amide:sc= -0.149 K(o=-0.7,f=-2.6) USER MOD Set 2.1: A 91 THR OG1 : rot -79:sc= 1.14 USER MOD Set 2.2: A 93 CYS SG : rot 76:sc= -3.12! 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=-0.24) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0545 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 75:sc= 0.784 USER MOD Single : A 39 SER OG : rot 80:sc= 1.31 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.876 K(o=-0.88,f=-2) USER MOD Single : A 46 GLN : amide:sc= -0.359 K(o=-0.36,f=-3.5!) 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 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 61 MET CE :methyl 164:sc= -0.135 (180deg=-0.534) USER MOD Single : A 64 GLN : amide:sc= -3.45! K(o=-3.4!,f=-0.54) USER MOD Single : A 67 ASN : amide:sc= -0.0625 K(o=-0.063,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -1.88! C(o=-1.9!,f=-5.7!) USER MOD Single : A 70 THR OG1 : rot -160:sc= 0 USER MOD Single : A 73 MET CE :methyl -133:sc= -0.215 (180deg=-0.675) USER MOD Single : A 74 SER OG : rot 70:sc= 0.495 USER MOD Single : A 78 SER OG : rot -50:sc= 0.805 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -1.98! (180deg=-2.34!) USER MOD Single : A 84 TYR OH : rot 55:sc= 0.389 USER MOD Single : A 86 SER OG : rot 29:sc= -0.216 USER MOD Single : A 88 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.2!) USER MOD Single : A 97 THR OG1 : rot -178:sc= -0.11 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -165:sc= -0.0735 (180deg=-0.41) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -141:sc= 1.36 (180deg=0.465) USER MOD Single : A 114 GLN : amide:sc= -3! C(o=-3!,f=-6.2!) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.739 USER MOD Single : A 123 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.66) USER MOD Single : A 124 SER OG : rot -173:sc= -0.127 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 71:sc= 1.03 USER MOD Single : A 135 THR OG1 : rot 74:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -1.546 14.080 -7.179 1.00 41.04 N ATOM 287 CA LEU A 20 -0.688 13.075 -6.549 1.00 32.25 C ATOM 288 C LEU A 20 0.738 13.154 -7.134 1.00 74.31 C ATOM 289 O LEU A 20 1.003 12.644 -8.232 1.00 64.14 O ATOM 290 CB LEU A 20 -1.279 11.658 -6.800 1.00 53.01 C ATOM 291 CG LEU A 20 -0.524 10.450 -6.140 1.00 52.25 C ATOM 292 CD1 LEU A 20 -0.836 10.346 -4.643 1.00 33.11 C ATOM 293 CD2 LEU A 20 -0.828 9.123 -6.862 1.00 53.32 C ATOM 0 HA LEU A 20 -0.642 13.266 -5.477 1.00 32.25 H new ATOM 0 HB2 LEU A 20 -2.309 11.651 -6.443 1.00 53.01 H new ATOM 0 HB3 LEU A 20 -1.314 11.490 -7.876 1.00 53.01 H new ATOM 0 HG LEU A 20 0.543 10.643 -6.246 1.00 52.25 H new ATOM 0 HD11 LEU A 20 -0.297 9.499 -4.217 1.00 33.11 H new ATOM 0 HD12 LEU A 20 -0.525 11.263 -4.142 1.00 33.11 H new ATOM 0 HD13 LEU A 20 -1.907 10.202 -4.504 1.00 33.11 H new ATOM 0 HD21 LEU A 20 -0.287 8.312 -6.375 1.00 53.32 H new ATOM 0 HD22 LEU A 20 -1.898 8.922 -6.819 1.00 53.32 H new ATOM 0 HD23 LEU A 20 -0.514 9.195 -7.903 1.00 53.32 H new ATOM 305 N MET A 21 1.636 13.827 -6.426 1.00 71.22 N ATOM 306 CA MET A 21 3.068 13.853 -6.747 1.00 52.34 C ATOM 307 C MET A 21 3.822 13.288 -5.548 1.00 11.31 C ATOM 308 O MET A 21 4.083 14.018 -4.590 1.00 55.00 O ATOM 309 CB MET A 21 3.522 15.309 -7.079 1.00 11.10 C ATOM 310 CG MET A 21 5.033 15.483 -7.326 1.00 0.11 C ATOM 311 SD MET A 21 5.506 17.198 -7.635 1.00 51.41 S ATOM 312 CE MET A 21 7.277 17.041 -7.896 1.00 71.23 C ATOM 0 H MET A 21 1.394 14.378 -5.603 1.00 71.22 H new ATOM 0 HA MET A 21 3.280 13.247 -7.628 1.00 52.34 H new ATOM 0 HB2 MET A 21 2.984 15.648 -7.964 1.00 11.10 H new ATOM 0 HB3 MET A 21 3.227 15.961 -6.257 1.00 11.10 H new ATOM 0 HG2 MET A 21 5.582 15.111 -6.461 1.00 0.11 H new ATOM 0 HG3 MET A 21 5.329 14.871 -8.178 1.00 0.11 H new ATOM 0 HE1 MET A 21 7.704 18.024 -8.098 1.00 71.23 H new ATOM 0 HE2 MET A 21 7.740 16.621 -7.003 1.00 71.23 H new ATOM 0 HE3 MET A 21 7.463 16.383 -8.745 1.00 71.23 H new ATOM 322 N LEU A 22 4.169 11.988 -5.585 1.00 51.12 N ATOM 323 CA LEU A 22 4.818 11.318 -4.448 1.00 23.01 C ATOM 324 C LEU A 22 6.283 11.778 -4.389 1.00 63.23 C ATOM 325 O LEU A 22 7.102 11.410 -5.233 1.00 44.32 O ATOM 326 CB LEU A 22 4.678 9.770 -4.573 1.00 73.44 C ATOM 327 CG LEU A 22 3.219 9.208 -4.471 1.00 62.51 C ATOM 328 CD1 LEU A 22 3.159 7.700 -4.755 1.00 23.53 C ATOM 329 CD2 LEU A 22 2.587 9.523 -3.103 1.00 0.24 C ATOM 0 H LEU A 22 4.010 11.383 -6.391 1.00 51.12 H new ATOM 0 HA LEU A 22 4.333 11.591 -3.511 1.00 23.01 H new ATOM 0 HB2 LEU A 22 5.100 9.462 -5.530 1.00 73.44 H new ATOM 0 HB3 LEU A 22 5.282 9.305 -3.794 1.00 73.44 H new ATOM 0 HG LEU A 22 2.638 9.714 -5.242 1.00 62.51 H new ATOM 0 HD11 LEU A 22 2.128 7.355 -4.673 1.00 23.53 H new ATOM 0 HD12 LEU A 22 3.528 7.504 -5.762 1.00 23.53 H new ATOM 0 HD13 LEU A 22 3.778 7.169 -4.032 1.00 23.53 H new ATOM 0 HD21 LEU A 22 1.575 9.118 -3.068 1.00 0.24 H new ATOM 0 HD22 LEU A 22 3.186 9.071 -2.313 1.00 0.24 H new ATOM 0 HD23 LEU A 22 2.551 10.603 -2.959 1.00 0.24 H new ATOM 409 N GLN A 27 10.417 9.249 5.737 1.00 70.52 N ATOM 410 CA GLN A 27 9.791 7.926 5.854 1.00 44.21 C ATOM 411 C GLN A 27 9.255 7.666 7.276 1.00 21.34 C ATOM 412 O GLN A 27 9.965 7.890 8.265 1.00 65.40 O ATOM 413 CB GLN A 27 10.823 6.847 5.444 1.00 72.41 C ATOM 414 CG GLN A 27 11.253 6.912 3.961 1.00 53.11 C ATOM 415 CD GLN A 27 12.320 5.884 3.575 1.00 73.25 C ATOM 416 OE1 GLN A 27 12.381 4.787 4.132 1.00 2.12 O ATOM 417 NE2 GLN A 27 13.165 6.229 2.612 1.00 12.01 N ATOM 0 HA GLN A 27 8.930 7.885 5.187 1.00 44.21 H new ATOM 0 HB2 GLN A 27 11.708 6.950 6.072 1.00 72.41 H new ATOM 0 HB3 GLN A 27 10.402 5.862 5.646 1.00 72.41 H new ATOM 0 HG2 GLN A 27 10.375 6.763 3.332 1.00 53.11 H new ATOM 0 HG3 GLN A 27 11.632 7.911 3.747 1.00 53.11 H new ATOM 0 HE21 GLN A 27 13.088 7.145 2.170 1.00 12.01 H new ATOM 0 HE22 GLN A 27 13.891 5.578 2.313 1.00 12.01 H new ATOM 426 N LEU A 28 7.998 7.187 7.354 1.00 55.05 N ATOM 427 CA LEU A 28 7.304 6.955 8.633 1.00 41.42 C ATOM 428 C LEU A 28 7.955 5.793 9.399 1.00 60.20 C ATOM 429 O LEU A 28 8.291 4.763 8.802 1.00 72.35 O ATOM 430 CB LEU A 28 5.800 6.638 8.408 1.00 51.30 C ATOM 431 CG LEU A 28 4.982 7.640 7.540 1.00 34.43 C ATOM 432 CD1 LEU A 28 3.480 7.304 7.589 1.00 13.44 C ATOM 433 CD2 LEU A 28 5.244 9.101 7.945 1.00 74.33 C ATOM 0 H LEU A 28 7.438 6.951 6.535 1.00 55.05 H new ATOM 0 HA LEU A 28 7.388 7.870 9.219 1.00 41.42 H new ATOM 0 HB2 LEU A 28 5.728 5.654 7.945 1.00 51.30 H new ATOM 0 HB3 LEU A 28 5.320 6.567 9.384 1.00 51.30 H new ATOM 0 HG LEU A 28 5.321 7.533 6.509 1.00 34.43 H new ATOM 0 HD11 LEU A 28 2.928 8.016 6.976 1.00 13.44 H new ATOM 0 HD12 LEU A 28 3.320 6.296 7.207 1.00 13.44 H new ATOM 0 HD13 LEU A 28 3.128 7.362 8.619 1.00 13.44 H new ATOM 0 HD21 LEU A 28 4.653 9.765 7.314 1.00 74.33 H new ATOM 0 HD22 LEU A 28 4.962 9.246 8.988 1.00 74.33 H new ATOM 0 HD23 LEU A 28 6.303 9.329 7.820 1.00 74.33 H new ATOM 445 N THR A 29 8.134 5.967 10.713 1.00 73.11 N ATOM 446 CA THR A 29 8.567 4.883 11.597 1.00 43.24 C ATOM 447 C THR A 29 7.416 3.872 11.748 1.00 52.40 C ATOM 448 O THR A 29 6.250 4.236 11.565 1.00 2.14 O ATOM 449 CB THR A 29 8.988 5.438 12.992 1.00 34.15 C ATOM 450 OG1 THR A 29 7.874 6.104 13.605 1.00 11.12 O ATOM 451 CG2 THR A 29 10.180 6.415 12.883 1.00 42.12 C ATOM 0 H THR A 29 7.984 6.856 11.189 1.00 73.11 H new ATOM 0 HA THR A 29 9.435 4.390 11.160 1.00 43.24 H new ATOM 0 HB THR A 29 9.301 4.593 13.606 1.00 34.15 H new ATOM 0 HG1 THR A 29 8.142 6.450 14.482 1.00 11.12 H new ATOM 0 HG21 THR A 29 10.443 6.780 13.876 1.00 42.12 H new ATOM 0 HG22 THR A 29 11.035 5.898 12.448 1.00 42.12 H new ATOM 0 HG23 THR A 29 9.903 7.257 12.249 1.00 42.12 H new ATOM 459 N ALA A 30 7.753 2.608 12.045 1.00 50.40 N ATOM 460 CA ALA A 30 6.763 1.536 12.238 1.00 73.32 C ATOM 461 C ALA A 30 5.790 1.881 13.374 1.00 60.35 C ATOM 462 O ALA A 30 4.617 1.540 13.294 1.00 34.51 O ATOM 463 CB ALA A 30 7.468 0.190 12.495 1.00 12.03 C ATOM 0 H ALA A 30 8.719 2.300 12.158 1.00 50.40 H new ATOM 0 HA ALA A 30 6.178 1.442 11.323 1.00 73.32 H new ATOM 0 HB1 ALA A 30 6.721 -0.591 12.635 1.00 12.03 H new ATOM 0 HB2 ALA A 30 8.098 -0.060 11.641 1.00 12.03 H new ATOM 0 HB3 ALA A 30 8.085 0.267 13.390 1.00 12.03 H new ATOM 469 N ASP A 31 6.304 2.564 14.422 1.00 70.13 N ATOM 470 CA ASP A 31 5.495 3.034 15.570 1.00 0.53 C ATOM 471 C ASP A 31 4.468 4.098 15.143 1.00 41.12 C ATOM 472 O ASP A 31 3.306 4.047 15.572 1.00 23.33 O ATOM 473 CB ASP A 31 6.409 3.599 16.693 1.00 54.40 C ATOM 474 CG ASP A 31 7.386 2.549 17.245 1.00 62.51 C ATOM 475 OD1 ASP A 31 6.970 1.730 18.104 1.00 21.34 O ATOM 476 OD2 ASP A 31 8.563 2.522 16.809 1.00 22.33 O ATOM 0 H ASP A 31 7.292 2.805 14.496 1.00 70.13 H new ATOM 0 HA ASP A 31 4.949 2.173 15.956 1.00 0.53 H new ATOM 0 HB2 ASP A 31 6.974 4.446 16.305 1.00 54.40 H new ATOM 0 HB3 ASP A 31 5.788 3.975 17.506 1.00 54.40 H new ATOM 481 N TYR A 32 4.904 5.062 14.297 1.00 34.31 N ATOM 482 CA TYR A 32 4.023 6.133 13.794 1.00 31.31 C ATOM 483 C TYR A 32 2.957 5.537 12.871 1.00 4.13 C ATOM 484 O TYR A 32 1.780 5.870 12.994 1.00 74.41 O ATOM 485 CB TYR A 32 4.813 7.243 13.038 1.00 21.22 C ATOM 486 CG TYR A 32 3.926 8.390 12.508 1.00 73.11 C ATOM 487 CD1 TYR A 32 3.558 9.455 13.331 1.00 44.14 C ATOM 488 CD2 TYR A 32 3.431 8.391 11.192 1.00 1.34 C ATOM 489 CE1 TYR A 32 2.746 10.476 12.864 1.00 11.10 C ATOM 490 CE2 TYR A 32 2.617 9.407 10.727 1.00 31.01 C ATOM 491 CZ TYR A 32 2.277 10.445 11.567 1.00 70.13 C ATOM 492 OH TYR A 32 1.462 11.462 11.108 1.00 23.51 O ATOM 0 H TYR A 32 5.862 5.116 13.951 1.00 34.31 H new ATOM 0 HA TYR A 32 3.551 6.599 14.659 1.00 31.31 H new ATOM 0 HB2 TYR A 32 5.567 7.659 13.707 1.00 21.22 H new ATOM 0 HB3 TYR A 32 5.345 6.791 12.201 1.00 21.22 H new ATOM 0 HD1 TYR A 32 3.913 9.484 14.351 1.00 44.14 H new ATOM 0 HD2 TYR A 32 3.693 7.579 10.529 1.00 1.34 H new ATOM 0 HE1 TYR A 32 2.480 11.296 13.515 1.00 11.10 H new ATOM 0 HE2 TYR A 32 2.250 9.387 9.712 1.00 31.01 H new ATOM 0 HH TYR A 32 1.220 11.291 10.174 1.00 23.51 H new ATOM 502 N PHE A 33 3.395 4.660 11.941 1.00 71.14 N ATOM 503 CA PHE A 33 2.506 3.984 10.983 1.00 61.12 C ATOM 504 C PHE A 33 1.446 3.164 11.729 1.00 61.30 C ATOM 505 O PHE A 33 0.279 3.203 11.366 1.00 13.11 O ATOM 506 CB PHE A 33 3.309 3.061 10.025 1.00 61.32 C ATOM 507 CG PHE A 33 2.447 2.325 8.984 1.00 42.40 C ATOM 508 CD1 PHE A 33 1.842 1.096 9.271 1.00 45.54 C ATOM 509 CD2 PHE A 33 2.213 2.875 7.731 1.00 12.01 C ATOM 510 CE1 PHE A 33 1.043 0.459 8.352 1.00 43.32 C ATOM 511 CE2 PHE A 33 1.416 2.224 6.806 1.00 44.32 C ATOM 512 CZ PHE A 33 0.828 1.022 7.117 1.00 24.12 C ATOM 0 H PHE A 33 4.377 4.404 11.837 1.00 71.14 H new ATOM 0 HA PHE A 33 2.013 4.751 10.386 1.00 61.12 H new ATOM 0 HB2 PHE A 33 4.055 3.660 9.503 1.00 61.32 H new ATOM 0 HB3 PHE A 33 3.850 2.324 10.618 1.00 61.32 H new ATOM 0 HD1 PHE A 33 2.007 0.638 10.235 1.00 45.54 H new ATOM 0 HD2 PHE A 33 2.659 3.824 7.475 1.00 12.01 H new ATOM 0 HE1 PHE A 33 0.583 -0.486 8.601 1.00 43.32 H new ATOM 0 HE2 PHE A 33 1.255 2.664 5.833 1.00 44.32 H new ATOM 0 HZ PHE A 33 0.200 0.522 6.395 1.00 24.12 H new ATOM 522 N GLU A 34 1.893 2.426 12.767 1.00 24.23 N ATOM 523 CA GLU A 34 1.029 1.547 13.572 1.00 0.43 C ATOM 524 C GLU A 34 -0.049 2.386 14.270 1.00 34.32 C ATOM 525 O GLU A 34 -1.235 2.033 14.252 1.00 2.24 O ATOM 526 CB GLU A 34 1.880 0.765 14.613 1.00 13.12 C ATOM 527 CG GLU A 34 1.105 -0.237 15.504 1.00 10.20 C ATOM 528 CD GLU A 34 0.462 -1.398 14.718 1.00 30.44 C ATOM 529 OE1 GLU A 34 -0.683 -1.249 14.230 1.00 45.30 O ATOM 530 OE2 GLU A 34 1.099 -2.466 14.585 1.00 43.21 O ATOM 0 H GLU A 34 2.867 2.425 13.069 1.00 24.23 H new ATOM 0 HA GLU A 34 0.542 0.822 12.920 1.00 0.43 H new ATOM 0 HB2 GLU A 34 2.660 0.220 14.081 1.00 13.12 H new ATOM 0 HB3 GLU A 34 2.380 1.486 15.260 1.00 13.12 H new ATOM 0 HG2 GLU A 34 1.786 -0.648 16.250 1.00 10.20 H new ATOM 0 HG3 GLU A 34 0.325 0.299 16.045 1.00 10.20 H new ATOM 537 N LYS A 35 0.386 3.538 14.830 1.00 71.33 N ATOM 538 CA LYS A 35 -0.502 4.472 15.523 1.00 51.42 C ATOM 539 C LYS A 35 -1.558 5.013 14.552 1.00 2.44 C ATOM 540 O LYS A 35 -2.744 4.860 14.803 1.00 41.42 O ATOM 541 CB LYS A 35 0.306 5.641 16.155 1.00 65.21 C ATOM 542 CG LYS A 35 -0.542 6.625 17.005 1.00 21.13 C ATOM 543 CD LYS A 35 -1.222 5.954 18.225 1.00 34.04 C ATOM 544 CE LYS A 35 -0.209 5.373 19.232 1.00 41.15 C ATOM 545 NZ LYS A 35 -0.868 4.726 20.397 1.00 23.42 N ATOM 0 H LYS A 35 1.361 3.837 14.809 1.00 71.33 H new ATOM 0 HA LYS A 35 -1.005 3.936 16.328 1.00 51.42 H new ATOM 0 HB2 LYS A 35 1.093 5.224 16.783 1.00 65.21 H new ATOM 0 HB3 LYS A 35 0.797 6.199 