USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 627 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: B 72 ASN : amide:sc= -0.0586 X(o=-0.67,f=-0.93) USER MOD Set 1.2: B 76 HIS :FLIP no HD1:sc= -0.614 X(o=-0.93,f=-0.67) USER MOD Set 2.1: B 74 CYS SG : rot 168:sc= 0.245 USER MOD Set 2.2: B 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 53 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.2: B 56 THR OG1 : rot -91:sc= 1.22 USER MOD Single : A 407 MET CE :methyl 179:sc= 0 (180deg=-0.00184) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 LYS NZ :NH3+ -166:sc= -0.0164 (180deg=-0.189) USER MOD Single : B 18 ASN : amide:sc= 0.086 K(o=0.086,f=-6.1!) USER MOD Single : B 22 TYR OH : rot 30:sc= 0.543 USER MOD Single : B 25 ASN : amide:sc= -0.196 K(o=-0.2,f=-0.77) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -158:sc= -0.159 (180deg=-0.82) USER MOD Single : B 31 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : B 35 MET CE :methyl -172:sc= -0.382 (180deg=-0.604) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ -160:sc= 1.3 (180deg=0.701) USER MOD Single : B 42 TYR OH : rot 130:sc= -0.0121 USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : B 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 THR OG1 : rot -36:sc= 0.238 USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 18:sc= 0.984 USER MOD Single : B 71 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00236) USER MOD Single : B 78 SER OG : rot 180:sc= -0.124 USER MOD Single : B 81 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 5.721 1.282 -6.645 1.00 32.44 N ATOM 392 CA LEU A 404 4.529 1.240 -5.815 1.00 1.13 C ATOM 393 C LEU A 404 4.553 -0.058 -5.009 1.00 13.12 C ATOM 394 O LEU A 404 4.264 -0.047 -3.814 1.00 2.44 O ATOM 395 CB LEU A 404 3.294 1.321 -6.727 1.00 53.33 C ATOM 396 CG LEU A 404 1.948 1.355 -5.981 1.00 52.12 C ATOM 397 CD1 LEU A 404 1.796 2.630 -5.145 1.00 4.45 C ATOM 398 CD2 LEU A 404 0.817 1.302 -7.016 1.00 73.24 C ATOM 0 HA LEU A 404 4.493 2.078 -5.119 1.00 1.13 H new ATOM 0 HB2 LEU A 404 3.374 2.214 -7.346 1.00 53.33 H new ATOM 0 HB3 LEU A 404 3.299 0.464 -7.401 1.00 53.33 H new ATOM 0 HG LEU A 404 1.906 0.501 -5.305 1.00 52.12 H new ATOM 0 HD11 LEU A 404 0.834 2.617 -4.634 1.00 4.45 H new ATOM 0 HD12 LEU A 404 2.598 2.680 -4.408 