15.358 1.00 65.21 H new ATOM 0 HG2 LYS A 35 0.097 7.436 17.355 1.00 21.13 H new ATOM 0 HG3 LYS A 35 -1.308 7.073 16.372 1.00 21.13 H new ATOM 0 HD2 LYS A 35 -1.851 6.686 18.732 1.00 34.04 H new ATOM 0 HD3 LYS A 35 -1.878 5.156 17.876 1.00 34.04 H new ATOM 0 HE2 LYS A 35 0.423 4.644 18.726 1.00 41.15 H new ATOM 0 HE3 LYS A 35 0.444 6.171 19.586 1.00 41.15 H new ATOM 0 HZ1 LYS A 35 -0.143 4.352 21.043 1.00 23.42 H new ATOM 0 HZ2 LYS A 35 -1.451 5.426 20.899 1.00 23.42 H new ATOM 0 HZ3 LYS A 35 -1.471 3.946 20.066 1.00 23.42 H new ATOM 559 N THR A 36 -1.094 5.545 13.399 1.00 44.13 N ATOM 560 CA THR A 36 -1.945 6.262 12.430 1.00 63.21 C ATOM 561 C THR A 36 -2.915 5.289 11.719 1.00 65.14 C ATOM 562 O THR A 36 -4.056 5.651 11.408 1.00 50.52 O ATOM 563 CB THR A 36 -1.068 7.046 11.394 1.00 3.13 C ATOM 564 OG1 THR A 36 -0.104 7.857 12.099 1.00 74.00 O ATOM 565 CG2 THR A 36 -1.915 7.960 10.483 1.00 22.43 C ATOM 0 H THR A 36 -0.116 5.488 13.116 1.00 44.13 H new ATOM 0 HA THR A 36 -2.546 6.988 12.978 1.00 63.21 H new ATOM 0 HB THR A 36 -0.571 6.309 10.763 1.00 3.13 H new ATOM 0 HG1 THR A 36 0.612 7.286 12.447 1.00 74.00 H new ATOM 0 HG21 THR A 36 -1.262 8.482 9.783 1.00 22.43 H new ATOM 0 HG22 THR A 36 -2.633 7.356 9.928 1.00 22.43 H new ATOM 0 HG23 THR A 36 -2.448 8.689 11.093 1.00 22.43 H new ATOM 573 N TRP A 37 -2.448 4.040 11.511 1.00 62.21 N ATOM 574 CA TRP A 37 -3.252 2.953 10.932 1.00 21.34 C ATOM 575 C TRP A 37 -4.467 2.681 11.831 1.00 13.41 C ATOM 576 O TRP A 37 -5.606 2.714 11.365 1.00 13.31 O ATOM 577 CB TRP A 37 -2.383 1.669 10.758 1.00 43.21 C ATOM 578 CG TRP A 37 -3.129 0.488 10.166 1.00 63.22 C ATOM 579 CD1 TRP A 37 -3.748 -0.520 10.849 1.00 70.41 C ATOM 580 CD2 TRP A 37 -3.338 0.204 8.772 1.00 45.05 C ATOM 581 NE1 TRP A 37 -4.336 -1.397 9.972 1.00 15.23 N ATOM 582 CE2 TRP A 37 -4.102 -0.975 8.694 1.00 75.34 C ATOM 583 CE3 TRP A 37 -2.958 0.833 7.591 1.00 13.30 C ATOM 584 CZ2 TRP A 37 -4.497 -1.528 7.479 1.00 73.33 C ATOM 585 CZ3 TRP A 37 -3.351 0.288 6.386 1.00 53.24 C ATOM 586 CH2 TRP A 37 -4.115 -0.880 6.336 1.00 65.23 C ATOM 0 H TRP A 37 -1.495 3.760 11.743 1.00 62.21 H new ATOM 0 HA TRP A 37 -3.607 3.250 9.945 1.00 21.34 H new ATOM 0 HB2 TRP A 37 -1.532 1.904 10.119 1.00 43.21 H new ATOM 0 HB3 TRP A 37 -1.982 1.381 11.730 1.00 43.21 H new ATOM 0 HD1 TRP A 37 -3.771 -0.614 11.925 1.00 70.41 H new ATOM 0 HE1 TRP A 37 -4.863 -2.230 10.233 1.00 15.23 H new ATOM 0 HE3 TRP A 37 -2.364 1.735 7.617 1.00 13.30 H new ATOM 0 HZ2 TRP A 37 -5.083 -2.434 7.440 1.00 73.33 H new ATOM 0 HZ3 TRP A 37 -3.063 0.773 5.465 1.00 53.24 H new ATOM 0 HH2 TRP A 37 -4.410 -1.279 5.377 1.00 65.23 H new ATOM 597 N LEU A 38 -4.202 2.466 13.136 1.00 72.20 N ATOM 598 CA LEU A 38 -5.254 2.190 14.133 1.00 34.14 C ATOM 599 C LEU A 38 -6.102 3.456 14.423 1.00 14.23 C ATOM 600 O LEU A 38 -7.274 3.349 14.809 1.00 64.04 O ATOM 601 CB LEU A 38 -4.617 1.610 15.433 1.00 64.42 C ATOM 602 CG LEU A 38 -3.786 0.293 15.260 1.00 71.33 C ATOM 603 CD1 LEU A 38 -3.206 -0.196 16.602 1.00 14.12 C ATOM 604 CD2 LEU A 38 -4.601 -0.817 14.566 1.00 24.41 C ATOM 0 H LEU A 38 -3.259 2.479 13.525 1.00 72.20 H new ATOM 0 HA LEU A 38 -5.934 1.443 13.725 1.00 34.14 H new ATOM 0 HB2 LEU A 38 -3.969 2.371 15.868 1.00 64.42 H new ATOM 0 HB3 LEU A 38 -5.414 1.422 16.152 1.00 64.42 H new ATOM 0 HG LEU A 38 -2.947 0.534 14.607 1.00 71.33 H new ATOM 0 HD11 LEU A 38 -2.637 -1.111 16.440 1.00 14.12 H new ATOM 0 HD12 LEU A 38 -2.551 0.571 17.016 1.00 14.12 H new ATOM 0 HD13 LEU A 38 -4.020 -0.394 17.300 1.00 14.12 H new ATOM 0 HD21 LEU A 38 -3.986 -1.712 14.467 1.00 24.41 H new ATOM 0 HD22 LEU A 38 -5.484 -1.048 15.163 1.00 24.41 H new ATOM 0 HD23 LEU A 38 -4.910 -0.477 13.577 1.00 24.41 H new ATOM 616 N SER A 39 -5.498 4.652 14.203 1.00 2.35 N ATOM 617 CA SER A 39 -6.170 5.964 14.373 1.00 74.10 C ATOM 618 C SER A 39 -7.212 6.227 13.275 1.00 44.34 C ATOM 619 O SER A 39 -8.136 7.026 13.478 1.00 12.31 O ATOM 620 CB SER A 39 -5.126 7.113 14.350 1.00 72.44 C ATOM 621 OG SER A 39 -4.229 7.020 15.433 1.00 44.52 O ATOM 0 H SER A 39 -4.527 4.732 13.901 1.00 2.35 H new ATOM 0 HA SER A 39 -6.680 5.933 15.336 1.00 74.10 H new ATOM 0 HB2 SER A 39 -4.570 7.082 13.413 1.00 72.44 H new ATOM 0 HB3 SER A 39 -5.640 8.073 14.384 1.00 72.44 H new ATOM 0 HG SER A 39 -3.546 6.346 15.235 1.00 44.52 H new ATOM 627 N LEU A 40 -7.045 5.584 12.107 1.00 65.51 N ATOM 628 CA LEU A 40 -7.935 5.763 10.952 1.00 30.43 C ATOM 629 C LEU A 40 -8.723 4.463 10.694 1.00 73.14 C ATOM 630 O LEU A 40 -8.335 3.378 11.145 1.00 61.33 O ATOM 631 CB LEU A 40 -7.090 6.159 9.707 1.00 61.14 C ATOM 632 CG LEU A 40 -6.293 7.496 9.822 1.00 75.43 C ATOM 633 CD1 LEU A 40 -5.338 7.677 8.637 1.00 0.04 C ATOM 634 CD2 LEU A 40 -7.233 8.712 9.966 1.00 62.01 C ATOM 0 H LEU A 40 -6.286 4.924 11.939 1.00 65.51 H new ATOM 0 HA LEU A 40 -8.650 6.560 11.155 1.00 30.43 H new ATOM 0 HB2 LEU A 40 -6.384 5.354 9.500 1.00 61.14 H new ATOM 0 HB3 LEU A 40 -7.756 6.228 8.847 1.00 61.14 H new ATOM 0 HG LEU A 40 -5.694 7.437 10.731 1.00 75.43 H new ATOM 0 HD11 LEU A 40 -4.797 8.617 8.746 1.00 0.04 H new ATOM 0 HD12 LEU A 40 -4.628 6.851 8.613 1.00 0.04 H new ATOM 0 HD13 LEU A 40 -5.909 7.692 7.709 1.00 0.04 H new ATOM 0 HD21 LEU A 40 -6.640 9.623 10.043 1.00 62.01 H new ATOM 0 HD22 LEU A 40 -7.883 8.775 9.093 1.00 62.01 H new ATOM 0 HD23 LEU A 40 -7.841 8.598 10.863 1.00 62.01 H new ATOM 646 N LYS A 41 -9.834 4.600 9.970 1.00 44.22 N ATOM 647 CA LYS A 41 -10.688 3.484 9.514 1.00 12.41 C ATOM 648 C LYS A 41 -10.441 3.261 8.014 1.00 1.23 C ATOM 649 O LYS A 41 -9.983 4.181 7.319 1.00 4.35 O ATOM 650 CB LYS A 41 -12.197 3.770 9.852 1.00 3.53 C ATOM 651 CG LYS A 41 -12.724 5.189 9.483 1.00 10.33 C ATOM 652 CD LYS A 41 -13.076 5.379 7.983 1.00 44.13 C ATOM 653 CE LYS A 41 -13.453 6.831 7.646 1.00 65.32 C ATOM 654 NZ LYS A 41 -13.810 6.995 6.214 1.00 64.34 N ATOM 0 H LYS A 41 -10.181 5.512 9.672 1.00 44.22 H new ATOM 0 HA LYS A 41 -10.432 2.564 10.040 1.00 12.41 H new ATOM 0 HB2 LYS A 41 -12.810 3.031 9.336 1.00 3.53 H new ATOM 0 HB3 LYS A 41 -12.344 3.616 10.921 1.00 3.53 H new ATOM 0 HG2 LYS A 41 -13.611 5.399 10.080 1.00 10.33 H new ATOM 0 HG3 LYS A 41 -11.971 5.926 9.762 1.00 10.33 H new ATOM 0 HD2 LYS A 41 -12.225 5.077 7.372 1.00 44.13 H new ATOM 0 HD3 LYS A 41 -13.905 4.722 7.722 1.00 44.13 H new ATOM 0 HE2 LYS A 41 -14.294 7.141 8.267 1.00 65.32 H new ATOM 0 HE3 LYS A 41 -12.618 7.488 7.889 1.00 65.32 H new ATOM 0 HZ1 LYS A 41 -14.057 7.988 6.029 1.00 64.34 H new ATOM 0 HZ2 LYS A 41 -13.000 6.724 5.621 1.00 64.34 H new ATOM 0 HZ3 LYS A 41 -14.623 6.388 5.987 1.00 64.34 H new ATOM 668 N VAL A 42 -10.682 2.024 7.541 1.00 21.41 N ATOM 669 CA VAL A 42 -10.529 1.655 6.118 1.00 54.44 C ATOM 670 C VAL A 42 -11.401 2.571 5.221 1.00 70.32 C ATOM 671 O VAL A 42 -12.624 2.634 5.389 1.00 13.02 O ATOM 672 CB VAL A 42 -10.898 0.140 5.869 1.00 51.23 C ATOM 673 CG1 VAL A 42 -10.725 -0.256 4.381 1.00 42.22 C ATOM 674 CG2 VAL A 42 -10.077 -0.788 6.801 1.00 21.55 C ATOM 0 H VAL A 42 -10.988 1.252 8.133 1.00 21.41 H new ATOM 0 HA VAL A 42 -9.481 1.794 5.854 1.00 54.44 H new ATOM 0 HB VAL A 42 -11.953 0.013 6.112 1.00 51.23 H new ATOM 0 HG11 VAL A 42 -10.989 -1.306 4.251 1.00 42.22 H new ATOM 0 HG12 VAL A 42 -11.376 0.361 3.762 1.00 42.22 H new ATOM 0 HG13 VAL A 42 -9.688 -0.103 4.082 1.00 42.22 H new ATOM 0 HG21 VAL A 42 -10.348 -1.826 6.611 1.00 21.55 H new ATOM 0 HG22 VAL A 42 -9.013 -0.650 6.607 1.00 21.55 H new ATOM 0 HG23 VAL A 42 -10.291 -0.541 7.841 1.00 21.55 H new ATOM 684 N ALA A 43 -10.739 3.292 4.298 1.00 70.31 N ATOM 685 CA ALA A 43 -11.397 4.227 3.363 1.00 42.32 C ATOM 686 C ALA A 43 -11.935 3.465 2.142 1.00 55.20 C ATOM 687 O ALA A 43 -13.089 3.645 1.736 1.00 22.11 O ATOM 688 CB ALA A 43 -10.414 5.325 2.925 1.00 71.23 C ATOM 0 H ALA A 43 -9.727 3.243 4.178 1.00 70.31 H new ATOM 0 HA ALA A 43 -12.236 4.701 3.873 1.00 42.32 H new ATOM 0 HB1 ALA A 43 -10.913 6.007 2.236 1.00 71.23 H new ATOM 0 HB2 ALA A 43 -10.073 5.879 3.800 1.00 71.23 H new ATOM 0 HB3 ALA A 43 -9.558 4.869 2.428 1.00 71.23 H new ATOM 694 N HIS A 44 -11.077 2.610 1.581 1.00 54.21 N ATOM 695 CA HIS A 44 -11.389 1.778 0.410 1.00 12.34 C ATOM 696 C HIS A 44 -10.723 0.405 0.579 1.00 32.01 C ATOM 697 O HIS A 44 -9.635 0.309 1.149 1.00 74.34 O ATOM 698 CB HIS A 44 -10.884 2.485 -0.870 1.00 71.14 C ATOM 699 CG HIS A 44 -11.196 1.765 -2.159 1.00 54.33 C ATOM 700 ND1 HIS A 44 -12.292 2.090 -2.917 1.00 24.34 N ATOM 701 CD2 HIS A 44 -10.512 0.771 -2.783 1.00 64.02 C ATOM 702 CE1 HIS A 44 -12.247 1.295 -3.968 1.00 0.22 C ATOM 703 NE2 HIS A 44 -11.189 0.488 -3.924 1.00 73.34 N ATOM 0 H HIS A 44 -10.129 2.472 1.931 1.00 54.21 H new ATOM 0 HA HIS A 44 -12.466 1.635 0.322 1.00 12.34 H new ATOM 0 HB2 HIS A 44 -11.321 3.483 -0.913 1.00 71.14 H new ATOM 0 HB3 HIS A 44 -9.804 2.613 -0.795 1.00 71.14 H new ATOM 0 HD1 HIS A 44 -12.995 2.799 -2.711 1.00 24.34 H new ATOM 0 HD2 HIS A 44 -9.605 0.298 -2.438 1.00 64.02 H new ATOM 0 HE1 HIS A 44 -12.977 1.298 -4.764 1.00 0.22 H new ATOM 711 N GLN A 45 -11.378 -0.649 0.071 1.00 43.31 N ATOM 712 CA GLN A 45 -10.858 -2.019 0.141 1.00 43.15 C ATOM 713 C GLN A 45 -11.424 -2.847 -1.031 1.00 23.42 C ATOM 714 O GLN A 45 -12.646 -2.947 -1.188 1.00 54.22 O ATOM 715 CB GLN A 45 -11.222 -2.665 1.509 1.00 24.22 C ATOM 716 CG GLN A 45 -10.407 -3.924 1.869 1.00 73.14 C ATOM 717 CD GLN A 45 -10.806 -4.560 3.206 1.00 25.42 C ATOM 718 OE1 GLN A 45 -11.966 -4.513 3.615 1.00 73.31 O ATOM 719 NE2 GLN A 45 -9.844 -5.129 3.908 1.00 61.33 N ATOM 0 H GLN A 45 -12.281 -0.574 -0.398 1.00 43.31 H new ATOM 0 HA GLN A 45 -9.771 -1.998 0.059 1.00 43.15 H new ATOM 0 HB2 GLN A 45 -11.082 -1.922 2.294 1.00 24.22 H new ATOM 0 HB3 GLN A 45 -12.281 -2.925 1.502 1.00 24.22 H new ATOM 0 HG2 GLN A 45 -10.528 -4.662 1.076 1.00 73.14 H new ATOM 0 HG3 GLN A 45 -9.349 -3.663 1.903 1.00 73.14 H new ATOM 0 HE21 GLN A 45 -8.892 -5.153 3.543 1.00 61.33 H new ATOM 0 HE22 GLN A 45 -10.053 -5.545 4.816 1.00 61.33 H new ATOM 728 N GLN A 46 -10.523 -3.447 -1.827 1.00 3.30 N ATOM 729 CA GLN A 46 -10.870 -4.267 -3.009 1.00 1.03 C ATOM 730 C GLN A 46 -9.883 -5.434 -3.119 1.00 2.24 C ATOM 731 O GLN A 46 -8.672 -5.247 -2.959 1.00 0.32 O ATOM 732 CB GLN A 46 -10.859 -3.436 -4.335 1.00 44.02 C ATOM 733 CG GLN A 46 -12.052 -2.472 -4.534 1.00 51.23 C ATOM 734 CD GLN A 46 -13.414 -3.144 -4.802 1.00 1.24 C ATOM 735 OE1 GLN A 46 -13.680 -4.272 -4.378 1.00 72.53 O ATOM 736 NE2 GLN A 46 -14.300 -2.442 -5.509 1.00 51.21 N ATOM 0 H GLN A 46 -9.518 -3.377 -1.669 1.00 3.30 H new ATOM 0 HA GLN A 46 -11.886 -4.638 -2.871 1.00 1.03 H new ATOM 0 HB2 GLN A 46 -9.937 -2.855 -4.370 1.00 44.02 H new ATOM 0 HB3 GLN A 46 -10.832 -4.129 -5.176 1.00 44.02 H new ATOM 0 HG2 GLN A 46 -12.144 -1.848 -3.645 1.00 51.23 H new ATOM 0 HG3 GLN A 46 -11.824 -1.808 -5.368 1.00 51.23 H new ATOM 0 HE21 GLN A 46 -14.058 -1.511 -5.849 1.00 51.21 H new ATOM 0 HE22 GLN A 46 -15.219 -2.836 -5.709 1.00 51.21 H new ATOM 745 N VAL A 47 -10.422 -6.629 -3.378 1.00 53.01 N ATOM 746 CA VAL A 47 -9.630 -7.847 -3.613 1.00 30.31 C ATOM 747 C VAL A 47 -9.509 -8.045 -5.135 1.00 22.33 C ATOM 748 O VAL A 47 -10.509 -7.928 -5.853 1.00 64.45 O ATOM 749 CB VAL A 47 -10.295 -9.118 -2.950 1.00 51.24 C ATOM 750 CG1 VAL A 47 -9.366 -10.352 -3.023 1.00 0.35 C ATOM 751 CG2 VAL A 47 -10.721 -8.836 -1.486 1.00 24.33 C ATOM 0 H VAL A 47 -11.429 -6.783 -3.432 1.00 53.01 H new ATOM 0 HA VAL A 47 -8.647 -7.729 -3.156 1.00 30.31 H new ATOM 0 HB VAL A 47 -11.193 -9.344 -3.524 1.00 51.24 H new ATOM 0 HG11 VAL A 47 -9.858 -11.206 -2.557 1.00 0.35 H new ATOM 0 HG12 VAL A 47 -9.149 -10.583 -4.066 1.00 0.35 H new ATOM 0 HG13 VAL A 47 -8.435 -10.138 -2.498 1.00 0.35 H new ATOM 0 HG21 VAL A 47 -11.175 -9.731 -1.060 1.00 24.33 H new ATOM 0 HG22 VAL A 47 -9.845 -8.559 -0.899 1.00 24.33 H new ATOM 0 HG23 VAL A 47 -11.443 -8.020 -1.468 1.00 24.33 H new ATOM 761 N LEU A 48 -8.286 -8.303 -5.622 1.00 2.52 N ATOM 762 CA LEU A 48 -7.997 -8.499 -7.057 1.00 1.14 C ATOM 763 C LEU A 48 -7.396 -9.908 -7.284 1.00 32.10 C ATOM 764 O LEU A 48 -6.756 -10.459 -6.378 1.00 51.44 O ATOM 765 CB LEU A 48 -7.035 -7.390 -7.600 1.00 23.12 C ATOM 766 CG LEU A 48 -7.672 -5.965 -7.838 1.00 21.22 C ATOM 767 CD1 LEU A 48 -7.864 -5.184 -6.527 1.00 74.12 C ATOM 768 CD2 LEU A 48 -6.863 -5.151 -8.872 1.00 45.43 C ATOM 0 H LEU A 48 -7.460 -8.383 -5.029 1.00 2.52 H new ATOM 0 HA LEU A 48 -8.932 -8.419 -7.611 1.00 1.14 H new ATOM 0 HB2 LEU A 48 -6.208 -7.282 -6.899 1.00 23.12 H new ATOM 0 HB3 LEU A 48 -6.611 -7.737 -8.542 1.00 23.12 H new ATOM 0 HG LEU A 48 -8.667 -6.129 -8.252 1.00 21.22 H new ATOM 0 HD11 LEU A 48 -8.305 -4.211 -6.744 1.00 74.12 H new ATOM 0 HD12 LEU A 48 -8.525 -5.742 -5.864 1.00 74.12 H new ATOM 0 HD13 LEU A 48 -6.898 -5.044 -6.042 1.00 74.12 H new ATOM 0 HD21 LEU A 48 -7.329 -4.176 -9.012 1.00 45.43 H new ATOM 0 HD22 LEU A 48 -5.843 -5.018 -8.512 1.00 45.43 H new ATOM 0 HD23 LEU A 48 -6.846 -5.685 -9.822 1.00 45.43 H new ATOM 780 N PRO A 49 -7.618 -10.524 -8.490 1.00 21.33 N ATOM 781 CA PRO A 49 -7.030 -11.839 -8.829 1.00 2.13 C ATOM 782 C PRO A 49 -5.507 -11.734 -9.097 1.00 52.32 C ATOM 783 O PRO A 49 -5.099 -11.159 -10.111 1.00 0.11 O ATOM 784 CB PRO A 49 -7.811 -12.254 -10.111 1.00 34.24 C ATOM 785 CG PRO A 49 -8.212 -10.953 -10.751 1.00 62.41 C ATOM 786 CD PRO A 49 -8.466 -9.992 -9.607 1.00 31.20 C ATOM 0 HA PRO A 49 -7.118 -12.566 -8.021 1.00 2.13 H new ATOM 0 HB2 PRO A 49 -7.188 -12.849 -10.779 1.00 34.24 H new ATOM 0 HB3 PRO A 49 -8.683 -12.860 -9.865 1.00 34.24 H new ATOM 0 HG2 PRO A 49 -7.425 -10.581 -11.407 1.00 62.41 H new ATOM 0 HG3 PRO A 49 -9.105 -11.077 -11.363 1.00 62.41 H new ATOM 0 HD2 PRO A 49 -8.184 -8.973 -9.872 1.00 31.20 H new ATOM 0 HD3 PRO A 49 -9.520 -9.969 -9.332 1.00 31.20 H new ATOM 794 N TRP A 50 -4.676 -12.238 -8.157 1.00 21.12 N ATOM 795 CA TRP A 50 -3.223 -12.328 -8.368 1.00 34.40 C ATOM 796 C TRP A 50 -2.930 -13.352 -9.484 1.00 72.14 C ATOM 797 O TRP A 50 -3.250 -14.536 -9.350 1.00 32.13 O ATOM 798 CB TRP A 50 -2.444 -12.700 -7.081 1.00 3.54 C ATOM 799 CG TRP A 50 -0.948 -12.827 -7.344 1.00 14.33 C ATOM 800 CD1 TRP A 50 -0.216 -13.977 -7.492 1.00 52.14 C ATOM 801 CD2 TRP A 50 -0.021 -11.745 -7.549 1.00 25.21 C ATOM 802 NE1 TRP A 50 1.083 -13.672 -7.809 1.00 14.21 N ATOM 803 CE2 TRP A 50 1.230 -12.311 -7.841 1.00 25.33 C ATOM 804 CE3 TRP A 50 -0.134 -10.355 -7.527 1.00 23.24 C ATOM 805 CZ2 TRP A 50 2.360 -11.532 -8.101 1.00 23.32 C ATOM 806 CZ3 TRP A 50 0.988 -9.591 -7.778 1.00 5.13 C ATOM 807 CH2 TRP A 50 2.216 -10.176 -8.067 1.00 45.11 C ATOM 0 H TRP A 50 -4.990 -12.586 -7.251 1.00 21.12 H new ATOM 0 HA TRP A 50 -2.876 -11.338 -8.662 1.00 34.40 H new ATOM 0 HB2 TRP A 50 -2.616 -11.940 -6.319 1.00 3.54 H new ATOM 0 HB3 TRP A 50 -2.825 -13.641 -6.684 1.00 3.54 H new ATOM 0 HD1 TRP A 50 -0.606 -14.978 -7.376 1.00 52.14 H new ATOM 0 HE1 TRP A 50 1.822 -14.351 -7.992 1.00 14.21 H new ATOM 0 HE3 TRP A 50 -1.083 -9.884 -7.317 1.00 23.24 H new ATOM 0 HZ2 TRP A 50 3.314 -11.987 -8.321 1.00 23.32 H new ATOM 0 HZ3 TRP A 50 0.910 -8.514 -7.749 1.00 5.13 H new ATOM 0 HH2 TRP A 50 3.070 -9.546 -8.268 1.00 45.11 H new ATOM 864 N PHE A 54 4.123 -15.346 -7.558 1.00 13.42 N ATOM 865 CA PHE A 54 4.210 -14.206 -6.636 1.00 20.22 C ATOM 866 C PHE A 54 5.669 -13.824 -6.350 1.00 51.02 C ATOM 867 O PHE A 54 6.435 -14.629 -5.821 1.00 23.12 O ATOM 868 CB PHE A 54 3.452 -14.480 -5.314 1.00 61.42 C ATOM 869 CG PHE A 54 3.534 -13.323 -4.326 1.00 42.11 C ATOM 870 CD1 PHE A 54 3.096 -12.048 -4.695 1.00 34.44 C ATOM 871 CD2 PHE A 54 4.065 -13.496 -3.050 1.00 71.25 C ATOM 872 CE1 PHE A 54 3.180 -10.992 -3.827 1.00 73.21 C ATOM 873 CE2 PHE A 54 4.148 -12.435 -2.188 1.00 45.25 C ATOM 874 CZ PHE A 54 3.707 -11.186 -2.582 1.00 52.34 C ATOM 0 HA PHE A 54 3.729 -13.362 -7.130 1.00 20.22 H new ATOM 0 HB2 PHE A 54 2.405 -14.685 -5.538 1.00 61.42 H new ATOM 0 HB3 PHE A 54 3.859 -15.377 -4.848 1.00 61.42 H new ATOM 0 HD1 PHE A 54 2.684 -11.893 -5.681 1.00 34.44 H new ATOM 0 HD2 PHE A 54 4.412 -14.470 -2.739 1.00 71.25 H new ATOM 0 HE1 PHE A 54 2.832 -10.014 -4.125 1.00 73.21 H new ATOM 0 HE2 PHE A 54 4.559 -12.575 -1.199 1.00 45.25 H new ATOM 0 HZ PHE A 54 3.780 -10.354 -1.898 1.00 52.34 H new ATOM 884 N HIS A 55 6.032 -12.577 -6.686 1.00 43.33 N ATOM 885 CA HIS A 55 7.379 -12.041 -6.451 1.00 73.01 C ATOM 886 C HIS A 55 7.298 -10.774 -5.566 1.00 55.32 C ATOM 887 O HIS A 55 7.038 -9.681 -6.081 1.00 75.01 O ATOM 888 CB HIS A 55 8.080 -11.763 -7.810 1.00 72.41 C ATOM 889 CG HIS A 55 8.247 -13.000 -8.666 1.00 2.13 C ATOM 890 ND1 HIS A 55 9.314 -13.860 -8.551 1.00 3.32 N ATOM 891 CD2 HIS A 55 7.461 -13.526 -9.632 1.00 25.22 C ATOM 892 CE1 HIS A 55 9.179 -14.849 -9.411 1.00 1.35 C ATOM 893 NE2 HIS A 55 8.060 -14.672 -10.076 1.00 72.41 N ATOM 0 H HIS A 55 5.398 -11.912 -7.129 1.00 43.33 H new ATOM 0 HA HIS A 55 7.980 -12.775 -5.914 1.00 73.01 H new ATOM 0 HB2 HIS A 55 7.502 -11.023 -8.363 1.00 72.41 H new ATOM 0 HB3 HIS A 55 9.061 -11.326 -7.622 1.00 72.41 H new ATOM 0 HD2 HIS A 55 6.528 -13.115 -9.989 1.00 25.22 H new ATOM 0 HE1 HIS A 55 9.871 -15.667 -9.546 1.00 1.35 H new ATOM 0 HE2 HIS A 55 7.698 -15.288 -10.804 1.00 72.41 H new ATOM 902 N PRO A 56 7.469 -10.914 -4.203 1.00 74.22 N ATOM 903 CA PRO A 56 7.472 -9.760 -3.266 1.00 0.24 C ATOM 904 C PRO A 56 8.786 -8.958 -3.334 1.00 72.05 C ATOM 905 O PRO A 56 8.839 -7.812 -2.894 1.00 53.32 O ATOM 906 CB PRO A 56 7.273 -10.432 -1.888 1.00 35.30 C ATOM 907 CG PRO A 56 7.918 -11.779 -2.035 1.00 32.32 C ATOM 908 CD PRO A 56 7.667 -12.208 -3.473 1.00 33.11 C ATOM 0 HA PRO A 56 6.702 -9.024 -3.497 1.00 0.24 H new ATOM 0 HB2 PRO A 56 7.740 -9.852 -1.092 1.00 35.30 H new ATOM 0 HB3 PRO A 56 6.216 -10.522 -1.639 1.00 35.30 H new ATOM 0 HG2 PRO A 56 8.986 -11.725 -1.824 1.00 32.32 H new ATOM 0 HG3 PRO A 56 7.490 -12.495 -1.334 1.00 32.32 H new ATOM 0 HD2 PRO A 56 8.510 -12.770 -3.876 1.00 33.11 H new ATOM 0 HD3 PRO A 56 6.790 -12.850 -3.552 1.00 33.11 H new ATOM 916 N ASP A 57 9.829 -9.599 -3.882 1.00 44.35 N ATOM 917 CA ASP A 57 11.139 -8.977 -4.159 1.00 53.35 C ATOM 918 C ASP A 57 10.970 -7.899 -5.251 1.00 71.22 C ATOM 919 O ASP A 57 11.384 -6.740 -5.093 1.00 13.22 O ATOM 920 CB ASP A 57 12.142 -10.062 -4.643 1.00 71.45 C ATOM 921 CG ASP A 57 12.243 -11.276 -3.706 1.00 72.03 C ATOM 922 OD1 ASP A 57 11.299 -12.102 -3.691 1.00 43.23 O ATOM 923 OD2 ASP A 57 13.253 -11.423 -2.987 1.00 21.55 O ATOM 0 H ASP A 57 9.788 -10.582 -4.151 1.00 44.35 H new ATOM 0 HA ASP A 57 11.524 -8.516 -3.249 1.00 53.35 H new ATOM 0 HB2 ASP A 57 11.843 -10.404 -5.634 1.00 71.45 H new ATOM 0 HB3 ASP A 57 13.129 -9.611 -4.746 1.00 71.45 H new ATOM 928 N THR A 58 10.294 -8.327 -6.336 1.00 15.12 N ATOM 929 CA THR A 58 9.964 -7.490 -7.493 1.00 23.13 C ATOM 930 C THR A 58 8.940 -6.415 -7.091 1.00 71.41 C ATOM 931 O THR A 58 9.041 -5.269 -7.531 1.00 61.10 O ATOM 932 CB THR A 58 9.399 -8.376 -8.652 1.00 63.11 C ATOM 933 OG1 THR A 58 10.318 -9.451 -8.899 1.00 74.43 O ATOM 934 CG2 THR A 58 9.160 -7.593 -9.962 1.00 25.54 C ATOM 0 H THR A 58 9.958 -9.286 -6.428 1.00 15.12 H new ATOM 0 HA THR A 58 10.870 -6.995 -7.843 1.00 23.13 H new ATOM 0 HB THR A 58 8.426 -8.749 -8.331 1.00 63.11 H new ATOM 0 HG1 THR A 58 9.974 -10.015 -9.623 1.00 74.43 H new ATOM 0 HG21 THR A 58 8.768 -8.268 -10.723 1.00 25.54 H new ATOM 0 HG22 THR A 58 8.442 -6.793 -9.782 1.00 25.54 H new ATOM 0 HG23 THR A 58 10.101 -7.165 -10.307 1.00 25.54 H new ATOM 942 N LEU A 59 7.979 -6.808 -6.220 1.00 64.55 N ATOM 943 CA LEU A 59 6.932 -5.907 -5.711 1.00 12.13 C ATOM 944 C LEU A 59 7.554 -4.768 -4.890 1.00 20.53 C ATOM 945 O LEU A 59 7.317 -3.609 -5.193 1.00 14.22 O ATOM 946 CB LEU A 59 5.879 -6.695 -4.879 1.00 62.14 C ATOM 947 CG LEU A 59 4.650 -5.880 -4.350 1.00 42.32 C ATOM 948 CD1 LEU A 59 3.844 -5.233 -5.494 1.00 74.24 C ATOM 949 CD2 LEU A 59 3.746 -6.759 -3.462 1.00 25.34 C ATOM 0 H LEU A 59 7.913 -7.758 -5.855 1.00 64.55 H new ATOM 0 HA LEU A 59 6.415 -5.464 -6.562 1.00 12.13 H new ATOM 0 HB2 LEU A 59 5.505 -7.515 -5.492 1.00 62.14 H new ATOM 0 HB3 LEU A 59 6.386 -7.141 -4.023 1.00 62.14 H new ATOM 0 HG LEU A 59 5.043 -5.067 -3.739 1.00 42.32 H new ATOM 0 HD11 LEU A 59 3.002 -4.679 -5.078 1.00 74.24 H new ATOM 0 HD12 LEU A 59 4.487 -4.552 -6.052 1.00 74.24 H new ATOM 0 HD13 LEU A 59 3.472 -6.010 -6.162 1.00 74.24 H new ATOM 0 HD21 LEU A 59 2.900 -6.170 -3.108 1.00 25.34 H new ATOM 0 HD22 LEU A 59 3.380 -7.607 -4.042 1.00 25.34 H new ATOM 0 HD23 LEU A 59 4.318 -7.123 -2.608 1.00 25.34 H new ATOM 961 N GLN A 60 8.407 -5.129 -3.903 1.00 4.12 N ATOM 962 CA GLN A 60 9.036 -4.165 -2.976 1.00 15.21 C ATOM 963 C GLN A 60 9.891 -3.136 -3.737 1.00 41.45 C ATOM 964 O GLN A 60 9.752 -1.934 -3.513 1.00 61.05 O ATOM 965 CB GLN A 60 9.909 -4.897 -1.921 1.00 61.35 C ATOM 966 CG GLN A 60 10.574 -3.952 -0.896 1.00 73.21 C ATOM 967 CD GLN A 60 11.461 -4.652 0.141 1.00 64.31 C ATOM 968 OE1 GLN A 60 11.209 -5.788 0.534 1.00 2.13 O ATOM 969 NE2 GLN A 60 12.514 -3.974 0.589 1.00 0.14 N ATOM 0 H GLN A 60 8.677 -6.097 -3.729 1.00 4.12 H new ATOM 0 HA GLN A 60 8.233 -3.637 -2.463 1.00 15.21 H new ATOM 0 HB2 GLN A 60 9.289 -5.618 -1.388 1.00 61.35 H new ATOM 0 HB3 GLN A 60 10.685 -5.463 -2.436 1.00 61.35 H new ATOM 0 HG2 GLN A 60 11.176 -3.220 -1.435 1.00 73.21 H new ATOM 0 HG3 GLN A 60 9.794 -3.399 -0.373 1.00 73.21 H new ATOM 0 HE21 GLN A 60 12.698 -3.032 0.244 1.00 0.14 H new ATOM 0 HE22 GLN A 60 13.137 -4.396 1.277 1.00 0.14 H new ATOM 978 N MET A 61 10.767 -3.627 -4.639 1.00 1.22 N ATOM 979 CA MET A 61 11.661 -2.756 -5.430 1.00 61.42 C ATOM 980 C MET A 61 10.865 -1.835 -6.377 1.00 43.54 C ATOM 981 O MET A 61 11.247 -0.684 -6.577 1.00 3.32 O ATOM 982 CB MET A 61 12.697 -3.585 -6.230 1.00 14.32 C ATOM 983 CG MET A 61 13.778 -4.267 -5.381 1.00 60.33 C ATOM 984 SD MET A 61 14.957 -5.207 -6.394 1.00 1.41 S ATOM 985 CE MET A 61 15.668 -3.937 -7.448 1.00 34.03 C ATOM 0 H MET A 61 10.874 -4.622 -4.837 1.00 1.22 H new ATOM 0 HA MET A 61 12.200 -2.128 -4.721 1.00 61.42 H new ATOM 0 HB2 MET A 61 12.167 -4.349 -6.799 1.00 14.32 H new ATOM 0 HB3 MET A 61 13.184 -2.930 -6.953 1.00 14.32 H new ATOM 0 HG2 MET A 61 14.316 -3.513 -4.807 1.00 60.33 H new ATOM 0 HG3 MET A 61 13.305 -4.936 -4.663 1.00 60.33 H new ATOM 0 HE1 MET A 61 16.584 -4.313 -7.904 1.00 34.03 H new ATOM 0 HE2 MET A 61 14.956 -3.672 -8.230 1.00 34.03 H new ATOM 0 HE3 MET A 61 15.896 -3.054 -6.851 1.00 34.03 H new ATOM 995 N ALA A 62 9.749 -2.352 -6.933 1.00 1.34 N ATOM 996 CA ALA A 62 8.865 -1.583 -7.834 1.00 63.41 C ATOM 997 C ALA A 62 8.187 -0.440 -7.059 1.00 34.14 C ATOM 998 O ALA A 62 8.102 0.691 -7.556 1.00 32.01 O ATOM 999 CB ALA A 62 7.828 -2.510 -8.485 1.00 51.11 C ATOM 0 H ALA A 62 9.437 -3.309 -6.771 1.00 1.34 H new ATOM 0 HA ALA A 62 9.464 -1.143 -8.631 1.00 63.41 H new ATOM 0 HB1 ALA A 62 7.184 -1.929 -9.146 1.00 51.11 H new ATOM 0 HB2 ALA A 62 8.340 -3.280 -9.062 1.00 51.11 H new ATOM 0 HB3 ALA A 62 7.223 -2.980 -7.710 1.00 51.11 H new ATOM 1005 N LEU A 63 7.754 -0.760 -5.816 1.00 15.42 N ATOM 1006 CA LEU A 63 7.160 0.204 -4.873 1.00 31.21 C ATOM 1007 C LEU A 63 8.148 1.354 -4.604 1.00 60.23 C ATOM 1008 O LEU A 63 7.770 2.510 -4.669 1.00 12.33 O ATOM 1009 CB LEU A 63 6.743 -0.518 -3.555 1.00 4.11 C ATOM 1010 CG LEU A 63 5.580 -1.550 -3.690 1.00 55.04 C ATOM 1011 CD1 LEU A 63 5.466 -2.442 -2.444 1.00 1.43 C ATOM 1012 CD2 LEU A 63 4.237 -0.862 -4.011 1.00 12.55 C ATOM 0 H LEU A 63 7.810 -1.707 -5.441 1.00 15.42 H new ATOM 0 HA LEU A 63 6.260 0.633 -5.313 1.00 31.21 H new ATOM 0 HB2 LEU A 63 7.616 -1.032 -3.152 1.00 4.11 H new ATOM 0 HB3 LEU A 63 6.452 0.237 -2.825 1.00 4.11 H new ATOM 0 HG LEU A 63 5.824 -2.195 -4.534 1.00 55.04 H new ATOM 0 HD11 LEU A 63 4.645 -3.147 -2.575 1.00 1.43 H new ATOM 0 HD12 LEU A 63 6.397 -2.991 -2.303 1.00 1.43 H new ATOM 0 HD13 LEU A 63 5.274 -1.821 -1.569 1.00 1.43 H new ATOM 0 HD21 LEU A 63 3.454 -1.615 -4.097 1.00 12.55 H new ATOM 0 HD22 LEU A 63 3.985 -0.166 -3.211 1.00 12.55 H new ATOM 0 HD23 LEU A 63 4.322 -0.318 -4.952 1.00 12.55 H new ATOM 1024 N GLN A 64 9.421 1.008 -4.345 1.00 41.41 N ATOM 1025 CA GLN A 64 10.521 1.989 -4.161 1.00 43.31 C ATOM 1026 C GLN A 64 10.646 2.954 -5.370 1.00 32.40 C ATOM 1027 O GLN A 64 10.832 4.167 -5.182 1.00 32.13 O ATOM 1028 CB GLN A 64 11.863 1.240 -3.929 1.00 33.24 C ATOM 1029 CG GLN A 64 11.868 0.327 -2.687 1.00 25.31 C ATOM 1030 CD GLN A 64 13.112 -0.566 -2.582 1.00 33.00 C ATOM 1031 OE1 GLN A 64 14.206 -0.197 -3.007 1.00 21.22 O ATOM 1032 NE2 GLN A 64 12.951 -1.757 -2.024 1.00 41.35 N ATOM 0 H GLN A 64 9.724 0.038 -4.256 1.00 41.41 H new ATOM 0 HA GLN A 64 10.285 2.594 -3.285 1.00 43.31 H new ATOM 0 HB2 GLN A 64 12.088 0.638 -4.810 1.00 33.24 H new ATOM 0 HB3 GLN A 64 12.664 1.973 -3.831 1.00 33.24 H new ATOM 0 HG2 GLN A 64 11.799 0.946 -1.792 1.00 25.31 H new ATOM 0 HG3 GLN A 64 10.979 -0.304 -2.707 1.00 25.31 H new ATOM 0 HE21 GLN A 64 12.033 -2.039 -1.679 1.00 41.35 H new ATOM 0 HE22 GLN A 64 13.745 -2.392 -1.939 1.00 41.35 H new ATOM 1041 N VAL A 65 10.514 2.413 -6.612 1.00 40.33 N ATOM 1042 CA VAL A 65 10.631 3.207 -7.866 1.00 61.44 C ATOM 1043 C VAL A 65 9.426 4.165 -8.035 1.00 41.43 C ATOM 1044 O VAL A 65 9.553 