1.00 4.45 H new ATOM 0 HD13 LEU A 404 1.848 3.501 -5.798 1.00 4.45 H new ATOM 0 HD21 LEU A 404 -0.145 1.325 -6.505 1.00 73.24 H new ATOM 0 HD22 LEU A 404 0.894 2.160 -7.683 1.00 73.24 H new ATOM 0 HD23 LEU A 404 0.898 0.383 -7.596 1.00 73.24 H new ATOM 409 N ASP A 405 4.915 -1.168 -5.660 1.00 65.43 N ATOM 410 CA ASP A 405 5.000 -2.478 -5.028 1.00 20.44 C ATOM 411 C ASP A 405 6.129 -2.508 -3.983 1.00 42.25 C ATOM 412 O ASP A 405 6.024 -3.160 -2.942 1.00 70.44 O ATOM 413 CB ASP A 405 5.204 -3.563 -6.089 1.00 4.52 C ATOM 414 CG ASP A 405 5.192 -4.933 -5.419 1.00 21.25 C ATOM 415 OD1 ASP A 405 4.085 -5.413 -5.075 1.00 14.04 O ATOM 416 OD2 ASP A 405 6.283 -5.518 -5.231 1.00 61.45 O ATOM 0 H ASP A 405 5.159 -1.177 -6.650 1.00 65.43 H new ATOM 0 HA ASP A 405 4.062 -2.676 -4.509 1.00 20.44 H new ATOM 0 HB2 ASP A 405 4.416 -3.506 -6.840 1.00 4.52 H new ATOM 0 HB3 ASP A 405 6.150 -3.407 -6.607 1.00 4.52 H new ATOM 420 N ALA A 406 7.211 -1.767 -4.240 1.00 10.41 N ATOM 421 CA ALA A 406 8.369 -1.669 -3.359 1.00 24.14 C ATOM 422 C ALA A 406 8.099 -0.771 -2.137 1.00 4.21 C ATOM 423 O ALA A 406 8.978 -0.624 -1.287 1.00 42.21 O ATOM 424 CB ALA A 406 9.572 -1.153 -4.158 1.00 73.42 C ATOM 0 H ALA A 406 7.304 -1.207 -5.087 1.00 10.41 H new ATOM 0 HA ALA A 406 8.585 -2.665 -2.971 1.00 24.14 H new ATOM 0 HB1 ALA A 406 10.439 -1.079 -3.502 1.00 73.42 H new ATOM 0 HB2 ALA A 406 9.791 -1.843 -4.972 1.00 73.42 H new ATOM 0 HB3 ALA A 406 9.342 -0.170 -4.568 1.00 73.42 H new ATOM 430 N MET A 407 6.921 -0.147 -2.030 1.00 64.12 N ATOM 431 CA MET A 407 6.537 0.728 -0.917 1.00 51.45 C ATOM 432 C MET A 407 5.641 0.002 0.101 1.00 25.22 C ATOM 433 O MET A 407 5.117 0.631 1.027 1.00 5.23 O ATOM 434 CB MET A 407 5.906 2.015 -1.477 1.00 40.15 C ATOM 435 CG MET A 407 6.980 2.924 -2.083 1.00 35.33 C ATOM 436 SD MET A 407 6.351 4.357 -3.005 1.00 41.24 S ATOM 437 CE MET A 407 5.674 5.349 -1.649 1.00 42.02 C ATOM 0 H MET A 407 6.189 -0.239 -2.734 1.00 64.12 H new ATOM 0 HA MET A 407 7.427 1.011 -0.355 1.00 51.45 H new ATOM 0 HB2 MET A 407 5.165 1.763 -2.236 1.00 40.15 H new ATOM 0 HB3 MET A 407 5.380 2.544 -0.682 1.00 40.15 H new ATOM 0 HG2 MET A 407 7.624 3.283 -1.280 1.00 35.33 H new ATOM 0 HG3 MET A 407 7.603 2.328 -2.750 1.00 35.33 H new ATOM 0 HE1 MET A 407 5.263 6.277 -2.047 1.00 42.02 