5.232 -8.646 1.00 4.22 O ATOM 1045 CB VAL A 65 10.771 2.262 -9.132 1.00 3.45 C ATOM 1046 CG1 VAL A 65 10.909 3.061 -10.456 1.00 72.41 C ATOM 1047 CG2 VAL A 65 11.969 1.300 -8.964 1.00 74.54 C ATOM 0 H VAL A 65 10.325 1.423 -6.771 1.00 40.33 H new ATOM 0 HA VAL A 65 11.537 3.809 -7.789 1.00 61.44 H new ATOM 0 HB VAL A 65 9.850 1.683 -9.196 1.00 3.45 H new ATOM 0 HG11 VAL A 65 11.002 2.367 -11.292 1.00 72.41 H new ATOM 0 HG12 VAL A 65 10.026 3.685 -10.598 1.00 72.41 H new ATOM 0 HG13 VAL A 65 11.796 3.693 -10.409 1.00 72.41 H new ATOM 0 HG21 VAL A 65 12.048 0.660 -9.843 1.00 74.54 H new ATOM 0 HG22 VAL A 65 12.887 1.878 -8.852 1.00 74.54 H new ATOM 0 HG23 VAL A 65 11.819 0.683 -8.078 1.00 74.54 H new ATOM 1057 N VAL A 66 8.260 3.788 -7.471 1.00 11.24 N ATOM 1058 CA VAL A 66 7.042 4.641 -7.483 1.00 15.44 C ATOM 1059 C VAL A 66 6.853 5.343 -6.111 1.00 51.25 C ATOM 1060 O VAL A 66 5.755 5.812 -5.786 1.00 32.41 O ATOM 1061 CB VAL A 66 5.751 3.827 -7.894 1.00 74.01 C ATOM 1062 CG1 VAL A 66 5.895 3.252 -9.318 1.00 71.01 C ATOM 1063 CG2 VAL A 66 5.427 2.711 -6.887 1.00 62.41 C ATOM 0 H VAL A 66 8.131 2.894 -6.998 1.00 11.24 H new ATOM 0 HA VAL A 66 7.186 5.408 -8.244 1.00 15.44 H new ATOM 0 HB VAL A 66 4.914 4.525 -7.884 1.00 74.01 H new ATOM 0 HG11 VAL A 66 4.994 2.696 -9.579 1.00 71.01 H new ATOM 0 HG12 VAL A 66 6.036 4.068 -10.027 1.00 71.01 H new ATOM 0 HG13 VAL A 66 6.757 2.585 -9.356 1.00 71.01 H new ATOM 0 HG21 VAL A 66 4.533 2.178 -7.210 1.00 62.41 H new ATOM 0 HG22 VAL A 66 6.264 2.015 -6.833 1.00 62.41 H new ATOM 0 HG23 VAL A 66 5.254 3.147 -5.903 1.00 62.41 H new ATOM 1073 N ASN A 67 7.958 5.404 -5.327 1.00 24.10 N ATOM 1074 CA ASN A 67 8.080 6.217 -4.089 1.00 41.34 C ATOM 1075 C ASN A 67 7.079 5.772 -2.977 1.00 74.24 C ATOM 1076 O ASN A 67 6.726 6.544 -2.086 1.00 41.03 O ATOM 1077 CB ASN A 67 7.948 7.733 -4.462 1.00 41.22 C ATOM 1078 CG ASN A 67 8.401 8.706 -3.372 1.00 15.24 C ATOM 1079 OD1 ASN A 67 7.602 9.174 -2.576 1.00 51.12 O ATOM 1080 ND2 ASN A 67 9.685 9.029 -3.339 1.00 34.43 N ATOM 0 H ASN A 67 8.806 4.880 -5.541 1.00 24.10 H new ATOM 0 HA ASN A 67 9.065 6.052 -3.652 1.00 41.34 H new ATOM 0 HB2 ASN A 67 8.531 7.923 -5.363 1.00 41.22 H new ATOM 0 HB3 ASN A 67 6.907 7.943 -4.706 1.00 41.22 H new ATOM 0 HD21 ASN A 67 10.028 9.684 -2.636 1.00 34.43 H new ATOM 0 HD22 ASN A 67 10.331 8.623 -4.016 1.00 34.43 H new ATOM 1087 N ILE A 68 6.675 4.497 -3.014 1.00 64.15 N ATOM 1088 CA ILE A 68 5.884 3.858 -1.949 1.00 73.41 C ATOM 1089 C ILE A 68 6.862 3.206 -0.959 1.00 71.12 C ATOM 1090 O ILE A 68 7.623 2.303 -1.333 1.00 40.05 O ATOM 1091 CB ILE A 68 4.904 2.749 -2.503 1.00 32.05 C ATOM 1092 CG1 ILE A 68 3.999 3.307 -3.640 1.00 15.13 C ATOM 1093 CG2 ILE A 68 4.046 2.129 -1.367 1.00 24.03 C ATOM 1094 CD1 ILE A 68 3.069 4.424 -3.233 1.00 52.55 C ATOM 0 H ILE A 68 6.889 3.871 -3.791 1.00 64.15 H new ATOM 0 HA ILE A 68 5.271 4.624 -1.473 1.00 73.41 H new ATOM 0 HB ILE A 68 5.521 1.956 -2.925 1.00 32.05 H new ATOM 0 HG12 ILE A 68 4.637 3.664 -4.448 1.00 15.13 H new ATOM 0 HG13 ILE A 68 3.403 2.488 -4.043 1.00 15.13 H new ATOM 0 HG21 ILE A 68 3.384 1.370 -1.784 1.00 24.03 H new ATOM 0 HG22 ILE A 68 4.700 1.671 -0.625 1.00 24.03 H new ATOM 0 HG23 ILE A 68 3.451 2.910 -0.893 1.00 24.03 H new ATOM 0 HD11 ILE A 68 2.483 4.742 -4.095 1.00 52.55 H new ATOM 0 HD12 ILE A 68 2.399 4.072 -2.449 1.00 52.55 H new ATOM 0 HD13 ILE A 68 3.653 5.266 -2.861 1.00 52.55 H new ATOM 1106 N GLN A 69 6.865 3.705 0.277 1.00 45.43 N ATOM 1107 CA GLN A 69 7.617 3.115 1.388 1.00 35.22 C ATOM 1108 C GLN A 69 6.986 1.763 1.780 1.00 52.33 C ATOM 1109 O GLN A 69 5.771 1.677 1.942 1.00 5.43 O ATOM 1110 CB GLN A 69 7.587 4.093 2.592 1.00 24.33 C ATOM 1111 CG GLN A 69 8.180 3.527 3.897 1.00 21.41 C ATOM 1112 CD GLN A 69 8.061 4.473 5.086 1.00 22.01 C ATOM 1113 OE1 GLN A 69 7.162 5.312 5.155 1.00 54.34 O ATOM 1114 NE2 GLN A 69 8.942 4.312 6.056 1.00 63.22 N ATOM 0 H GLN A 69 6.340 4.539 0.539 1.00 45.43 H new ATOM 0 HA GLN A 69 8.651 2.943 1.089 1.00 35.22 H new ATOM 0 HB2 GLN A 69 8.134 4.996 2.322 1.00 24.33 H new ATOM 0 HB3 GLN A 69 6.554 4.389 2.777 1.00 24.33 H new ATOM 0 HG2 GLN A 69 7.677 2.590 4.138 1.00 21.41 H new ATOM 0 HG3 GLN A 69 9.232 3.292 3.735 1.00 21.41 H new ATOM 0 HE21 GLN A 69 9.675 3.608 5.968 1.00 63.22 H new ATOM 0 HE22 GLN A 69 8.890 4.892 6.894 1.00 63.22 H new ATOM 1123 N THR A 70 7.809 0.715 1.913 1.00 52.30 N ATOM 1124 CA THR A 70 7.348 -0.601 2.395 1.00 2.43 C ATOM 1125 C THR A 70 7.711 -0.734 3.889 1.00 62.12 C ATOM 1126 O THR A 70 8.880 -0.953 4.230 1.00 25.42 O ATOM 1127 CB THR A 70 7.962 -1.768 1.547 1.00 50.40 C ATOM 1128 OG1 THR A 70 7.698 -1.543 0.147 1.00 32.25 O ATOM 1129 CG2 THR A 70 7.396 -3.148 1.952 1.00 61.54 C ATOM 0 H THR A 70 8.804 0.750 1.693 1.00 52.30 H new ATOM 0 HA THR A 70 6.266 -0.672 2.279 1.00 2.43 H new ATOM 0 HB THR A 70 9.035 -1.777 1.738 1.00 50.40 H new ATOM 0 HG1 THR A 70 7.787 -2.387 -0.343 1.00 32.25 H new ATOM 0 HG21 THR A 70 7.852 -3.923 1.336 1.00 61.54 H new ATOM 0 HG22 THR A 70 7.620 -3.339 3.001 1.00 61.54 H new ATOM 0 HG23 THR A 70 6.316 -3.156 1.804 1.00 61.54 H new ATOM 1137 N ILE A 71 6.696 -0.565 4.766 1.00 0.32 N ATOM 1138 CA ILE A 71 6.852 -0.604 6.241 1.00 2.45 C ATOM 1139 C ILE A 71 7.121 -2.058 6.686 1.00 64.35 C ATOM 1140 O ILE A 71 8.049 -2.329 7.454 1.00 75.23 O ATOM 1141 CB ILE A 71 5.551 -0.037 6.958 1.00 2.40 C ATOM 1142 CG1 ILE A 71 5.257 1.439 6.520 1.00 34.14 C ATOM 1143 CG2 ILE A 71 5.626 -0.147 8.512 1.00 35.43 C ATOM 1144 CD1 ILE A 71 6.130 2.498 7.170 1.00 43.22 C ATOM 0 H ILE A 71 5.735 -0.396 4.468 1.00 0.32 H new ATOM 0 HA ILE A 71 7.695 0.025 6.528 1.00 2.45 H new ATOM 0 HB ILE A 71 4.722 -0.666 6.633 1.00 2.40 H new ATOM 0 HG12 ILE A 71 5.374 1.509 5.439 1.00 34.14 H new ATOM 0 HG13 ILE A 71 4.214 1.665 6.743 1.00 34.14 H new ATOM 0 HG21 ILE A 71 4.712 0.255 8.950 1.00 35.43 H new ATOM 0 HG22 ILE A 71 5.736 -1.193 8.798 1.00 35.43 H new ATOM 0 HG23 ILE A 71 6.482 0.421 8.876 1.00 35.43 H new ATOM 0 HD11 ILE A 71 5.845 3.482 6.799 1.00 43.22 H new ATOM 0 HD12 ILE A 71 5.997 2.466 8.251 1.00 43.22 H new ATOM 0 HD13 ILE A 71 7.175 2.307 6.927 1.00 43.22 H new ATOM 1156 N ALA A 72 6.290 -2.985 6.177 1.00 44.20 N ATOM 1157 CA ALA A 72 6.422 -4.432 6.415 1.00 24.22 C ATOM 1158 C ALA A 72 6.086 -5.211 5.132 1.00 24.14 C ATOM 1159 O ALA A 72 5.340 -4.718 4.277 1.00 72.44 O ATOM 1160 CB ALA A 72 5.500 -4.877 7.565 1.00 62.41 C ATOM 0 H ALA A 72 5.498 -2.746 5.581 1.00 44.20 H new ATOM 0 HA ALA A 72 7.453 -4.645 6.698 1.00 24.22 H new ATOM 0 HB1 ALA A 72 5.611 -5.949 7.726 1.00 62.41 H new ATOM 0 HB2 ALA A 72 5.771 -4.343 8.476 1.00 62.41 H new ATOM 0 HB3 ALA A 72 4.464 -4.654 7.308 1.00 62.41 H new ATOM 1166 N MET A 73 6.675 -6.408 5.001 1.00 60.43 N ATOM 1167 CA MET A 73 6.371 -7.377 3.933 1.00 62.41 C ATOM 1168 C MET A 73 6.795 -8.778 4.413 1.00 32.44 C ATOM 1169 O MET A 73 7.920 -8.945 4.897 1.00 64.21 O ATOM 1170 CB MET A 73 7.090 -6.990 2.603 1.00 73.41 C ATOM 1171 CG MET A 73 6.833 -7.947 1.419 1.00 4.03 C ATOM 1172 SD MET A 73 7.383 -7.296 -0.178 1.00 43.21 S ATOM 1173 CE MET A 73 6.263 -5.916 -0.449 1.00 40.02 C ATOM 0 H MET A 73 7.392 -6.739 5.647 1.00 60.43 H new ATOM 0 HA MET A 73 5.301 -7.372 3.724 1.00 62.41 H new ATOM 0 HB2 MET A 73 6.774 -5.987 2.315 1.00 73.41 H new ATOM 0 HB3 MET A 73 8.163 -6.945 2.788 1.00 73.41 H new ATOM 0 HG2 MET A 73 7.342 -8.892 1.610 1.00 4.03 H new ATOM 0 HG3 MET A 73 5.766 -8.165 1.364 1.00 4.03 H new ATOM 0 HE1 MET A 73 5.873 -5.958 -1.466 1.00 40.02 H new ATOM 0 HE2 MET A 73 5.437 -5.974 0.259 1.00 40.02 H new ATOM 0 HE3 MET A 73 6.800 -4.978 -0.305 1.00 40.02 H new ATOM 1183 N SER A 74 5.889 -9.771 4.300 1.00 13.35 N ATOM 1184 CA SER A 74 6.163 -11.169 4.695 1.00 2.24 C ATOM 1185 C SER A 74 6.988 -11.879 3.596 1.00 31.21 C ATOM 1186 O SER A 74 7.151 -11.338 2.491 1.00 12.42 O ATOM 1187 CB SER A 74 4.832 -11.909 4.965 1.00 70.12 C ATOM 1188 OG SER A 74 4.022 -11.199 5.890 1.00 23.25 O ATOM 0 H SER A 74 4.948 -9.627 3.933 1.00 13.35 H new ATOM 0 HA SER A 74 6.749 -11.178 5.614 1.00 2.24 H new ATOM 0 HB2 SER A 74 4.289 -12.038 4.028 1.00 70.12 H new ATOM 0 HB3 SER A 74 5.041 -12.906 5.353 1.00 70.12 H new ATOM 0 HG SER A 74 3.683 -10.382 5.468 1.00 23.25 H new ATOM 1194 N ARG A 75 7.479 -13.091 3.895 1.00 14.45 N ATOM 1195 CA ARG A 75 8.391 -13.823 2.993 1.00 75.14 C ATOM 1196 C ARG A 75 7.624 -14.492 1.825 1.00 11.50 C ATOM 1197 O ARG A 75 6.414 -14.773 1.917 1.00 63.15 O ATOM 1198 CB ARG A 75 9.239 -14.894 3.755 1.00 35.34 C ATOM 1199 CG ARG A 75 10.437 -14.370 4.604 1.00 75.54 C ATOM 1200 CD ARG A 75 10.076 -13.907 6.032 1.00 73.43 C ATOM 1201 NE ARG A 75 9.441 -12.582 6.087 1.00 0.55 N ATOM 1202 CZ ARG A 75 8.948 -12.022 7.213 1.00 5.01 C ATOM 1203 NH1 ARG A 75 9.002 -12.666 8.387 1.00 21.00 N ATOM 1204 NH2 ARG A 75 8.434 -10.802 7.175 1.00 72.13 N ATOM 0 H ARG A 75 7.261 -13.590 4.758 1.00 14.45 H new ATOM 0 HA ARG A 75 9.074 -13.080 2.581 1.00 75.14 H new ATOM 0 HB2 ARG A 75 8.572 -15.448 4.415 1.00 35.34 H new ATOM 0 HB3 ARG A 75 9.626 -15.604 3.024 1.00 35.34 H new ATOM 0 HG2 ARG A 75 11.186 -15.159 4.673 1.00 75.54 H new ATOM 0 HG3 ARG A 75 10.900 -13.537 4.075 1.00 75.54 H new ATOM 0 HD2 ARG A 75 9.405 -14.639 6.482 1.00 73.43 H new ATOM 0 HD3 ARG A 75 10.982 -13.890 6.638 1.00 73.43 H new ATOM 0 HE ARG A 75 9.368 -12.051 5.219 1.00 0.55 H new ATOM 0 HH11 ARG A 75 9.421 -13.595 8.440 1.00 21.00 H new ATOM 0 HH12 ARG A 75 8.625 -12.227 9.227 1.00 21.00 H new ATOM 0 HH21 ARG A 75 8.411 -10.286 6.296 1.00 72.13 H new ATOM 0 HH22 ARG A 75 8.062 -10.379 8.025 1.00 72.13 H new ATOM 1218 N ALA A 76 8.360 -14.742 0.735 1.00 14.23 N ATOM 1219 CA ALA A 76 7.872 -15.518 -0.409 1.00 25.02 C ATOM 1220 C ALA A 76 7.649 -16.973 0.032 1.00 13.15 C ATOM 1221 O ALA A 76 8.582 -17.612 0.546 1.00 74.42 O ATOM 1222 CB ALA A 76 8.890 -15.450 -1.565 1.00 3.20 C ATOM 0 H ALA A 76 9.317 -14.409 0.623 1.00 14.23 H new ATOM 0 HA ALA A 76 6.928 -15.102 -0.762 1.00 25.02 H new ATOM 0 HB1 ALA A 76 8.519 -16.029 -2.411 1.00 3.20 H new ATOM 0 HB2 ALA A 76 9.027 -14.412 -1.868 1.00 3.20 H new ATOM 0 HB3 ALA A 76 9.844 -15.861 -1.234 1.00 3.20 H new ATOM 1228 N GLY A 77 6.428 -17.484 -0.171 1.00 55.53 N ATOM 1229 CA GLY A 77 6.051 -18.831 0.262 1.00 21.45 C ATOM 1230 C GLY A 77 5.224 -18.854 1.544 1.00 64.50 C ATOM 1231 O GLY A 77 4.550 -19.858 1.813 1.00 44.55 O ATOM 0 H GLY A 77 5.678 -16.975 -0.639 1.00 55.53 H new ATOM 0 HA2 GLY A 77 5.484 -19.314 -0.534 1.00 21.45 H new ATOM 0 HA3 GLY A 77 6.955 -19.421 0.413 1.00 21.45 H new ATOM 1235 N SER A 78 5.273 -17.772 2.368 1.00 23.41 N ATOM 1236 CA SER A 78 4.433 -17.688 3.581 1.00 71.31 C ATOM 1237 C SER A 78 3.101 -17.019 3.214 1.00 50.55 C ATOM 1238 O SER A 78 3.077 -15.846 2.812 1.00 35.00 O ATOM 1239 CB SER A 78 5.160 -16.911 4.713 1.00 15.32 C ATOM 1240 OG SER A 78 5.556 -15.614 4.310 1.00 1.44 O ATOM 0 H SER A 78 5.875 -16.963 2.214 1.00 23.41 H new ATOM 0 HA SER A 78 4.240 -18.692 3.959 1.00 71.31 H new ATOM 0 HB2 SER A 78 4.501 -16.834 5.578 1.00 15.32 H new ATOM 0 HB3 SER A 78 6.038 -17.474 5.030 1.00 15.32 H new ATOM 0 HG SER A 78 6.039 -15.669 3.459 1.00 1.44 H new ATOM 1246 N ARG A 79 1.995 -17.777 3.345 1.00 65.21 N ATOM 1247 CA ARG A 79 0.628 -17.291 3.053 1.00 70.43 C ATOM 1248 C ARG A 79 -0.346 -17.718 4.186 1.00 41.23 C ATOM 1249 O ARG A 79 -0.190 -18.823 4.723 1.00 12.45 O ATOM 1250 CB ARG A 79 0.123 -17.778 1.660 1.00 11.42 C ATOM 1251 CG ARG A 79 0.962 -17.297 0.445 1.00 21.21 C ATOM 1252 CD ARG A 79 0.356 -17.732 -0.898 1.00 53.54 C ATOM 1253 NE ARG A 79 1.251 -17.498 -2.038 1.00 72.11 N ATOM 1254 CZ ARG A 79 0.873 -17.532 -3.329 1.00 74.21 C ATOM 1255 NH1 ARG A 79 -0.396 -17.783 -3.672 1.00 24.25 N ATOM 1256 NH2 ARG A 79 1.781 -17.354 -4.279 1.00 30.52 N ATOM 0 H ARG A 79 2.022 -18.748 3.657 1.00 65.21 H new ATOM 0 HA ARG A 79 0.660 -16.202 3.013 1.00 70.43 H new ATOM 0 HB2 ARG A 79 0.105 -18.868 1.659 1.00 11.42 H new ATOM 0 HB3 ARG A 79 -0.905 -17.442 1.527 1.00 11.42 H new ATOM 0 HG2 ARG A 79 1.041 -16.210 0.469 1.00 21.21 H new ATOM 0 HG3 ARG A 79 1.975 -17.692 0.528 1.00 21.21 H new ATOM 0 HD2 ARG A 79 0.107 -18.792 -0.851 1.00 53.54 H new ATOM 0 HD3 ARG A 79 -0.577 -17.193 -1.060 1.00 53.54 H new ATOM 0 HE ARG A 79 2.230 -17.295 -1.837 1.00 72.11 H new ATOM 0 HH11 ARG A 79 -1.096 -17.953 -2.949 1.00 24.25 H new ATOM 0 HH12 ARG A 79 -0.664 -17.805 -4.656 1.00 24.25 H new ATOM 0 HH21 ARG A 79 2.757 -17.193 -4.028 1.00 30.52 H new ATOM 0 HH22 ARG A 79 1.504 -17.378 -5.260 1.00 30.52 H new ATOM 1270 N