H new ATOM 0 HE2 MET A 407 4.885 4.789 -1.147 1.00 42.02 H new ATOM 0 HE3 MET A 407 6.466 5.579 -0.936 1.00 42.02 H new ATOM 445 N PHE A 408 5.453 -1.312 -0.056 1.00 24.13 N ATOM 446 CA PHE A 408 4.645 -2.129 0.837 1.00 72.11 C ATOM 447 C PHE A 408 5.543 -3.085 1.635 1.00 21.23 C ATOM 448 O PHE A 408 6.548 -3.551 1.095 1.00 64.25 O ATOM 449 CB PHE A 408 3.635 -2.943 0.038 1.00 3.02 C ATOM 450 CG PHE A 408 2.629 -2.160 -0.764 1.00 73.50 C ATOM 451 CD1 PHE A 408 1.641 -1.396 -0.119 1.00 44.15 C ATOM 452 CD2 PHE A 408 2.652 -2.251 -2.164 1.00 13.15 C ATOM 453 CE1 PHE A 408 0.667 -0.739 -0.887 1.00 21.11 C ATOM 454 CE2 PHE A 408 1.698 -1.570 -2.934 1.00 73.34 C ATOM 455 CZ PHE A 408 0.689 -0.843 -2.287 1.00 43.34 C ATOM 0 H PHE A 408 5.868 -1.841 -0.823 1.00 24.13 H new ATOM 0 HA PHE A 408 4.115 -1.468 1.523 1.00 72.11 H new ATOM 0 HB2 PHE A 408 4.183 -3.594 -0.643 1.00 3.02 H new ATOM 0 HB3 PHE A 408 3.093 -3.589 0.729 1.00 3.02 H new ATOM 0 HD1 PHE A 408 1.631 -1.315 0.958 1.00 44.15 H new ATOM 0 HD2 PHE A 408 3.408 -2.849 -2.651 1.00 13.15 H new ATOM 0 HE1 PHE A 408 -0.099 -0.153 -0.401 1.00 21.11 H new ATOM 0 HE2 PHE A 408 1.740 -1.605 -4.013 1.00 73.34 H new ATOM 0 HZ PHE A 408 -0.079 -0.358 -2.871 1.00 43.34 H new ATOM 464 N PRO A 409 5.163 -3.436 2.877 1.00 33.25 N ATOM 465 CA PRO A 409 5.927 -4.322 3.747 1.00 1.24 C ATOM 466 C PRO A 409 5.856 -5.797 3.335 1.00 4.02 C ATOM 467 O PRO A 409 4.994 -6.208 2.549 1.00 43.11 O ATOM 468 CB PRO A 409 5.322 -4.125 5.145 1.00 10.15 C ATOM 469 CG PRO A 409 3.869 -3.784 4.833 1.00 65.31 C ATOM 470 CD PRO A 409 3.999 -2.927 3.582 1.00 22.13 C ATOM 0 HA PRO A 409 6.987 -4.073 3.698 1.00 1.24 H new ATOM 0 HB2 PRO A 409 5.405 -5.026 5.753 1.00 10.15 H new ATOM 0 HB3 PRO A 409 5.818 -3.323 5.692 1.00 10.15 H new ATOM 0 HG2 PRO A 409 3.271 -4.677 4.654 1.00 65.31 H new ATOM 0 HG3 PRO A 409 3.394 -3.241 5.650 1.00 65.31 H new ATOM 0 HD2 PRO A 409 3.104 -2.998 2.964 1.00 22.13 H new ATOM 0 HD3 PRO A 409 4.126 -1.875 3.839 1.00 22.13 H new ATOM 475 N GLU A 410 6.742 -6.613 3.907 1.00 43.20 N ATOM 476 CA GLU A 410 6.845 -8.048 3.673 1.00 50.14 C ATOM 477 C GLU A 410 5.837 -8.811 4.550 1.00 43.33 C ATOM 478 O GLU A 410 5.358 -8.305 5.554 1.00 43.33 O ATOM 479 CB GLU A 410 8.304 -8.484 3.876 1.00 72.12 C ATOM 480 CG GLU A 410 9.193 -7.998 2.713 1.00 22.41 C ATOM 481 CD GLU A 410 10.697 -8.252 2.871 1.00 40.15 C ATOM 482 OE1 GLU A 410 11.177 -8.708 3.932 1.00 32.40 O ATOM 483 OE2 GLU A 410 11.456 -7.927 1.927 1.00 3.15 O ATOM 0 H GLU A 410 7.436 -6.274 4.574 1.00 43.20 H new ATOM 0 HA GLU A 410 6.578 -8.292 2.645 1.00 50.14 H new ATOM 0 HB2 GLU A 410 8.679 -8.083 4.818 1.00 72.12 H new ATOM 0 HB3 GLU A 410 8.356 -9.570 3.949 1.00 72.12 H new ATOM 0 HG2 GLU A 410 8.856 -8.482 1.796 1.00 22.41 H new ATOM 0 HG3 GLU A 410 9.036 -6.927 2.584 1.00 22.41 H new ATOM 488 N GLY A 411 5.493 -10.040 4.191 1.00 40.30 N ATOM 489 CA GLY A 411 4.523 -10.904 4.874 1.00 25.01 C ATOM 490 C GLY A 411 3.117 -10.824 4.295 1.00 32.10 C ATOM 491 O GLY A 411 2.162 -11.256 4.937 1.00 35.22 O ATOM 0 H GLY A 411 5.901 -10.491 3.372 1.00 40.30 H new ATOM 0 HA2 GLY A 411 4.870 -11.936 4.822 1.00 25.01 H new ATOM 0 HA3 GLY A 411 4.488 -10.632 5.929 1.00 25.01 H new ATOM 495 N TYR A 412 3.001 -10.301 3.076 1.00 43.44 N ATOM 496 CA TYR A 412 1.774 -10.111 2.306 1.00 45.31 C ATOM 497 C TYR A 412 2.063 -10.642 0.902 1.00 63.23 C ATOM 498 O TYR A 412 3.234 -10.713 0.507 1.00 3.01 O ATOM 499 CB TYR A 412 1.373 -8.626 2.206 1.00 42.52 C ATOM 500 CG TYR A 412 1.145 -7.826 3.492 1.00 64.22 C ATOM 501 CD1 TYR A 412 2.213 -7.547 4.370 1.00 74.00 C ATOM 502 CD2 TYR A 412 -0.123 -7.272 3.767 1.00 13.32 C ATOM 503 CE1 TYR A 412 2.009 -6.794 5.536 1.00 14.12 C ATOM 504 CE2 TYR A 412 -0.344 -6.524 4.936 1.00 2.23 C ATOM 505 CZ TYR A 412 0.724 -6.284 5.832 1.00 73.11 C ATOM 506 OH TYR A 412 0.512 -5.501 6.926 1.00 23.23 O ATOM 0 H TYR A 412 3.821 -9.976 2.564 1.00 43.44 H new ATOM 0 HA TYR A 412 0.950 -10.632 2.795 1.00 45.31 H new ATOM 0 HB2 TYR A 412 2.148 -8.115 1.634 1.00 42.52 H new ATOM 0 HB3 TYR A 412 0.456 -8.572 1.619 1.00 42.52 H new ATOM 0 HD1 TYR A 412 3.201 -7.918 4.142 1.00 74.00 H new ATOM 0 HD2 TYR A 412 -0.934 -7.425 3.070 1.00 13.32 H new ATOM 0 HE1 TYR A 412 2.833 -6.604 6.207 1.00 14.12 H new ATOM 0 HE2 TYR A 412 -1.328 -6.133 5.150 1.00 2.23 H new ATOM 0 HH TYR A 412 -0.433 -5.243 6.966 1.00 23.23 H new ATOM 515 N LYS A 413 1.025 -11.005 0.144 1.00 14.04 N ATOM 516 CA LYS A 413 1.154 -11.525 -1.214 1.00 44.04 C ATOM 517 C LYS A 413 0.327 -10.659 -2.162 1.00 52.32 C ATOM 518 O LYS A 413 -0.748 -10.180 -1.773 1.00 62.41 O ATOM 519 CB LYS A 413 0.801 -13.028 -1.246 1.00 72.11 C ATOM 520 CG LYS A 413 1.664 -13.810 -2.258 1.00 31.13 C ATOM 521 CD LYS A 413 0.949 -14.189 -3.563 1.00 2.32 C ATOM 522 CE LYS A 413 0.033 -15.408 -3.412 1.00 62.24 C ATOM 523 NZ LYS A 413 0.796 -16.650 -3.169 1.00 10.04 N ATOM 0 H LYS A 413 0.058 -10.944 0.464 1.00 14.04 H new ATOM 0 HA LYS A 413 2.186 -11.465 -1.561 1.00 44.04 H new ATOM 0 HB2 LYS A 413 0.937 -13.452 -0.251 1.00 72.11 H new ATOM 0 HB3 LYS A 413 -0.252 -13.146 -1.502 1.00 72.11 H new ATOM 0 HG2 LYS A 413 2.542 -13.212 -2.503 1.00 31.13 H new ATOM 0 HG3 LYS A 413 2.022 -14.721 -1.779 1.00 31.13 H new ATOM 0 HD2 LYS A 413 0.360 -13.339 -3.908 1.00 2.32 H new ATOM 0 HD3 LYS A 413 1.693 -14.394 -4.332 1.00 2.32 H new ATOM 0 HE2 LYS A 413 -0.659 -15.241 -2.587 1.00 62.24 H new ATOM 0 HE3 LYS A 413 -0.568 -15.523 -4.314 1.00 62.24 H new ATOM 0 HZ1 LYS A 413 0.174 -17.472 -3.308 1.00 10.04 H new ATOM 0 HZ2 LYS A 413 1.594 -16.703 -3.834 1.00 10.04 H new ATOM 0 HZ3 LYS A 413 1.157 -16.650 -2.194 1.00 10.04 H new ATOM 533 N VAL A 414 0.811 -10.459 -3.392 1.00 35.14 N ATOM 534 CA VAL A 414 0.136 -9.642 -4.400 1.00 21.03 C ATOM 535 C VAL A 414 -1.118 -10.386 -4.847 1.00 4.33 C ATOM 536 O VAL A 414 -1.133 -11.616 -4.940 1.00 33.34 O ATOM 537 CB VAL A 414 1.078 -9.350 -5.591 1.00 22.40 C ATOM 538 CG1 VAL A 414 0.433 -8.374 -6.593 1.00 70.02 C ATOM 539 CG2 VAL A 414 2.411 -8.718 -5.157 1.00 15.23 C ATOM 0 H VAL A 414 1.689 -10.864 -3.716 1.00 35.14 H new ATOM 0 HA VAL A 414 -0.144 -8.676 -3.979 1.00 21.03 H new ATOM 0 HB VAL A 414 1.261 -10.323 -6.048 1.00 22.40 H new ATOM 0 HG11 VAL A 414 1.122 -8.191 -7.417 1.00 70.02 H new ATOM 0 HG12 VAL A 414 -0.489 -8.807 -6.980 1.00 70.02 H new ATOM 0 HG13 VAL A 414 0.209 -7.433 -6.091 1.00 70.02 H new ATOM 0 HG21 VAL A 414 3.030 -8.536 -6.035 1.00 15.23 H new ATOM 0 HG22 VAL A 414 2.217 -7.774 -4.647 1.00 15.23 H new ATOM 0 HG23 VAL A 414 2.932 -9.395 -4.480 1.00 15.23 H new ATOM 549 N LEU A 415 -2.186 -9.639 -5.124 1.00 33.14 N ATOM 550 CA LEU A 415 -3.462 -10.181 -5.567 1.00 44.10 C ATOM 551 C LEU A 415 -3.946 -9.303 -6.732 1.00 73.20 C ATOM 552 O LEU A 415 -4.718 -8.366 -6.501 1.00 43.00 O ATOM 553 CB LEU A 415 -4.389 -10.233 -4.344 1.00 51.11 C ATOM 554 CG LEU A 415 -5.757 -10.874 -4.610 1.00 22.50 C ATOM 555 CD1 LEU A 415 -5.691 -12.356 -4.964 1.00 13.11 C ATOM 556 CD2 LEU A 415 -6.632 -10.698 -3.365 1.00 4.31 C ATOM 0 H LEU A 415 -2.185 -8.622 -5.044 1.00 33.14 H new ATOM 0 HA LEU A 415 -3.415 -11.200 -5.951 1.00 44.10 H new ATOM 0 HB2 LEU A 415 -3.890 -10.788 -3.549 1.00 51.11 H new ATOM 0 HB3 LEU A 415 -4.542 -9.218 -3.977 1.00 51.11 H new ATOM 0 HG LEU A 415 -6.177 -10.368 -5.479 1.00 22.50 H new ATOM 0 HD11 LEU A 415 -6.699 -12.734 -5.137 1.00 13.11 H new ATOM 0 HD12 LEU A 415 -5.094 -12.488 -5.866 1.00 13.11 H new ATOM 0 HD13 LEU A 415 -5.233 -12.906 -4.142 1.00 13.11 H new ATOM 0 HD21 LEU A 415 -7.609 -11.149 -3.540 1.00 4.31 H new ATOM 0 HD22 LEU A 415 -6.155 -11.183 -2.514 1.00 4.31 H new ATOM 0 HD23 LEU A 415 -6.756 -9.636 -3.154 1.00 4.31 H new ATOM 567 N PRO A 416 -3.426 -9.535 -7.957 1.00 15.12 N ATOM 568 CA PRO A 416 -3.784 -8.782 -9.166 1.00 5.44 C ATOM 569 C PRO A 416 -5.281 -8.882 -9.510 1.00 24.01 C ATOM 570 O PRO A 416 -5.967 -9.723 -8.916 1.00 11.32 O ATOM 571 CB PRO A 416 -2.954 -9.404 -10.301 1.00 72.04 C ATOM 572 CG PRO A 416 -1.838 -10.165 -9.600 1.00 22.33 C ATOM 573 CD PRO A 416 -2.506 -10.610 -8.304 1.00 64.44 C ATOM 0 HA PRO A 416 -3.580 -7.722 -9.017 1.00 5.44 H new ATOM 0 HB2 PRO A 416 -3.561 -10.070 -10.915 1.00 72.04 H new ATOM 0 HB3 PRO A 416 -2.553 -8.637 -10.963 1.00 72.04 H new ATOM 0 HG2 PRO A 416 -1.492 -11.013 -10.190 1.00 22.33 H new ATOM 0 HG3 PRO A 416 -0.970 -9.532 -9.413 1.00 22.33 H new ATOM 0 HD2 PRO A 416 -3.036 -11.553 -8.438 1.00 64.44 H new ATOM 0 HD3 PRO A 416 -1.770 -10.767 -7.516 1.00 64.44 H new ATOM 578 N PRO A 417 -5.787 -8.099 -10.484 1.00 53.24 N ATOM 579 CA PRO A 417 -7.188 -8.126 -10.916 1.00 43.10 C ATOM 580 C PRO A 417 -7.672 -9.542 -11.291 1.00 64.14 C ATOM 581 O PRO A 417 -6.835 -10.417 -11.546 1.00 12.02 O ATOM 582 CB PRO A 417 -7.276 -7.195 -12.130 1.00 25.41 C ATOM 583 CG PRO A 417 -6.108 -6.235 -11.942 1.00 33.22 C ATOM 584 CD PRO A 417 -5.059 -7.083 -11.230 1.00 51.51 C ATOM 0 HA PRO A 417 -7.833 -7.804 -10.098 1.00 43.10 H new ATOM 0 HB2 PRO A 417 -7.191 -7.749 -13.065 1.00 25.41 H new ATOM 0 HB3 PRO A 417 -8.228 -6.665 -12.159 1.00 25.41 H new ATOM 0 HG2 PRO A 417 -5.740 -5.860 -12.897 1.00 33.22 H new ATOM 0 HG3 PRO A 417 -6.394 -5.367 -11.347 1.00 