PRO A 80 -1.373 -16.877 4.599 1.00 44.34 N ATOM 1271 CA PRO A 80 -1.696 -15.534 4.019 1.00 3.12 C ATOM 1272 C PRO A 80 -0.572 -14.483 4.221 1.00 54.14 C ATOM 1273 O PRO A 80 -0.247 -14.099 5.350 1.00 3.20 O ATOM 1274 CB PRO A 80 -3.001 -15.122 4.756 1.00 11.40 C ATOM 1275 CG PRO A 80 -2.965 -15.892 6.040 1.00 34.14 C ATOM 1276 CD PRO A 80 -2.334 -17.218 5.684 1.00 72.24 C ATOM 0 HA PRO A 80 -1.806 -15.584 2.936 1.00 3.12 H new ATOM 0 HB2 PRO A 80 -3.032 -14.048 4.938 1.00 11.40 H new ATOM 0 HB3 PRO A 80 -3.884 -15.371 4.168 1.00 11.40 H new ATOM 0 HG2 PRO A 80 -2.382 -15.368 6.798 1.00 34.14 H new ATOM 0 HG3 PRO A 80 -3.967 -16.028 6.447 1.00 34.14 H new ATOM 0 HD2 PRO A 80 -1.828 -17.663 6.541 1.00 72.24 H new ATOM 0 HD3 PRO A 80 -3.080 -17.937 5.346 1.00 72.24 H new ATOM 1284 N TRP A 81 0.048 -14.108 3.091 1.00 61.45 N ATOM 1285 CA TRP A 81 1.122 -13.116 3.021 1.00 41.43 C ATOM 1286 C TRP A 81 0.577 -11.737 3.419 1.00 4.51 C ATOM 1287 O TRP A 81 -0.484 -11.342 2.948 1.00 53.40 O ATOM 1288 CB TRP A 81 1.695 -13.105 1.574 1.00 15.05 C ATOM 1289 CG TRP A 81 2.659 -11.977 1.287 1.00 23.04 C ATOM 1290 CD1 TRP A 81 3.995 -11.932 1.557 1.00 2.10 C ATOM 1291 CD2 TRP A 81 2.340 -10.741 0.644 1.00 2.12 C ATOM 1292 NE1 TRP A 81 4.518 -10.729 1.152 1.00 13.11 N ATOM 1293 CE2 TRP A 81 3.523 -9.982 0.580 1.00 64.25 C ATOM 1294 CE3 TRP A 81 1.167 -10.212 0.116 1.00 23.11 C ATOM 1295 CZ2 TRP A 81 3.560 -8.722 0.003 1.00 50.23 C ATOM 1296 CZ3 TRP A 81 1.203 -8.967 -0.446 1.00 25.35 C ATOM 1297 CH2 TRP A 81 2.390 -8.230 -0.501 1.00 62.03 C ATOM 0 H TRP A 81 -0.193 -14.499 2.180 1.00 61.45 H new ATOM 0 HA TRP A 81 1.924 -13.369 3.714 1.00 41.43 H new ATOM 0 HB2 TRP A 81 2.201 -14.053 1.390 1.00 15.05 H new ATOM 0 HB3 TRP A 81 0.866 -13.045 0.869 1.00 15.05 H new ATOM 0 HD1 TRP A 81 4.559 -12.727 2.022 1.00 2.10 H new ATOM 0 HE1 TRP A 81 5.490 -10.439 1.260 1.00 13.11 H new ATOM 0 HE3 TRP A 81 0.246 -10.774 0.150 1.00 23.11 H new ATOM 0 HZ2 TRP A 81 4.477 -8.153 -0.046 1.00 50.23 H new ATOM 0 HZ3 TRP A 81 0.297 -8.544 -0.855 1.00 25.35 H new ATOM 0 HH2 TRP A 81 2.381 -7.249 -0.953 1.00 62.03 H new ATOM 1308 N LYS A 82 1.285 -11.028 4.308 1.00 50.11 N ATOM 1309 CA LYS A 82 0.918 -9.662 4.731 1.00 13.24 C ATOM 1310 C LYS A 82 1.964 -8.648 4.228 1.00 71.43 C ATOM 1311 O LYS A 82 3.128 -9.001 4.049 1.00 31.12 O ATOM 1312 CB LYS A 82 0.847 -9.635 6.282 1.00 55.21 C ATOM 1313 CG LYS A 82 0.370 -8.303 6.909 1.00 24.12 C ATOM 1314 CD LYS A 82 -1.111 -7.977 6.606 1.00 61.44 C ATOM 1315 CE LYS A 82 -2.089 -9.033 7.162 1.00 5.32 C ATOM 1316 NZ LYS A 82 -3.513 -8.617 7.002 1.00 14.12 N ATOM 0 H LYS A 82 2.130 -11.382 4.757 1.00 50.11 H new ATOM 0 HA LYS A 82 -0.048 -9.388 4.308 1.00 13.24 H new ATOM 0 HB2 LYS A 82 0.178 -10.430 6.611 1.00 55.21 H new ATOM 0 HB3 LYS A 82 1.836 -9.867 6.677 1.00 55.21 H new ATOM 0 HG2 LYS A 82 0.511 -8.347 7.989 1.00 24.12 H new ATOM 0 HG3 LYS A 82 0.996 -7.491 6.539 1.00 24.12 H new ATOM 0 HD2 LYS A 82 -1.357 -7.004 7.031 1.00 61.44 H new ATOM 0 HD3 LYS A 82 -1.246 -7.898 5.527 1.00 61.44 H new ATOM 0 HE2 LYS A 82 -1.929 -9.981 6.649 1.00 5.32 H new ATOM 0 HE3 LYS A 82 -1.877 -9.202 8.218 1.00 5.32 H new ATOM 0 HZ1 LYS A 82 -4.133 -9.439 7.147 1.00 14.12 H new ATOM 0 HZ2 LYS A 82 -3.741 -7.883 7.703 1.00 14.12 H new ATOM 0 HZ3 LYS A 82 -3.658 -8.238 6.044 1.00 14.12 H new ATOM 1330 N ALA A 83 1.528 -7.407 3.978 1.00 34.55 N ATOM 1331 CA ALA A 83 2.422 -6.255 3.776 1.00 1.24 C ATOM 1332 C ALA A 83 1.730 -4.977 4.242 1.00 5.04 C ATOM 1333 O ALA A 83 0.507 -4.850 4.150 1.00 21.40 O ATOM 1334 CB ALA A 83 2.837 -6.113 2.309 1.00 42.32 C ATOM 0 H ALA A 83 0.538 -7.170 3.909 1.00 34.55 H new ATOM 0 HA ALA A 83 3.324 -6.424 4.365 1.00 1.24 H new ATOM 0 HB1 ALA A 83 3.496 -5.252 2.199 1.00 42.32 H new ATOM 0 HB2 ALA A 83 3.361 -7.014 1.990 1.00 42.32 H new ATOM 0 HB3 ALA A 83 1.950 -5.971 1.692 1.00 42.32 H new ATOM 1340 N TYR A 84 2.532 -4.047 4.769 1.00 62.43 N ATOM 1341 CA TYR A 84 2.101 -2.692 5.121 1.00 33.11 C ATOM 1342 C TYR A 84 2.944 -1.670 4.351 1.00 51.32 C ATOM 1343 O TYR A 84 4.170 -1.718 4.385 1.00 32.52 O ATOM 1344 CB TYR A 84 2.198 -2.490 6.652 1.00 62.30 C ATOM 1345 CG TYR A 84 1.066 -3.199 7.400 1.00 61.32 C ATOM 1346 CD1 TYR A 84 -0.234 -2.677 7.377 1.00 54.42 C ATOM 1347 CD2 TYR A 84 1.275 -4.389 8.093 1.00 4.43 C ATOM 1348 CE1 TYR A 84 -1.270 -3.308 8.023 1.00 70.33 C ATOM 1349 CE2 TYR A 84 0.234 -5.022 8.744 1.00 44.01 C ATOM 1350 CZ TYR A 84 -1.036 -4.479 8.702 1.00 10.21 C ATOM 1351 OH TYR A 84 -2.081 -5.112 9.341 1.00 24.32 O ATOM 0 H TYR A 84 3.518 -4.219 4.966 1.00 62.43 H new ATOM 0 HA TYR A 84 1.059 -2.545 4.838 1.00 33.11 H new ATOM 0 HB2 TYR A 84 3.158 -2.866 7.007 1.00 62.30 H new ATOM 0 HB3 TYR A 84 2.170 -1.424 6.879 1.00 62.30 H new ATOM 0 HD1 TYR A 84 -0.426 -1.760 6.840 1.00 54.42 H new ATOM 0 HD2 TYR A 84 2.264 -4.822 8.122 1.00 4.43 H new ATOM 0 HE1 TYR A 84 -2.263 -2.885 7.997 1.00 70.33 H new ATOM 0 HE2 TYR A 84 0.412 -5.940 9.285 1.00 44.01 H new ATOM 0 HH TYR A 84 -2.805 -5.276 8.701 1.00 24.32 H new ATOM 1361 N LEU A 85 2.258 -0.791 3.613 1.00 1.35 N ATOM 1362 CA LEU A 85 2.866 0.241 2.755 1.00 25.23 C ATOM 1363 C LEU A 85 2.425 1.628 3.229 1.00 21.42 C ATOM 1364 O LEU A 85 1.353 1.770 3.804 1.00 75.20 O ATOM 1365 CB LEU A 85 2.408 0.044 1.286 1.00 42.43 C ATOM 1366 CG LEU A 85 2.597 -1.370 0.660 1.00 22.33 C ATOM 1367 CD1 LEU A 85 2.147 -1.377 -0.814 1.00 65.11 C ATOM 1368 CD2 LEU A 85 4.043 -1.868 0.813 1.00 42.13 C ATOM 0 H LEU A 85 1.238 -0.774 3.593 1.00 1.35 H new ATOM 0 HA LEU A 85 3.951 0.155 2.815 1.00 25.23 H new ATOM 0 HB2 LEU A 85 1.350 0.301 1.226 1.00 42.43 H new ATOM 0 HB3 LEU A 85 2.946 0.761 0.666 1.00 42.43 H new ATOM 0 HG LEU A 85 1.962 -2.067 1.208 1.00 22.33 H new ATOM 0 HD11 LEU A 85 2.287 -2.374 -1.232 1.00 65.11 H new ATOM 0 HD12 LEU A 85 1.094 -1.103 -0.874 1.00 65.11 H new ATOM 0 HD13 LEU A 85 2.741 -0.659 -1.379 1.00 65.11 H new ATOM 0 HD21 LEU A 85 4.137 -2.857 0.365 1.00 42.13 H new ATOM 0 HD22 LEU A 85 4.721 -1.177 0.312 1.00 42.13 H new ATOM 0 HD23 LEU A 85 4.299 -1.924 1.871 1.00 42.13 H new ATOM 1380 N SER A 86 3.245 2.650 2.973 1.00 54.14 N ATOM 1381 CA SER A 86 2.888 4.047 3.244 1.00 65.44 C ATOM 1382 C SER A 86 3.405 4.956 2.123 1.00 73.00 C ATOM 1383 O SER A 86 4.412 4.659 1.473 1.00 44.41 O ATOM 1384 CB SER A 86 3.447 4.511 4.603 1.00 23.14 C ATOM 1385 OG SER A 86 2.956 5.797 4.928 1.00 71.10 O ATOM 0 H SER A 86 4.176 2.534 2.572 1.00 54.14 H new ATOM 0 HA SER A 86 1.801 4.114 3.283 1.00 65.44 H new ATOM 0 HB2 SER A 86 3.165 3.801 5.380 1.00 23.14 H new ATOM 0 HB3 SER A 86 4.536 4.529 4.568 1.00 23.14 H new ATOM 0 HG SER A 86 2.075 5.924 4.518 1.00 71.10 H new ATOM 1391 N ALA A 87 2.689 6.066 1.901 1.00 52.44 N ATOM 1392 CA ALA A 87 3.079 7.111 0.949 1.00 51.21 C ATOM 1393 C ALA A 87 2.617 8.483 1.456 1.00 63.51 C ATOM 1394 O ALA A 87 1.820 8.567 2.385 1.00 3.53 O ATOM 1395 CB ALA A 87 2.484 6.811 -0.435 1.00 65.00 C ATOM 0 H ALA A 87 1.813 6.265 2.384 1.00 52.44 H new ATOM 0 HA ALA A 87 4.165 7.126 0.859 1.00 51.21 H new ATOM 0 HB1 ALA A 87 2.779 7.593 -1.135 1.00 65.00 H new ATOM 0 HB2 ALA A 87 2.853 5.848 -0.789 1.00 65.00 H new ATOM 0 HB3 ALA A 87 1.397 6.779 -0.364 1.00 65.00 H new ATOM 1401 N GLN A 88 3.171 9.538 0.863 1.00 52.43 N ATOM 1402 CA GLN A 88 2.722 10.918 1.046 1.00 25.22 C ATOM 1403 C GLN A 88 3.108 11.710 -0.202 1.00 53.33 C ATOM 1404 O GLN A 88 4.272 11.659 -0.633 1.00 60.13 O ATOM 1405 CB GLN A 88 3.343 11.551 2.314 1.00 71.02 C ATOM 1406 CG GLN A 88 2.893 13.002 2.609 1.00 53.53 C ATOM 1407 CD GLN A 88 3.543 13.597 3.859 1.00 25.40 C ATOM 1408 OE1 GLN A 88 3.851 12.893 4.821 1.00 44.41 O ATOM 1409 NE2 GLN A 88 3.764 14.900 3.855 1.00 22.55 N ATOM 0 H GLN A 88 3.964 9.456 0.226 1.00 52.43 H new ATOM 0 HA GLN A 88 1.641 10.936 1.184 1.00 25.22 H new ATOM 0 HB2 GLN A 88 3.093 10.928 3.172 1.00 71.02 H new ATOM 0 HB3 GLN A 88 4.428 11.536 2.215 1.00 71.02 H new ATOM 0 HG2 GLN A 88 3.131 13.630 1.751 1.00 53.53 H new ATOM 0 HG3 GLN A 88 1.810 13.022 2.727 1.00 53.53 H new ATOM 0 HE21 GLN A 88 3.499 15.460 3.045 1.00 22.55 H new ATOM 0 HE22 GLN A 88 4.200 15.346 4.662 1.00 22.55 H new ATOM 1418 N ASP A 89 2.147 12.427 -0.783 1.00 0.01 N ATOM 1419 CA ASP A 89 2.376 13.211 -2.005 1.00 4.32 C ATOM 1420 C ASP A 89 2.703 14.673 -1.623 1.00 44.10 C ATOM 1421 O ASP A 89 2.742 15.006 -0.432 1.00 13.21 O ATOM 1422 CB ASP A 89 1.150 13.083 -2.971 1.00 23.10 C ATOM 1423 CG ASP A 89 0.076 14.151 -2.780 1.00 41.03 C ATOM 1424 OD1 ASP A 89 -0.594 14.162 -1.731 1.00 1.43 O ATOM 1425 OD2 ASP A 89 -0.042 15.035 -3.652 1.00 1.24 O ATOM 0 H ASP A 89 1.193 12.484 -0.426 1.00 0.01 H new ATOM 0 HA ASP A 89 3.235 12.821 -2.550 1.00 4.32 H new ATOM 0 HB2 ASP A 89 1.508 13.127 -3.999 1.00 23.10 H new ATOM 0 HB3 ASP A 89 0.696 12.102 -2.833 1.00 23.10 H new ATOM 1430 N ASP A 90 2.913 15.537 -2.635 1.00 31.12 N ATOM 1431 CA ASP A 90 3.380 16.929 -2.449 1.00 41.41 C ATOM 1432 C ASP A 90 2.308 17.824 -1.806 1.00 41.11 C ATOM 1433 O ASP A 90 2.634 18.826 -1.155 1.00 33.13 O ATOM 1434 CB ASP A 90 3.829 17.520 -3.812 1.00 23.41 C ATOM 1435 CG ASP A 90 4.577 18.869 -3.684 1.00 1.21 C ATOM 1436 OD1 ASP A 90 5.736 18.872 -3.213 1.00 1.22 O ATOM 1437 OD2 ASP A 90 4.024 19.929 -4.059 1.00 73.51 O ATOM 0 H ASP A 90 2.763 15.289 -3.613 1.00 31.12 H new ATOM 0 HA ASP A 90 4.227 16.903 -1.763 1.00 41.41 H new ATOM 0 HB2 ASP A 90 4.476 16.801 -4.315 1.00 23.41 H new ATOM 0 HB3 ASP A 90 2.953 17.658 -4.445 1.00 23.41 H new ATOM 1442 N THR A 91 1.026 17.448 -1.978 1.00 22.52 N ATOM 1443 CA THR A 91 -0.105 18.183 -1.376 1.00 63.12 C ATOM 1444 C THR A 91 -0.346 17.698 0.072 1.00 61.10 C ATOM 1445 O THR A 91 -1.186 18.252 0.790 1.00 4.52 O ATOM 1446 CB THR A 91 -1.415 18.062 -2.226 1.00 73.23 C ATOM 1447 OG1 THR A 91 -1.985 16.747 -2.133 1.00 73.31 O ATOM 1448 CG2 THR A 91 -1.160 18.398 -3.705 1.00 55.43 C ATOM 0 H THR A 91 0.747 16.637 -2.530 1.00 22.52 H new ATOM 0 HA THR A 91 0.164 19.239 -1.360 1.00 63.12 H new ATOM 0 HB THR A 91 -2.120 18.784 -1.814 1.00 73.23 H new ATOM 0 HG1 THR A 91 -1.496 16.136 -2.723 1.00 73.31 H new ATOM 0 HG21 THR A 91 -2.090 18.304 -4.265 1.00 55.43 H new ATOM 0 HG22 THR A 91 -0.789 19.420 -3.787 1.00 55.43 H new ATOM 0 HG23 THR A 91 -0.420 17.709 -4.112 1.00 55.43 H new ATOM 1456 N GLY A 92 0.406 16.650 0.483 1.00 64.10 N ATOM 1457 CA GLY A 92 0.487 16.218 1.879 1.00 42.12 C ATOM 1458 C GLY A 92 -0.504 15.137 2.267 1.00 54.54 C ATOM 1459 O GLY A 92 -0.723 14.912 3.467 1.00 23.41 O ATOM 0 H GLY A 92 0.970 16.086 -0.153 1.00 64.10 H new ATOM 0 HA2 GLY A 92 1.496 15.854 2.074 1.00 42.12 H new ATOM 0 HA3 GLY A 92 0.330 17.084 2.523 1.00 42.12 H new ATOM 1463 N CYS A 93 -1.125 14.471 1.275 1.00 54.31 N ATOM 1464 CA CYS A 93 -2.054 13.367 1.547 1.00 4.30 C ATOM 1465 C CYS A 93 -1.245 12.141 1.977 1.00 74.32 C ATOM 1466 O CYS A 93 -0.393 11.667 1.224 1.00 42.34 O ATOM 1467 CB CYS A 93 -2.920 13.067 0.311 1.00 44.13 C ATOM 1468 SG CYS A 93 -3.733 14.525 -0.363 1.00 32.40 S ATOM 0 H CYS A 93 -0.999 14.680 0.285 1.00 54.31 H new ATOM 0 HA CYS A 93 -2.735 13.645 2.352 1.00 4.30 H new ATOM 0 HB2 CYS A 93 -2.295 12.619 -0.461 1.00 44.13 H new ATOM 0 HB3 CYS A 93 -3.676 12.329 0.577 1.00 44.13 H new ATOM 0 HG CYS A 93 -2.865 15.246 -1.009 1.00 32.40 H new ATOM 1474 N LEU A 94 -1.524 11.652 3.194 1.00 75.42 N ATOM 1475 CA LEU A 94 -0.789 10.528 3.803 1.00 44.35 C ATOM 1476 C LEU A 94 -1.595 9.241 3.563 1.00 45.41 C ATOM 1477 O LEU A 94 -2.722 9.140 4.018 1.00 52.44 O ATOM 1478 CB LEU A 94 -0.564 10.800 5.335 1.00 63.54 C ATOM 1479 CG LEU A 94 0.569 9.992 6.081 1.00 61.04 C ATOM 1480 CD1 LEU A 94 0.239 8.505 6.234 1.00 72.53 C ATOM 1481 CD2 LEU A 94 1.943 10.195 5.418 1.00 23.45 C ATOM 0 H LEU A 94 -2.266 12.024 3.787 1.00 75.42 H new ATOM 0 HA LEU A 94 0.196 10.418 3.349 1.00 44.35 H new ATOM 0 HB2 LEU A 94 -0.350 11.862 5.456 1.00 63.54 H new ATOM 0 HB3 LEU A 94 -1.505 10.604 5.849 1.00 63.54 H new ATOM 0 HG LEU A 94 0.620 10.403 7.089 1.00 61.04 H new ATOM 0 HD11 LEU A 94 1.055 8.003 6.754 1.00 72.53 H new ATOM 0 HD12 LEU A 94 -0.681 8.394 6.809 1.00 72.53 H new ATOM 0 HD13 LEU A 94 0.107 8.058 5.249 1.00 72.53 H new ATOM 0 HD21 LEU A 94 2.696 9.623 5.960 1.00 23.45 H new ATOM 0 HD22 LEU A 94 1.902 9.853 4.384 1.00 23.45 H new ATOM 0 HD23 LEU A 94 2.205 11.253 5.440 1.00 23.45 H new ATOM 1493 N PHE A 95 -0.996 8.270 2.873 1.00 11.41 N ATOM 1494 CA PHE A 95 -1.642 7.008 2.487 1.00 45.13 C ATOM 1495 C PHE A 95 -1.046 5.845 3.293 1.00 12.42 C ATOM 1496 O PHE A 95 0.163 5.783 3.510 1.00 70.22 O ATOM 1497 CB PHE A 95 -1.442 6.757 0.980 1.00 54.35 C ATOM 1498 CG PHE A 95 -1.919 7.903 0.100 1.00 54.24 C ATOM 1499 CD1 PHE A 95 -3.273 8.061 -0.193 1.00 64.12 C ATOM 1500 CD2 PHE A 95 -1.010 8.816 -0.444 1.00 11.42 C ATOM 1501 CE1 PHE A 95 -3.704 9.100 -0.990 1.00 34.52 C ATOM 1502 CE2 PHE A 95 -1.444 9.850 -1.238 1.00 63.22 C ATOM 1503 CZ PHE A 95 -2.789 9.988 -1.517 1.00 32.24 C ATOM 0 H PHE A 95 -0.028 8.337 2.559 1.00 11.41 H new ATOM 0 HA PHE A 95 -2.709 7.076 2.699 1.00 45.13 H new ATOM 0 HB2 PHE A 95 -0.384 6.579 0.788 1.00 54.35 H new ATOM 0 HB3 PHE A 95 -1.974 5.848 0.698 1.00 54.35 H new ATOM 0 HD1 PHE A 95 -3.992 7.362 0.209 1.00 64.12 H new ATOM 0 HD2 PHE A 95 0.045 8.707 -0.238 1.00 11.42 H new ATOM 0 HE1 PHE A 95 -4.756 9.219 -1.202 1.00 34.52 H new ATOM 0 HE2 PHE A 95 -0.733 10.555 -1.644 1.00 63.22 H new ATOM 0 HZ PHE A 95 -3.126 10.795 -2.151 1.00 32.24 H new ATOM 1513 N LEU A 96 -1.927 4.975 3.779 1.00 23.03 N ATOM 1514 CA LEU A 96 -1.591 3.742 4.492 1.00 71.13 C ATOM 1515 C LEU A 96 -2.277 2.566 3.762 1.00 34.31 C ATOM 1516 O LEU A 96 -3.497 2.579 3.597 1.00 11.10 O ATOM 1517 CB LEU A 96 -2.131 3.852 5.945 1.00 70.01 C ATOM 1518 CG LEU A 96 -1.781 5.155 6.738 1.00 64.52 C ATOM 1519 CD1 LEU A 96 -2.661 5.310 7.982 1.00 41.13 C ATOM 1520 CD2 LEU A 96 -0.296 5.210 7.116 1.00 21.22 C ATOM 0 H LEU A 96 -2.933 5.113 3.684 1.00 23.03 H new ATOM 0 HA LEU A 96 -0.513 3.581 4.518 1.00 71.13 H new ATOM 0 HB2 LEU A 96 -3.216 3.758 5.911 1.00 70.01 H new ATOM 0 HB3 LEU A 96 -1.755 3.000 6.511 1.00 70.01 H new ATOM 0 HG LEU A 96 -1.986 5.994 6.073 1.00 64.52 H new ATOM 0 HD11 LEU A 96 -2.390 6.226 8.508 1.00 41.13 H new ATOM 0 HD12 LEU A 96 -3.708 5.360 7.683 1.00 41.13 H new ATOM 0 HD13 LEU A 96 -2.512 4.455 8.642 1.00 41.13 H new ATOM 0 HD21 LEU A 96 -0.094 6.130 7.665 1.00 21.22 H new ATOM 0 HD22 LEU A 96 -0.048 4.352 7.741 1.00 21.22 H new ATOM 0 HD23 LEU A 96 0.311 5.187 6.211 1.00 21.22 H new ATOM 1532 N THR A 97 -1.501 1.576 3.316 1.00 30.53 N ATOM 1533 CA THR A 97 -2.011 0.417 2.552 1.00 52.14 C ATOM 1534 C THR A 97 -1.650 -0.914 3.242 1.00 41.01 C ATOM 1535 O THR A 97 -0.656 -1.005 3.965 1.00 34.22 O ATOM 1536 CB THR A 97 -1.448 0.443 1.086 1.00 41.43 C ATOM 1537 OG1 THR A 97 -1.700 1.724 0.514 1.00 2.11 O ATOM 1538 CG2 THR A 97 -2.067 -0.631 0.168 1.00 75.13 C ATOM 0 H THR A 97 -0.493 1.548 3.472 1.00 30.53 H new ATOM 0 HA THR A 97 -3.098 0.490 2.516 1.00 52.14 H new ATOM 0 HB THR A 97 -0.381 0.231 1.158 1.00 41.43 H new ATOM 0 HG1 THR A 97 -1.380 1.738 -0.412 1.00 2.11 H new ATOM 0 HG21 THR A 97 -1.631 -0.553 -0.828 1.00 75.13 H new ATOM 0 HG22 THR A 97 -1.863 -1.621 0.577 1.00 75.13 H new ATOM 0 HG23 THR A 97 -3.145 -0.479 0.105 1.00 75.13 H new ATOM 1546 N GLU A 98 -2.518 -1.913 3.046 1.00 0.21 N ATOM 1547 CA GLU A 98 -2.263 -3.307 3.401 1.00 22.52 C ATOM 1548 C GLU A 98 -2.441 -4.164 2.137 1.00 1.34 C ATOM 1549 O GLU A 98 -3.368 -3.935 1.357 1.00 63.04 O ATOM 1550 CB GLU A 98 -3.237 -3.783 4.499 1.00 62.24 C ATOM 1551 CG GLU A 98 -2.970 -5.213 4.997 1.00 51.10 C ATOM 1552 CD GLU A 98 -4.086 -5.754 5.899 1.00 42.41 C ATOM 1553 OE1 GLU A 98 -4.093 -5.456 7.110 1.00 45.24 O ATOM 1554 OE2 GLU A 98 -4.945 -6.514 5.405 1.00 1.11 O ATOM 0 H GLU A 98 -3.436 -1.768 2.627 1.00 0.21 H new ATOM 0 HA GLU A 98 -1.249 -3.404 3.790 1.00 22.52 H new ATOM 0 HB2 GLU A 98 -3.177 -3.098 5.345 1.00 62.24 H new ATOM 0 HB3 GLU A 98 -4.256 -3.728 4.115 1.00 62.24 H new ATOM 0 HG2 GLU A 98 -2.852 -5.874 4.139 1.00 51.10 H new ATOM 0 HG3 GLU A 98 -2.028 -5.231 5.545 1.00 51.10 H new ATOM 1561 N LEU A 99 -1.540 -5.125 1.932 1.00 45.44 N ATOM 1562 CA LEU A 99 -1.644 -6.125 0.862 1.00 34.31 C ATOM 1563 C LEU A 99 -1.657 -7.515 1.526 1.00 65.25 C ATOM 1564 O LEU A 99 -0.793 -7.804 2.357 1.00 35.31 O ATOM 1565 CB LEU A 99 -0.448 -5.991 -0.129 1.00 21.33 C ATOM 1566 CG LEU A 99 -0.253 -4.621 -0.856 1.00 14.42 C ATOM 1567 CD1 LEU A 99 0.956 -4.667 -1.814 1.00 63.43 C ATOM 1568 CD2 LEU A 99 -1.527 -4.185 -1.597 1.00 41.14 C ATOM 0 H LEU A 99 -0.706 -5.235 2.510 1.00 45.44 H new ATOM 0 HA LEU A 99 -2.557 -5.976 0.285 1.00 34.31 H new ATOM 0 HB2 LEU A 99 0.468 -6.212 0.419 1.00 21.33 H new ATOM 0 HB3 LEU A 99 -0.557 -6.762 -0.892 1.00 21.33 H new ATOM 0 HG LEU A 99 -0.049 -3.873 -0.090 1.00 14.42 H new ATOM 0 HD11 LEU A 99 1.068 -3.701 -2.306 1.00 63.43 H new ATOM 0 HD12 LEU A 99 1.860 -4.893 -1.248 1.00 63.43 H new ATOM 0 HD13 LEU A 99 0.796 -5.440 -2.565 1.00 63.43 H new ATOM 0 HD21 LEU A 99 -1.352 -3.229 -2.090 1.00 41.14 H new ATOM 0 HD22 LEU A 99 -1.789 -4.935 -2.343 1.00 41.14 H new ATOM 0 HD23 LEU A 99 -2.345 -4.082 -0.884 1.00 41.14 H new ATOM 1580 N LEU A 100 -2.646 -8.355 1.186 1.00 70.14 N ATOM 1581 CA LEU A 100 -2.836 -9.681 1.821 1.00 14.45 C ATOM 1582 C LEU A 100 -3.082 -10.734 0.722 1.00 72.31 C ATOM 1583 O LEU A 100 -4.140 -10.726 0.109 1.00 1.11 O ATOM 1584 CB LEU A 100 -4.033 -9.596 2.838 1.00 30.11 C ATOM 1585 CG LEU A 100 -4.231 -10.772 3.878 1.00 62.14 C ATOM 1586 CD1 LEU A 100 -5.299 -10.407 4.931 1.00 45.21 C ATOM 1587 CD2 LEU A 100 -4.597 -12.117 3.215 1.00 30.32 C ATOM 0 H LEU A 100 -3.337 -8.142 0.467 1.00 70.14 H new ATOM 0 HA LEU A 100 -1.947 -9.979 2.376 1.00 14.45 H new ATOM 0 HB2 LEU A 100 -3.922 -8.670 3.403 1.00 30.11 H new ATOM 0 HB3 LEU A 100 -4.953 -9.508 2.260 1.00 30.11 H new ATOM 0 HG LEU A 100 -3.264 -10.902 4.365 1.00 62.14 H new ATOM 0 HD11 LEU A 100 -5.415 -11.233 5.633 1.00 45.21 H new ATOM 0 HD12 LEU A 100 -4.987 -9.513 5.471 1.00 45.21 H new ATOM 0 HD13 LEU A 100 -6.250 -10.217 4.434 1.00 45.21 H new ATOM 0 HD21 LEU A 100 -4.718 -12.880 3.984 1.00 30.32 H new ATOM 0 HD22 LEU A 100 -5.530 -12.008 2.661 1.00 30.32 H new ATOM 0 HD23 LEU A 100 -3.802 -12.414 2.531 1.00 30.32 H new ATOM 1599 N LEU A 101 -2.139 -11.673 0.512 1.00 74.04 N ATOM 1600 CA LEU A 101 -2.280 -12.716 -0.536 1.00 74.43 C ATOM 1601 C LEU A 101 -2.666 -14.072 0.097 1.00 30.02 C ATOM 1602 O LEU A 101 -2.043 -14.504 1.065 1.00 2.02 O ATOM 1603 CB LEU A 101 -0.976 -12.858 -1.361 1.00 32.54 C ATOM 1604 CG LEU A 101 -1.017 -13.899 -2.532 1.00 53.41 C ATOM 1605 CD1 LEU A 101 -2.086 -13.549 -3.581 1.00 51.40 C ATOM 1606 CD2 LEU A 101 0.358 -14.050 -3.180 1.00 60.32 C ATOM 0 H LEU A 101 -1.274 -11.735 1.049 1.00 74.04 H new ATOM 0 HA LEU A 101 -3.077 -12.406 -1.212 1.00 74.43 H new ATOM 0 HB2 LEU A 101 -0.724 -11.882 -1.777 1.00 32.54 H new ATOM 0 HB3 LEU A 101 -0.168 -13.134 -0.683 1.00 32.54 H new ATOM 0 HG LEU A 101 -1.297 -14.859 -2.097 1.00 53.41 H new ATOM 0 HD11 LEU A 101 -2.078 -14.298 -4.373 1.00 51.40 H new ATOM 0 HD12 LEU A 101 -3.068 -13.532 -3.108 1.00 51.40 H new ATOM 0 HD13 LEU A 101 -1.871 -12.569 -4.006 1.00 51.40 H new ATOM 0 HD21 LEU A 101 0.301 -14.778 -3.989 1.00 60.32 H new ATOM 0 HD22 LEU A 101 0.680 -13.088 -3.579 1.00 60.32 H new ATOM 0 HD23 LEU A 101 1.076 -14.392 -2.434 1.00 60.32 H new ATOM 1618 N GLU A 102 -3.679 -14.734 -0.485 1.00 62.13 N ATOM 1619 CA GLU A 102 -4.235 -16.014 0.015 1.00 64.11 C ATOM 1620 C GLU A 102 -3.428 -17.251 -0.482 1.00 11.53 C ATOM 1621 O GLU A 102 -2.821 -17.201 -1.562 1.00 22.21 O ATOM 1622 CB GLU A 102 -5.723 -16.106 -0.421 1.00 41.20 C ATOM 1623 CG GLU A 102 -6.663 -15.107 0.290 1.00 12.32 C ATOM 1624 CD GLU A 102 -6.864 -15.426 1.790 1.00 31.41 C ATOM 1625 OE1 GLU A 102 -5.998 -15.069 2.621 1.00 25.10 O ATOM 1626 OE2 GLU A 102 -7.883 -16.052 2.150 1.00 11.24 O ATOM 0 H GLU A 102 -4.145 -14.396 -1.327 1.00 62.13 H new ATOM 0 HA GLU A 102 -4.160 -16.026 1.102 1.00 64.11 H new ATOM 0 HB2 GLU A 102 -5.784 -15.940 -1.497 1.00 41.20 H new ATOM 0 HB3 GLU A 102 -6.081 -17.118 -0.234 1.00 41.20 H new ATOM 0 HG2 GLU A 102 -6.257 -14.101 0.190 1.00 12.32 H new ATOM 0 HG3 GLU A 102 -7.632 -15.111 -0.209 1.00 12.32 H new ATOM 1633 N PRO A 103 -3.401 -18.384 0.319 1.00 44.22 N ATOM 1634 CA PRO A 103 -2.708 -19.646 -0.073 1.00 22.30 C ATOM 1635 C PRO A 103 -3.358 -20.357 -1.295 1.00 74.21 C ATOM 1636 O PRO A 103 -2.764 -20.396 -2.382 1.00 31.04 O ATOM 1637 CB PRO A 103 -2.769 -20.526 1.218 1.00 64.23 C ATOM 1638 CG PRO A 103 -3.146 -19.576 2.329 1.00 2.41 C ATOM 1639 CD PRO A 103 -3.992 -18.503 1.684 1.00 1.54 C ATOM 0 HA PRO A 103 -1.689 -19.454 -0.408 1.00 22.30 H new ATOM 0 HB2 PRO A 103 -3.505 -21.324 1.116 1.00 64.23 H new ATOM 0 HB3 PRO A 103 -1.808 -21.002 1.416 1.00 64.23 H new ATOM 0 HG2 PRO A 103 -3.700 -20.092 3.113 1.00 2.41 H new ATOM 0 HG3 PRO A 103 -2.259 -19.147 2.795 1.00 2.41 H new ATOM 0 HD2 PRO A 103 -5.044 -18.787 1.645 1.00 1.54 H new ATOM 0 HD3 PRO A 103 -3.936 -17.562 2.231 1.00 1.54 H new ATOM 1647 N GLY A 104 -4.574 -20.901 -1.099 1.00 33.14 N ATOM 1648 CA GLY A 104 -5.266 -21.698 -2.127 1.00 21.35 C ATOM 1649 C GLY A 104 -5.899 -20.837 -3.211 1.00 62.25 C ATOM 1650 O GLY A 104 -5.914 -21.214 -4.389 1.00 12.41 O ATOM 0 H GLY A 104 -5.100 -20.801 -0.231 1.00 33.14 H new ATOM 0 HA2 GLY A 104 -4.557 -22.388 -2.585 1.00 21.35 H new ATOM 0 HA3 GLY A 104 -6.038 -22.303 -1.653 1.00 21.35 H new ATOM 1654 N ASN A 105 -6.417 -19.668 -2.804 1.00 70.34 N ATOM 1655 CA ASN A 105 -7.017 -18.682 -3.718 1.00 4.31 C ATOM 1656 C ASN A 105 -5.933 -17.704 -4.171 1.00 12.35 C ATOM 1657 O ASN A 105 -5.137 -17.243 -3.351 1.00 54.51 O ATOM 1658 CB ASN A 105 -8.174 -17.910 -3.021 1.00 11.33 C ATOM 1659 CG ASN A 105 -9.375 -18.795 -2.691 1.00 22.30 C ATOM 1660 OD1 ASN A 105 -9.702 -19.727 -3.427 1.00 71.24 O ATOM 1661 ND2 ASN A 105 -10.036 -18.522 -1.580 1.00 5.02 N ATOM 0 H ASN A 105 -6.432 -19.378 -1.826 1.00 70.34 H new ATOM 0 HA ASN A 105 -7.433 -19.203 -4.580 1.00 4.31 H new ATOM 0 HB2 ASN A 105 -7.800 -17.459 -2.102 1.00 11.33 H new ATOM 0 HB3 ASN A 105 -8.499 -17.094 -3.667 1.00 11.33 H new ATOM 0 HD21 ASN A 105 -10.840 -19.090 -1.312 1.00 5.02 H new ATOM 0 HD22 ASN A 105 -9.742 -17.744 -0.990 1.00 5.02 H new ATOM 1668 N SER A 106 -5.898 -17.392 -5.473 1.00 12.22 N ATOM 1669 CA SER A 106 -4.967 -16.403 -6.040 1.00 34.13 C ATOM 1670 C SER A 106 -5.613 -15.018 -5.926 1.00 75.12 C ATOM 1671 O SER A 106 -5.974 -14.394 -6.925 1.00 75.24 O ATOM 1672 CB SER A 106 -4.645 -16.782 -7.506 1.00 30.50 C ATOM 1673 OG SER A 106 -4.113 -18.093 -7.587 1.00 63.24 O ATOM 0 H SER A 106 -6.514 -17.818 -6.165 1.00 12.22 H new ATOM 0 HA SER A 106 -4.023 -16.388 -5.496 1.00 34.13 H new ATOM 0 HB2 SER A 106 -5.550 -16.715 -8.110 1.00 30.50 H new ATOM 0 HB3 SER A 106 -3.932 -16.070 -7.921 1.00 30.50 H new ATOM 0 HG SER A 106 -3.919 -18.310 -8.523 1.00 63.24 H new ATOM 1679 N GLU A 107 -5.827 -14.587 -4.671 1.00 41.41 N ATOM 1680 CA GLU A 107 -6.529 -13.340 -4.335 1.00 63.33 C ATOM 1681 C GLU A 107 -5.650 -12.478 -3.416 1.00 22.33 C ATOM 1682 O GLU A 107 -5.199 -12.946 -2.366 1.00 12.24 O ATOM 1683 CB GLU A 107 -7.876 -13.674 -3.625 1.00 51.32 C ATOM 1684 CG GLU A 107 -8.912 -14.417 -4.498 1.00 31.43 C ATOM 1685 CD GLU A 107 -9.325 -13.629 -5.755 1.00 72.24 C ATOM 1686 OE1 GLU A 107 -9.976 -12.567 -5.617 1.00 62.34 O ATOM 1687 OE2 GLU A 107 -9.019 -14.065 -6.882 1.00 40.50 O ATOM 0 H GLU A 107 -5.512 -15.104 -3.850 1.00 41.41 H new ATOM 0 HA GLU A 107 -6.735 -12.784 -5.250 1.00 63.33 H new ATOM 0 HB2 GLU A 107 -7.664 -14.281 -2.745 1.00 51.32 H new ATOM 0 HB3 GLU A 107 -8.322 -12.745 -3.271 1.00 51.32 H new ATOM 0 HG2 GLU A 107 -8.499 -15.379 -4.800 1.00 31.43 H new ATOM 0 HG3 GLU A 107 -9.799 -14.625 -3.900 1.00 31.43 H new ATOM 1694 N MET A 108 -5.426 -11.221 -3.817 1.00 25.42 N ATOM 1695 CA MET A 108 -4.707 -10.231 -3.014 1.00 55.02 C ATOM 1696 C MET A 108 -5.716 -9.160 -2.583 1.00 1.43 C ATOM 1697 O MET A 108 -6.388 -8.565 -3.424 1.00 30.43 O ATOM 1698 CB MET A 108 -3.528 -9.608 -3.802 1.00 53.12 C ATOM 1699 CG MET A 108 -2.721 -8.562 -3.001 1.00 55.43 C ATOM 1700 SD MET A 108 -1.257 -7.957 -3.867 1.00 33.14 S ATOM 1701 CE MET A 108 -0.245 -9.435 -3.946 1.00 22.31 C ATOM 0 H MET A 108 -5.743 -10.861 -4.717 1.00 25.42 H new ATOM 0 HA MET A 108 -4.269 -10.710 -2.138 1.00 55.02 H new ATOM 0 HB2 MET A 108 -2.856 -10.405 -4.120 1.00 53.12 H new ATOM 0 HB3 MET A 108 -3.916 -9.138 -4.706 1.00 53.12 H new ATOM 0 HG2 MET A 108 -3.369 -7.717 -2.767 1.00 55.43 H new ATOM 0 HG3 MET A 108 -2.415 -9.001 -2.052 1.00 55.43 H new ATOM 0 HE1 MET A 108 0.778 -9.162 -4.206 1.00 22.31 H new ATOM 0 HE2 MET A 108 -0.252 -9.933 -2.977 1.00 22.31 H new ATOM 0 HE3 MET A 108 -0.644 -10.109 -4.703 1.00 22.31 H new ATOM 1711 N GLN A 109 -5.809 -8.937 -1.275 1.00 52.22 N ATOM 1712 CA GLN A 109 -6.752 -8.026 -0.644 1.00 10.41 C ATOM 1713 C GLN A 109 -5.999 -6.727 -0.346 1.00 41.34 C ATOM 1714 O GLN A 109 -4.975 -6.737 0.350 1.00 20.23 O ATOM 1715 CB GLN A 109 -7.331 -8.718 0.634 1.00 45.10 C ATOM 1716 CG GLN A 109 -8.257 -7.863 1.550 1.00 5.10 C ATOM 1717 CD GLN A 109 -7.500 -7.043 2.608 1.00 62.14 C ATOM 1718 OE1 GLN A 109 -7.177 -5.875 2.417 1.00 43.43 O ATOM 1719 NE2 GLN A 109 -7.184 -7.672 3.721 1.00 73.42 N ATOM 0 H GLN A 109 -5.204 -9.406 -0.601 1.00 52.22 H new ATOM 0 HA GLN A 109 -7.602 -7.783 -1.282 1.00 10.41 H new ATOM 0 HB2 GLN A 109 -7.889 -9.599 0.317 1.00 45.10 H new ATOM 0 HB3 GLN A 109 -6.493 -9.071 1.236 1.00 45.10 H new ATOM 0 HG2 GLN A 109 -8.841 -7.185 0.928 1.00 5.10 H new ATOM 0 HG3 GLN A 109 -8.964 -8.523 2.053 1.00 5.10 H new ATOM 0 HE21 GLN A 109 -7.465 -8.643 3.855 1.00 73.42 H new ATOM 0 HE22 GLN A 109 -6.659 -7.188 4.449 1.00 73.42 H new ATOM 1728 N ILE A 110 -6.495 -5.636 -0.922 1.00 12.25 N ATOM 1729 CA ILE A 110 -5.912 -4.301 -0.784 1.00 71.01 C ATOM 1730 C ILE A 110 -6.804 -3.496 0.170 1.00 23.42 C ATOM 1731 O ILE A 110 -7.970 -3.266 -0.143 1.00 44.15 O ATOM 1732 CB ILE A 110 -5.811 -3.540 -2.174 1.00 14.34 C ATOM 1733 CG1 ILE A 110 -4.806 -4.231 -3.170 1.00 1.24 C ATOM 1734 CG2 ILE A 110 -5.427 -2.056 -1.954 1.00 2.24 C ATOM 1735 CD1 ILE A 110 -5.283 -5.520 -3.826 1.00 62.02 C ATOM 0 H ILE A 110 -7.329 -5.653 -1.509 1.00 12.25 H new ATOM 0 HA ILE A 110 -4.897 -4.402 -0.399 1.00 71.01 H new ATOM 0 HB ILE A 110 -6.797 -3.588 -2.636 1.00 14.34 H new ATOM 0 HG12 ILE A 110 -4.560 -3.518 -3.957 1.00 1.24 H new ATOM 0 HG13 ILE A 110 -3.882 -4.443 -2.631 1.00 1.24 H new ATOM 0 HG21 ILE A 110 -5.362 -1.550 -2.917 1.00 2.24 H new ATOM 0 HG22 ILE A 110 -6.186 -1.571 -1.340 1.00 2.24 H new ATOM 0 HG23 ILE A 110 -4.462 -2.001 -1.450 1.00 2.24 H new ATOM 0 HD11 ILE A 110 -4.506 -5.900 -4.489 1.00 62.02 H new ATOM 0 HD12 ILE A 110 -5.499 -6.262 -3.057 1.00 62.02 H new ATOM 0 HD13 ILE A 110 -6.187 -5.322 -4.403 1.00 62.02 H new ATOM 1747 N SER A 111 -6.260 -3.074 1.326 1.00 62.34 N ATOM 1748 CA SER A 111 -6.959 -2.191 2.271 1.00 55.04 C ATOM 1749 C SER A 111 -6.214 -0.851 2.333 1.00 54.42 C ATOM 1750 O SER A 111 -5.131 -0.758 2.918 1.00 63.22 O ATOM 1751 CB SER A 111 -7.030 -2.842 3.677 1.00 24.21 C ATOM 1752 OG SER A 111 -7.750 -2.032 4.592 1.00 65.33 O ATOM 0 H SER A 111 -5.322 -3.337 1.629 1.00 62.34 H new ATOM 0 HA SER A 111 -7.982 -2.027 1.931 1.00 55.04 H new ATOM 0 HB2 SER A 111 -7.507 -3.819 3.602 1.00 24.21 H new ATOM 0 HB3 SER A 111 -6.020 -3.008 4.053 1.00 24.21 H new ATOM 0 HG SER A 111 -7.777 -2.472 5.467 1.00 65.33 H new ATOM 1758 N VAL A 112 -6.800 0.182 1.717 1.00 31.25 N ATOM 1759 CA VAL A 112 -6.254 1.544 1.727 1.00 25.42 C ATOM 1760 C VAL A 112 -7.076 2.408 2.701 1.00 75.11 C ATOM 1761 O VAL A 112 -8.305 2.314 2.762 1.00 3.34 O ATOM 1762 CB VAL A 112 -6.247 2.196 0.288 1.00 73.44 C ATOM 1763 CG1 VAL A 112 -5.676 3.643 0.310 1.00 10.10 C ATOM 1764 CG2 VAL A 112 -5.454 1.321 -0.708 1.00 35.45 C ATOM 0 H VAL A 112 -7.672 0.096 1.194 1.00 31.25 H new ATOM 0 HA VAL A 112 -5.216 1.491 2.055 1.00 25.42 H new ATOM 0 HB VAL A 112 -7.284 2.254 -0.044 1.00 73.44 H new ATOM 0 HG11 VAL A 112 -5.689 4.055 -0.699 1.00 10.10 H new ATOM 0 HG12 VAL A 112 -6.287 4.265 0.964 1.00 10.10 H new ATOM 0 HG13 VAL A 112 -4.651 3.624 0.681 1.00 10.10 H new ATOM 0 HG21 VAL A 112 -5.463 1.790 -1.692 1.00 35.45 H new ATOM 0 HG22 VAL A 112 -4.425 1.220 -0.364 1.00 35.45 H new ATOM 0 HG23 VAL A 112 -5.914 0.335 -0.772 1.00 35.45 H new ATOM 1774 N LYS A 113 -6.360 3.212 3.469 1.00 71.34 N ATOM 1775 CA LYS A 113 -6.908 4.237 4.346 1.00 40.34 C ATOM 1776 C LYS A 113 -5.926 5.412 4.315 1.00 61.02 C ATOM 1777 O LYS A 113 -4.714 5.201 4.274 1.00 31.52 O ATOM 1778 CB LYS A 113 -7.113 3.705 5.797 1.00 5.50 C ATOM 1779 CG LYS A 113 -5.828 3.261 6.524 1.00 34.41 C ATOM 1780 CD LYS A 113 -6.059 2.854 7.997 1.00 2.23 C ATOM 1781 CE LYS A 113 -6.968 1.626 8.159 1.00 41.34 C ATOM 1782 NZ LYS A 113 -7.087 1.221 9.585 1.00 52.32 N ATOM 0 H LYS A 113 -5.341 3.168 3.501 1.00 71.34 H new ATOM 0 HA LYS A 113 -7.895 4.547 4.003 1.00 40.34 H new ATOM 0 HB2 LYS A 113 -7.594 4.485 6.388 1.00 5.50 H new ATOM 0 HB3 LYS A 113 -7.802 2.861 5.763 1.00 5.50 H new ATOM 0 HG2 LYS A 113 -5.390 2.419 5.988 1.00 34.41 H new ATOM 0 HG3 LYS A 113 -5.102 4.073 6.490 1.00 34.41 H new ATOM 0 HD2 LYS A 113 -5.096 2.647 8.464 1.00 2.23 H new ATOM 0 HD3 LYS A 113 -6.499 3.695 8.533 1.00 2.23 H new ATOM 0 HE2 LYS A 113 -7.957 1.849 7.759 1.00 41.34 H new ATOM 0 HE3 LYS A 113 -6.568 0.796 7.576 1.00 41.34 H new ATOM 0 HZ1 LYS A 113 -7.086 0.183 9.652 1.00 52.32 H new ATOM 0 HZ2 LYS A 113 -6.283 1.604 10.123 1.00 52.32 H new ATOM 0 HZ3 LYS A 113 -7.975 1.593 9.978 1.00 52.32 H new ATOM 1796 N GLN A 114 -6.426 6.635 4.312 1.00 24.54 N ATOM 1797 CA GLN A 114 -5.581 7.836 4.224 1.00 24.33 C ATOM 1798 C GLN A 114 -6.015 8.857 5.280 1.00 45.54 C ATOM 1799 O GLN A 114 -7.136 8.782 5.798 1.00 14.14 O ATOM 1800 CB GLN A 114 -5.593 8.452 2.787 1.00 12.51 C ATOM 1801 CG GLN A 114 -6.971 8.924 2.262 1.00 32.41 C ATOM 1802 CD GLN A 114 -7.820 7.843 1.572 1.00 14.23 C ATOM 1803 OE1 GLN A 114 -7.694 6.650 1.835 1.00 73.20 O ATOM 1804 NE2 GLN A 114 -8.722 8.269 0.692 1.00 51.11 N ATOM 0 H GLN A 114 -7.425 6.834 4.370 1.00 24.54 H new ATOM 0 HA GLN A 114 -4.550 7.545 4.426 1.00 24.33 H new ATOM 0 HB2 GLN A 114 -4.910 9.302 2.772 1.00 12.51 H new ATOM 0 HB3 GLN A 114 -5.196 7.712 2.093 1.00 12.51 H new ATOM 0 HG2 GLN A 114 -7.540 9.330 3.099 1.00 32.41 H new ATOM 0 HG3 GLN A 114 -6.812 9.741 1.558 1.00 32.41 H new ATOM 0 HE21 GLN A 114 -8.807 9.265 0.491 1.00 51.11 H new ATOM 0 HE22 GLN A 114 -9.328 7.599 0.219 1.00 51.11 H new ATOM 1813 N ASN A 115 -5.099 9.788 5.613 1.00 62.23 N ATOM 1814 CA ASN A 115 -5.326 10.827 6.632 1.00 23.30 C ATOM 1815 C ASN A 115 -6.497 11.733 6.205 1.00 5.24 C ATOM 1816 O ASN A 115 -7.607 11.592 6.721 1.00 70.24 O ATOM 1817 CB ASN A 115 -4.022 11.637 6.879 1.00 10.24 C ATOM 1818 CG ASN A 115 -4.178 12.793 7.878 1.00 13.30 C ATOM 1819 OD1 ASN A 115 -4.966 12.726 8.825 1.00 22.22 O ATOM 1820 ND2 ASN A 115 -3.422 13.863 7.677 1.00 55.11 N ATOM 0 H ASN A 115 -4.177 9.839 5.179 1.00 62.23 H new ATOM 0 HA ASN A 115 -5.598 10.356 7.577 1.00 23.30 H new ATOM 0 HB2 ASN A 115 -3.250 10.959 7.243 1.00 10.24 H new ATOM 0 HB3 ASN A 115 -3.671 12.038 5.928 1.00 10.24 H new ATOM 0 HD21 ASN A 115 -3.483 14.658 8.314 1.00 55.11 H new ATOM 0 HD22 ASN A 115 -2.779 13.892 6.886 1.00 55.11 H new ATOM 1827 N GLU A 116 -6.261 12.623 5.231 1.00 13.42 N ATOM 1828 CA GLU A 116 -7.317 13.468 4.660 1.00 24.24 C ATOM 1829 C GLU A 116 -7.735 12.873 3.310 1.00 54.32 C ATOM 1830 O GLU A 116 -6.980 12.936 2.329 1.00 52.24 O ATOM 1831 CB GLU A 116 -6.825 14.931 4.533 1.00 30.12 C ATOM 1832 CG GLU A 116 -6.485 15.576 5.893 1.00 13.44 C ATOM 1833 CD GLU A 116 -6.140 17.064 5.793 1.00 41.34 C ATOM 1834 OE1 GLU A 116 -4.995 17.389 5.426 1.00 53.34 O ATOM 1835 OE2 GLU A 116 -7.016 17.917 6.057 1.00 44.15 O ATOM 0 H GLU A 116 -5.340 12.776 4.820 1.00 13.42 H new ATOM 0 HA GLU A 116 -8.189 13.490 5.314 1.00 24.24 H new ATOM 0 HB2 GLU A 116 -5.942 14.957 3.895 1.00 30.12 H new ATOM 0 HB3 GLU A 116 -7.594 15.525 4.038 1.00 30.12 H new ATOM 0 HG2 GLU A 116 -7.333 15.452 6.567 1.00 13.44 H new ATOM 0 HG3 GLU A 116 -5.643 15.045 6.338 1.00 13.44 H new ATOM 1842 N ALA A 117 -8.933 12.266 3.297 1.00 44.13 N ATOM 1843 CA ALA A 117 -9.449 11.518 2.153 1.00 65.04 C ATOM 1844 C ALA A 117 -10.058 12.447 1.104 1.00 2.21 C ATOM 1845 O ALA A 117 -11.037 13.156 1.373 1.00 40.45 O ATOM 1846 CB ALA A 117 -10.492 10.490 2.632 1.00 2.31 C ATOM 0 H ALA A 117 -9.572 12.285 4.092 1.00 44.13 H new ATOM 0 HA ALA A 117 -8.616 10.996 1.683 1.00 65.04 H new ATOM 0 HB1 ALA A 117 -10.875 9.934 1.776 1.00 2.31 H new ATOM 0 HB2 ALA A 117 -10.026 9.799 3.335 1.00 2.31 H new ATOM 0 HB3 ALA A 117 -11.314 11.009 3.125 1.00 2.31 H new ATOM 1852 N ARG A 118 -9.451 12.448 -0.092 1.00 33.43 N ATOM 1853 CA ARG A 118 -10.087 12.955 -1.310 1.00 40.54 C ATOM 1854 C ARG A 118 -10.413 11.738 -2.170 1.00 32.21 C ATOM 1855 O ARG A 118 -9.623 10.789 -2.200 1.00 2.54 O ATOM 1856 CB ARG A 118 -9.143 13.927 -2.080 1.00 32.53 C ATOM 1857 CG ARG A 118 -8.564 15.057 -1.210 1.00 24.42 C ATOM 1858 CD ARG A 118 -7.587 15.967 -1.970 1.00 31.22 C ATOM 1859 NE ARG A 118 -6.858 16.883 -1.063 1.00 2.43 N ATOM 1860 CZ ARG A 118 -5.586 17.284 -1.234 1.00 43.24 C ATOM 1861 NH1 ARG A 118 -4.862 16.859 -2.274 1.00 43.35 N ATOM 1862 NH2 ARG A 118 -5.038 18.124 -0.363 1.00 34.03 N ATOM 0 H ARG A 118 -8.505 12.096 -0.239 1.00 33.43 H new ATOM 0 HA ARG A 118 -10.986 13.521 -1.064 1.00 40.54 H new ATOM 0 HB2 ARG A 118 -8.320 13.355 -2.509 1.00 32.53 H new ATOM 0 HB3 ARG A 118 -9.692 14.368 -2.912 1.00 32.53 H new ATOM 0 HG2 ARG A 118 -9.383 15.661 -0.818 1.00 24.42 H new ATOM 0 HG3 ARG A 118 -8.051 14.620 -0.353 1.00 24.42 H new ATOM 0 HD2 ARG A 118 -6.871 15.353 -2.516 1.00 31.22 H new ATOM 0 HD3 ARG A 118 -8.136 16.550 -2.709 1.00 31.22 H new ATOM 0 HE ARG A 118 -7.358 17.236 -0.247 1.00 2.43 H new ATOM 0 HH11 ARG A 118 -5.273 16.220 -2.954 1.00 43.35 H new ATOM 0 HH12 ARG A 118 -3.898 17.174 -2.387 1.00 43.35 H new ATOM 0 HH21 ARG A 118 -5.582 18.462 0.431 1.00 34.03 H new ATOM 0 HH22 ARG A 118 -4.073 18.431 -0.488 1.00 34.03 H new ATOM 1876 N THR A 119 -11.580 11.748 -2.836 1.00 53.12 N ATOM 1877 CA THR A 119 -11.922 10.724 -3.839 1.00 22.11 C ATOM 1878 C THR A 119 -10.873 10.744 -4.977 1.00 34.03 C ATOM 1879 O THR A 119 -10.529 9.710 -5.531 1.00 24.34 O ATOM 1880 CB THR A 119 -13.368 10.944 -4.400 1.00 21.31 C ATOM 1881 OG1 THR A 119 -14.274 11.158 -3.297 1.00 24.21 O ATOM 1882 CG2 THR A 119 -13.870 9.744 -5.236 1.00 3.21 C ATOM 0 H THR A 119 -12.303 12.454 -2.698 1.00 53.12 H new ATOM 0 HA THR A 119 -11.907 9.744 -3.362 1.00 22.11 H new ATOM 0 HB THR A 119 -13.335 11.813 -5.058 1.00 21.31 H new ATOM 0 HG1 THR A 119 -15.181 11.298 -3.641 1.00 24.21 H new ATOM 0 HG21 THR A 119 -14.877 9.950 -5.600 1.00 3.21 H new ATOM 0 HG22 THR A 119 -13.203 9.586 -6.083 1.00 3.21 H new ATOM 0 HG23 THR A 119 -13.885 8.849 -4.615 1.00 3.21 H new ATOM 1890 N GLU A 120 -10.308 11.943 -5.222 1.00 52.25 N ATOM 1891 CA GLU A 120 -9.269 12.171 -6.232 1.00 50.34 C ATOM 1892 C GLU A 120 -7.946 11.474 -5.843 1.00 45.23 C ATOM 1893 O GLU A 120 -7.413 10.678 -6.620 1.00 11.22 O ATOM 1894 CB GLU A 120 -9.044 13.691 -6.364 1.00 64.14 C ATOM 1895 CG GLU A 120 -7.915 14.112 -7.323 1.00 52.32 C ATOM 1896 CD GLU A 120 -7.697 15.628 -7.334 1.00 35.50 C ATOM 1897 OE1 GLU A 120 -7.190 16.155 -6.324 1.00 62.34 O ATOM 1898 OE2 GLU A 120 -8.032 16.294 -8.339 1.00 0.42 O ATOM 0 H GLU A 120 -10.568 12.788 -4.714 1.00 52.25 H new ATOM 0 HA GLU A 120 -9.596 11.749 -7.183 1.00 50.34 H new ATOM 0 HB2 GLU A 120 -9.973 14.151 -6.700 1.00 64.14 H new ATOM 0 HB3 GLU A 120 -8.828 14.096 -5.375 1.00 64.14 H new ATOM 0 HG2 GLU A 120 -6.989 13.616 -7.031 1.00 52.32 H new ATOM 0 HG3 GLU A 120 -8.153 13.774 -8.332 1.00 52.32 H new ATOM 1905 N THR A 121 -7.441 11.760 -4.623 1.00 62.03 N ATOM 1906 CA THR A 121 -6.143 11.228 -4.166 1.00 74.34 C ATOM 1907 C THR A 121 -6.220 9.717 -3.901 1.00 21.04 C ATOM 1908 O THR A 121 -5.236 9.008 -4.095 1.00 3.31 O ATOM 1909 CB THR A 121 -5.622 11.983 -2.903 1.00 63.42 C ATOM 1910 OG1 THR A 121 -6.621 11.979 -1.857 1.00 15.42 O ATOM 1911 CG2 THR A 121 -5.229 13.436 -3.247 1.00 64.32 C ATOM 0 H THR A 121 -7.912 12.354 -3.941 1.00 62.03 H new ATOM 0 HA THR A 121 -5.428 11.395 -4.972 1.00 74.34 H new ATOM 0 HB THR A 121 -4.735 11.459 -2.547 1.00 63.42 H new ATOM 0 HG1 THR A 121 -6.276 12.455 -1.073 1.00 15.42 H new ATOM 0 HG21 THR A 121 -4.870 13.938 -2.349 1.00 64.32 H new ATOM 0 HG22 THR A 121 -4.441 13.431 -4.000 1.00 64.32 H new ATOM 0 HG23 THR A 121 -6.099 13.966 -3.636 1.00 64.32 H new ATOM 1919 N LEU A 122 -7.396 9.249 -3.449 1.00 20.11 N ATOM 1920 CA LEU A 122 -7.685 7.819 -3.269 1.00 62.20 C ATOM 1921 C LEU A 122 -7.595 7.056 -4.610 1.00 72.13 C ATOM 1922 O LEU A 122 -6.834 6.092 -4.721 1.00 30.11 O ATOM 1923 CB LEU A 122 -9.098 7.648 -2.649 1.00 75.33 C ATOM 1924 CG LEU A 122 -9.541 6.188 -2.337 1.00 13.11 C ATOM 1925 CD1 LEU A 122 -8.634 5.536 -1.278 1.00 50.31 C ATOM 1926 CD2 LEU A 122 -11.020 6.137 -1.921 1.00 75.51 C ATOM 0 H LEU A 122 -8.176 9.857 -3.197 1.00 20.11 H new ATOM 0 HA LEU A 122 -6.938 7.398 -2.596 1.00 62.20 H new ATOM 0 HB2 LEU A 122 -9.138 8.223 -1.724 1.00 75.33 H new ATOM 0 HB3 LEU A 122 -9.826 8.089 -3.330 1.00 75.33 H new ATOM 0 HG LEU A 122 -9.434 5.607 -3.253 1.00 13.11 H new ATOM 0 HD11 LEU A 122 -8.973 4.518 -1.086 1.00 50.31 H new ATOM 0 HD12 LEU A 122 -7.607 5.514 -1.643 1.00 50.31 H new ATOM 0 HD13 LEU A 122 -8.679 6.114 -0.355 1.00 50.31 H new ATOM 0 HD21 LEU A 122 -11.303 5.106 -1.709 1.00 75.51 H new ATOM 0 HD22 LEU A 122 -11.168 6.745 -1.028 1.00 75.51 H new ATOM 0 HD23 LEU A 122 -11.639 6.524 -2.730 1.00 75.51 H new ATOM 1938 N ASN A 123 -8.355 7.533 -5.626 1.00 25.40 N ATOM 1939 CA ASN A 123 -8.449 6.865 -6.947 1.00 74.13 C ATOM 1940 C ASN A 123 -7.078 6.832 -7.650 1.00 54.44 C ATOM 1941 O ASN A 123 -6.675 5.790 -8.179 1.00 12.33 O ATOM 1942 CB ASN A 123 -9.500 7.545 -7.883 1.00 71.24 C ATOM 1943 CG ASN A 123 -10.957 7.415 -7.416 1.00 2.41 C ATOM 1944 OD1 ASN A 123 -11.326 6.484 -6.700 1.00 1.25 O ATOM 1945 ND2 ASN A 123 -11.804 8.337 -7.854 1.00 11.41 N ATOM 0 H ASN A 123 -8.915 8.383 -5.554 1.00 25.40 H new ATOM 0 HA ASN A 123 -8.780 5.845 -6.753 1.00 74.13 H new ATOM 0 HB2 ASN A 123 -9.255 8.603 -7.973 1.00 71.24 H new ATOM 0 HB3 ASN A 123 -9.412 7.112 -8.879 1.00 71.24 H new ATOM 0 HD21 ASN A 123 -12.790 8.286 -7.599 1.00 11.41 H new ATOM 0 HD22 ASN A 123 -11.469 9.097 -8.446 1.00 11.41 H new ATOM 1952 N SER A 124 -6.369 7.976 -7.613 1.00 30.22 N ATOM 1953 CA SER A 124 -5.055 8.136 -8.261 1.00 63.31 C ATOM 1954 C SER A 124 -4.013 7.194 -7.623 1.00 3.42 C ATOM 1955 O SER A 124 -3.305 6.482 -8.337 1.00 13.34 O ATOM 1956 CB SER A 124 -4.590 9.609 -8.169 1.00 31.02 C ATOM 1957 OG SER A 124 -4.532 10.062 -6.826 1.00 10.44 O ATOM 0 H SER A 124 -6.692 8.816 -7.132 1.00 30.22 H new ATOM 0 HA SER A 124 -5.152 7.868 -9.313 1.00 63.31 H new ATOM 0 HB2 SER A 124 -3.607 9.709 -8.629 1.00 31.02 H new ATOM 0 HB3 SER A 124 -5.273 10.241 -8.736 1.00 31.02 H new ATOM 0 HG SER A 124 -4.342 11.023 -6.813 1.00 10.44 H new ATOM 1963 N PHE A 125 -3.979 7.179 -6.272 1.00 30.01 N ATOM 1964 CA PHE A 125 -3.033 6.368 -5.481 1.00 5.33 C ATOM 1965 C PHE A 125 -3.200 4.855 -5.746 1.00 53.31 C ATOM 1966 O PHE A 125 -2.209 4.154 -5.966 1.00 41.34 O ATOM 1967 CB PHE A 125 -3.208 6.670 -3.970 1.00 44.43 C ATOM 1968 CG PHE A 125 -2.376 5.776 -3.058 1.00 20.10 C ATOM 1969 CD1 PHE A 125 -0.995 5.947 -2.967 1.00 41.22 C ATOM 1970 CD2 PHE A 125 -2.967 4.749 -2.315 1.00 32.20 C ATOM 1971 CE1 PHE A 125 -0.235 5.116 -2.173 1.00 13.22 C ATOM 1972 CE2 PHE A 125 -2.201 3.918 -1.533 1.00 25.34 C ATOM 1973 CZ PHE A 125 -0.834 4.106 -1.452 1.00 2.31 C ATOM 0 H PHE A 125 -4.613 7.734 -5.698 1.00 30.01 H new ATOM 0 HA PHE A 125 -2.025 6.643 -5.793 1.00 5.33 H new ATOM 0 HB2 PHE A 125 -2.940 7.710 -3.785 1.00 44.43 H new ATOM 0 HB3 PHE A 125 -4.260 6.560 -3.708 1.00 44.43 H new ATOM 0 HD1 PHE A 125 -0.516 6.739 -3.524 1.00 41.22 H new ATOM 0 HD2 PHE A 125 -4.037 4.607 -2.356 1.00 32.20 H new ATOM 0 HE1 PHE A 125 0.834 5.257 -2.116 1.00 13.22 H new ATOM 0 HE2 PHE A 125 -2.668 3.116 -0.980 1.00 25.34 H new ATOM 0 HZ PHE A 125 -0.236 3.462 -0.824 1.00 2.31 H new ATOM 1983 N ILE A 126 -4.451 4.365 -5.687 1.00 32.13 N ATOM 1984 CA ILE A 126 -4.749 2.933 -5.871 1.00 0.33 C ATOM 1985 C ILE A 126 -4.492 2.525 -7.332 1.00 24.24 C ATOM 1986 O ILE A 126 -4.061 1.419 -7.580 1.00 24.44 O ATOM 1987 CB ILE A 126 -6.220 2.570 -5.442 1.00 44.45 C ATOM 1988 CG1 ILE A 126 -6.477 3.006 -3.971 1.00 63.53 C ATOM 1989 CG2 ILE A 126 -6.518 1.051 -5.613 1.00 11.00 C ATOM 1990 CD1 ILE A 126 -7.914 2.866 -3.523 1.00 14.33 C ATOM 0 H ILE A 126 -5.274 4.941 -5.513 1.00 32.13 H new ATOM 0 HA ILE A 126 -4.081 2.371 -5.218 1.00 0.33 H new ATOM 0 HB ILE A 126 -6.896 3.114 -6.102 1.00 44.45 H new ATOM 0 HG12 ILE A 126 -5.844 2.412 -3.312 1.00 63.53 H new ATOM 0 HG13 ILE A 126 -6.172 4.046 -3.854 1.00 63.53 H new ATOM 0 HG21 ILE A 126 -7.543 0.844 -5.306 1.00 11.00 H new ATOM 0 HG22 ILE A 126 -6.389 0.770 -6.658 1.00 11.00 H new ATOM 0 HG23 ILE A 126 -5.831 0.474 -4.995 1.00 11.00 H new ATOM 0 HD11 ILE A 126 -8.005 3.191 -2.487 1.00 14.33 H new ATOM 0 HD12 ILE A 126 -8.554 3.483 -4.154 1.00 14.33 H new ATOM 0 HD13 ILE A 126 -8.221 1.823 -3.604 1.00 14.33 H new ATOM 2002 N SER A 127 -4.731 3.453 -8.281 1.00 13.24 N ATOM 2003 CA SER A 127 -4.460 3.226 -9.714 1.00 72.42 C ATOM 2004 C SER A 127 -2.937 3.012 -9.944 1.00 62.43 C ATOM 2005 O SER A 127 -2.536 2.164 -10.754 1.00 21.42 O ATOM 2006 CB SER A 127 -5.008 4.405 -10.557 1.00 3.42 C ATOM 2007 OG SER A 127 -5.053 4.082 -11.933 1.00 62.32 O ATOM 0 H SER A 127 -5.115 4.376 -8.077 1.00 13.24 H new ATOM 0 HA SER A 127 -4.975 2.322 -10.039 1.00 72.42 H new ATOM 0 HB2 SER A 127 -6.008 4.667 -10.211 1.00 3.42 H new ATOM 0 HB3 SER A 127 -4.379 5.283 -10.409 1.00 3.42 H new ATOM 0 HG SER A 127 -5.404 4.846 -12.437 1.00 62.32 H new ATOM 2013 N VAL A 128 -2.110 3.769 -9.180 1.00 52.13 N ATOM 2014 CA VAL A 128 -0.643 3.601 -9.130 1.00 43.22 C ATOM 2015 C VAL A 128 -0.290 2.194 -8.608 1.00 12.30 C ATOM 2016 O VAL A 128 0.436 1.451 -9.271 1.00 63.05 O ATOM 2017 CB VAL A 128 0.027 4.725 -8.233 1.00 50.35 C ATOM 2018 CG1 VAL A 128 1.529 4.454 -7.946 1.00 51.33 C ATOM 2019 CG2 VAL A 128 -0.164 6.115 -8.884 1.00 51.23 C ATOM 0 H VAL A 128 -2.450 4.519 -8.578 1.00 52.13 H new ATOM 0 HA VAL A 128 -0.246 3.706 -10.140 1.00 43.22 H new ATOM 0 HB VAL A 128 -0.480 4.706 -7.268 1.00 50.35 H new ATOM 0 HG11 VAL A 128 1.932 5.257 -7.328 1.00 51.33 H new ATOM 0 HG12 VAL A 128 1.634 3.505 -7.421 1.00 51.33 H new ATOM 0 HG13 VAL A 128 2.077 4.410 -8.887 1.00 51.33 H new ATOM 0 HG21 VAL A 128 0.301 6.877 -8.258 1.00 51.23 H new ATOM 0 HG22 VAL A 128 0.301 6.122 -9.870 1.00 51.23 H new ATOM 0 HG23 VAL A 128 -1.229 6.327 -8.984 1.00 51.23 H new ATOM 2029 N LEU A 129 -0.852 1.848 -7.440 1.00 75.12 N ATOM 2030 CA LEU A 129 -0.675 0.535 -6.778 1.00 43.24 C ATOM 2031 C LEU A 129 -1.036 -0.644 -7.727 1.00 11.13 C ATOM 2032 O LEU A 129 -0.295 -1.618 -7.821 1.00 34.21 O ATOM 2033 CB LEU A 129 -1.587 0.495 -5.535 1.00 12.32 C ATOM 2034 CG LEU A 129 -1.563 -0.822 -4.686 1.00 53.30 C ATOM 2035 CD1 LEU A 129 -0.468 -0.808 -3.602 1.00 13.34 C ATOM 2036 CD2 LEU A 129 -2.938 -1.097 -4.084 1.00 70.03 C ATOM 0 H LEU A 129 -1.455 2.481 -6.915 1.00 75.12 H new ATOM 0 HA LEU A 129 0.373 0.421 -6.499 1.00 43.24 H new ATOM 0 HB2 LEU A 129 -1.311 1.325 -4.884 1.00 12.32 H new ATOM 0 HB3 LEU A 129 -2.612 0.672 -5.860 1.00 12.32 H new ATOM 0 HG LEU A 129 -1.312 -1.638 -5.364 1.00 53.30 H new ATOM 0 HD11 LEU A 129 -0.496 -1.744 -3.044 1.00 13.34 H new ATOM 0 HD12 LEU A 129 0.509 -0.696 -4.073 1.00 13.34 H new ATOM 0 HD13 LEU A 129 -0.641 0.026 -2.921 1.00 13.34 H new ATOM 0 HD21 LEU A 129 -2.902 -2.015 -3.498 1.00 70.03 H new ATOM 0 HD22 LEU A 129 -3.226 -0.266 -3.439 1.00 70.03 H new ATOM 0 HD23 LEU A 129 -3.670 -1.206 -4.884 1.00 70.03 H new ATOM 2048 N GLU A 130 -2.187 -0.505 -8.425 1.00 51.13 N ATOM 2049 CA GLU A 130 -2.735 -1.515 -9.362 1.00 22.44 C ATOM 2050 C GLU A 130 -1.805 -1.701 -10.571 1.00 74.04 C ATOM 2051 O GLU A 130 -1.689 -2.808 -11.097 1.00 22.41 O ATOM 2052 CB GLU A 130 -4.168 -1.116 -9.838 1.00 32.01 C ATOM 2053 CG GLU A 130 -5.263 -1.199 -8.750 1.00 0.14 C ATOM 2054 CD GLU A 130 -6.618 -0.658 -9.247 1.00 64.31 C ATOM 2055 OE1 GLU A 130 -7.418 -1.444 -9.813 1.00 3.43 O ATOM 2056 OE2 GLU A 130 -6.880 0.560 -9.107 1.00 40.33 O ATOM 0 H GLU A 130 -2.772 0.327 -8.352 1.00 51.13 H new ATOM 0 HA GLU A 130 -2.802 -2.463 -8.828 1.00 22.44 H new ATOM 0 HB2 GLU A 130 -4.136 -0.097 -10.224 1.00 32.01 H new ATOM 0 HB3 GLU A 130 -4.452 -1.762 -10.669 1.00 32.01 H new ATOM 0 HG2 GLU A 130 -5.381 -2.235 -8.434 1.00 0.14 H new ATOM 0 HG3 GLU A 130 -4.947 -0.633 -7.874 1.00 0.14 H new ATOM 2063 N THR A 131 -1.162 -0.599 -11.012 1.00 13.32 N ATOM 2064 CA THR A 131 -0.163 -0.634 -12.095 1.00 23.33 C ATOM 2065 C THR A 131 1.095 -1.420 -11.651 1.00 72.23 C ATOM 2066 O THR A 131 1.624 -2.229 -12.417 1.00 3.02 O ATOM 2067 CB THR A 131 0.235 0.815 -12.558 1.00 33.15 C ATOM 2068 OG1 THR A 131 -0.937 1.533 -12.986 1.00 42.23 O ATOM 2069 CG2 THR A 131 1.264 0.810 -13.708 1.00 22.14 C ATOM 0 H THR A 131 -1.321 0.333 -10.629 1.00 13.32 H new ATOM 0 HA THR A 131 -0.616 -1.145 -12.944 1.00 23.33 H new ATOM 0 HB THR A 131 0.695 1.304 -11.699 1.00 33.15 H new ATOM 0 HG1 THR A 131 -1.491 1.749 -12.207 1.00 42.23 H new ATOM 0 HG21 THR A 131 1.502 1.836 -13.987 1.00 22.14 H new ATOM 0 HG22 THR A 131 2.172 0.303 -13.382 1.00 22.14 H new ATOM 0 HG23 THR A 131 0.846 0.288 -14.568 1.00 22.14 H new ATOM 2077 N VAL A 132 1.542 -1.179 -10.394 1.00 30.21 N ATOM 2078 CA VAL A 132 2.731 -1.839 -9.804 1.00 4.12 C ATOM 2079 C VAL A 132 2.525 -3.358 -9.756 1.00 22.03 C ATOM 2080 O VAL A 132 3.341 -4.117 -10.283 1.00 71.24 O ATOM 2081 CB VAL A 132 3.042 -1.277 -8.360 1.00 1.41 C ATOM 2082 CG1 VAL A 132 4.248 -2.001 -7.712 1.00 35.22 C ATOM 2083 CG2 VAL A 132 3.278 0.249 -8.410 1.00 52.32 C ATOM 0 H VAL A 132 1.087 -0.521 -9.761 1.00 30.21 H new ATOM 0 HA VAL A 132 3.589 -1.619 -10.439 1.00 4.12 H new ATOM 0 HB VAL A 132 2.171 -1.472 -7.734 1.00 1.41 H new ATOM 0 HG11 VAL A 132 4.431 -1.587 -6.720 1.00 35.22 H new ATOM 0 HG12 VAL A 132 4.030 -3.066 -7.626 1.00 35.22 H new ATOM 0 HG13 VAL A 132 5.133 -1.861 -8.333 1.00 35.22 H new ATOM 0 HG21 VAL A 132 3.491 0.617 -7.406 1.00 52.32 H new ATOM 0 HG22 VAL A 132 4.124 0.465 -9.063 1.00 52.32 H new ATOM 0 HG23 VAL A 132 2.386 0.743 -8.796 1.00 52.32 H new ATOM 2093 N ILE A 133 1.385 -3.759 -9.174 1.00 70.42 N ATOM 2094 CA ILE A 133 0.990 -5.168 -9.012 1.00 31.12 C ATOM 2095 C ILE A 133 0.800 -5.815 -10.406 1.00 12.22 C ATOM 2096 O ILE A 133 1.348 -6.888 -10.685 1.00 71.23 O ATOM 2097 CB ILE A 133 -0.337 -5.267 -8.143 1.00 53.10 C ATOM 2098 CG1 ILE A 133 -0.097 -4.695 -6.704 1.00 22.35 C ATOM 2099 CG2 ILE A 133 -0.890 -6.708 -8.079 1.00 43.40 C ATOM 2100 CD1 ILE A 133 -1.300 -4.764 -5.773 1.00 42.41 C ATOM 0 H ILE A 133 0.700 -3.104 -8.796 1.00 70.42 H new ATOM 0 HA ILE A 133 1.774 -5.711 -8.485 1.00 31.12 H new ATOM 0 HB ILE A 133 -1.094 -4.660 -8.639 1.00 53.10 H new ATOM 0 HG12 ILE A 133 0.729 -5.240 -6.246 1.00 22.35 H new ATOM 0 HG13 ILE A 133 0.217 -3.655 -6.791 1.00 22.35 H new ATOM 0 HG21 ILE A 133 -1.797 -6.723 -7.474 1.00 43.40 H new ATOM 0 HG22 ILE A 133 -1.120 -7.054 -9.087 1.00 43.40 H new ATOM 0 HG23 ILE A 133 -0.144 -7.364 -7.631 1.00 43.40 H new ATOM 0 HD11 ILE A 133 -1.034 -4.345 -4.803 1.00 42.41 H new ATOM 0 HD12 ILE A 133 -2.124 -4.194 -6.201 1.00 42.41 H new ATOM 0 HD13 ILE A 133 -1.604 -5.803 -5.648 1.00 42.41 H new ATOM 2112 N GLY A 134 0.091 -5.075 -11.284 1.00 12.14 N ATOM 2113 CA GLY A 134 -0.278 -5.523 -12.629 1.00 31.11 C ATOM 2114 C GLY A 134 0.908 -5.878 -13.518 1.00 22.22 C ATOM 2115 O GLY A 134 0.911 -6.936 -14.154 1.00 64.11 O ATOM 0 H GLY A 134 -0.243 -4.136 -11.068 1.00 12.14 H new ATOM 0 HA2 GLY A 134 -0.927 -6.394 -12.544 1.00 31.11 H new ATOM 0 HA3 GLY A 134 -0.859 -4.739 -13.114 1.00 31.11 H new ATOM 2119 N THR A 135 1.927 -4.996 -13.530 1.00 72.34 N ATOM 2120 CA THR A 135 3.138 -5.135 -14.372 1.00 42.34 C ATOM 2121 C THR A 135 3.927 -6.423 -14.033 1.00 2.42 C ATOM 2122 O THR A 135 4.531 -7.047 -14.913 1.00 2.14 O ATOM 2123 CB THR A 135 4.051 -3.874 -14.205 1.00 10.42 C ATOM 2124 OG1 THR A 135 3.313 -2.692 -14.545 1.00 73.50 O ATOM 2125 CG2 THR A 135 5.319 -3.915 -15.074 1.00 72.24 C ATOM 0 H THR A 135 1.935 -4.157 -12.950 1.00 72.34 H new ATOM 0 HA THR A 135 2.818 -5.213 -15.411 1.00 42.34 H new ATOM 0 HB THR A 135 4.365 -3.865 -13.161 1.00 10.42 H new ATOM 0 HG1 THR A 135 2.678 -2.485 -13.828 1.00 73.50 H new ATOM 0 HG21 THR A 135 5.904 -3.010 -14.907 1.00 72.24 H new ATOM 0 HG22 THR A 135 5.916 -4.787 -14.806 1.00 72.24 H new ATOM 0 HG23 THR A 135 5.038 -3.977 -16.125 1.00 72.24 H new ATOM 2133 N ILE A 136 3.833 -6.837 -12.764 1.00 73.41 N ATOM 2134 CA ILE A 136 4.550 -8.009 -12.227 1.00 72.31 C ATOM 2135 C ILE A 136 3.777 -9.285 -12.613 1.00 42.21 C ATOM 2136 O ILE A 136 4.374 -10.321 -12.915 1.00 34.14 O ATOM 2137 CB ILE A 136 4.701 -7.887 -10.668 1.00 20.51 C ATOM 2138 CG1 ILE A 136 5.427 -6.554 -10.319 1.00 32.20 C ATOM 2139 CG2 ILE A 136 5.436 -9.108 -10.049 1.00 1.24 C ATOM 2140 CD1 ILE A 136 5.406 -6.189 -8.853 1.00 74.11 C ATOM 0 H ILE A 136 3.252 -6.366 -12.071 1.00 73.41 H new ATOM 0 HA ILE A 136 5.553 -8.059 -12.652 1.00 72.31 H new ATOM 0 HB ILE A 136 3.703 -7.878 -10.230 1.00 20.51 H new ATOM 0 HG12 ILE A 136 6.464 -6.624 -10.647 1.00 32.20 H new ATOM 0 HG13 ILE A 136 4.967 -5.746 -10.887 1.00 32.20 H new ATOM 0 HG21 ILE A 136 5.515 -8.976 -8.970 1.00 1.24 H new ATOM 0 HG22 ILE A 136 4.875 -10.017 -10.263 1.00 1.24 H new ATOM 0 HG23 ILE A 136 6.434 -9.188 -10.479 1.00 1.24 H new ATOM 0 HD11 ILE A 136 5.935 -5.247 -8.705 1.00 74.11 H new ATOM 0 HD12 ILE A 136 4.374 -6.082 -8.519 1.00 74.11 H new ATOM 0 HD13 ILE A 136 5.894 -6.974 -8.276 1.00 74.11 H new