33.22 H new ATOM 0 HD2 PRO A 417 -4.378 -7.541 -11.947 1.00 51.51 H new ATOM 0 HD3 PRO A 417 -4.453 -6.471 -10.562 1.00 51.51 H new ATOM 589 N PRO A 418 -8.996 -9.788 -11.354 1.00 34.31 N ATOM 590 CA PRO A 418 -9.561 -11.091 -11.705 1.00 21.13 C ATOM 591 C PRO A 418 -8.895 -11.721 -12.935 1.00 63.13 C ATOM 592 O PRO A 418 -8.665 -11.046 -13.943 1.00 55.40 O ATOM 593 CB PRO A 418 -11.054 -10.836 -11.952 1.00 74.43 C ATOM 594 CG PRO A 418 -11.357 -9.649 -11.038 1.00 73.04 C ATOM 595 CD PRO A 418 -10.065 -8.833 -11.079 1.00 25.24 C ATOM 0 HA PRO A 418 -9.392 -11.809 -10.902 1.00 21.13 H new ATOM 0 HB2 PRO A 418 -11.256 -10.602 -12.997 1.00 74.43 H new ATOM 0 HB3 PRO A 418 -11.659 -11.706 -11.697 1.00 74.43 H new ATOM 0 HG2 PRO A 418 -12.209 -9.072 -11.398 1.00 73.04 H new ATOM 0 HG3 PRO A 418 -11.596 -9.972 -10.025 1.00 73.04 H new ATOM 0 HD2 PRO A 418 -10.112 -8.066 -11.852 1.00 25.24 H new ATOM 0 HD3 PRO A 418 -9.897 -8.321 -10.132 1.00 25.24 H new ATOM 826 N VAL B 17 -3.521 12.739 4.045 1.00 24.40 N ATOM 827 CA VAL B 17 -4.224 12.034 2.974 1.00 64.41 C ATOM 828 C VAL B 17 -3.205 11.662 1.886 1.00 51.32 C ATOM 829 O VAL B 17 -2.527 12.540 1.345 1.00 3.14 O ATOM 830 CB VAL B 17 -5.371 12.899 2.394 1.00 70.40 C ATOM 831 CG1 VAL B 17 -6.253 12.096 1.421 1.00 23.22 C ATOM 832 CG2 VAL B 17 -6.270 13.492 3.491 1.00 60.13 C ATOM 0 HA VAL B 17 -4.682 11.128 3.371 1.00 64.41 H new ATOM 0 HB VAL B 17 -4.882 13.713 1.859 1.00 70.40 H new ATOM 0 HG11 VAL B 17 -7.046 12.737 1.035 1.00 23.22 H new ATOM 0 HG12 VAL B 17 -5.644 11.734 0.593 1.00 23.22 H new ATOM 0 HG13 VAL B 17 -6.694 11.248 1.945 1.00 23.22 H new ATOM 0 HG21 VAL B 17 -7.058 14.089 3.032 1.00 60.13 H new ATOM 0 HG22 VAL B 17 -6.718 12.685 4.070 1.00 60.13 H new ATOM 0 HG23 VAL B 17 -5.673 14.123 4.149 1.00 60.13 H new ATOM 842 N ASN B 18 -3.092 10.371 1.566 1.00 53.51 N ATOM 843 CA ASN B 18 -2.210 9.820 0.538 1.00 42.21 C ATOM 844 C ASN B 18 -3.016 8.760 -0.221 1.00 45.12 C ATOM 845 O ASN B 18 -3.985 8.224 0.320 1.00 23.42 O ATOM 846 CB ASN B 18 -0.934 9.217 1.155 1.00 3.32 C ATOM 847 CG ASN B 18 0.109 8.872 0.089 1.00 55.34 C ATOM 848 OD1 ASN B 18 -0.052 7.932 -0.688 1.00 74.51 O ATOM 849 ND2 ASN B 18 1.168 9.651 -0.037 1.00 45.24 N ATOM 0 H ASN B 18 -3.638 9.650 2.038 1.00 53.51 H new ATOM 0 HA ASN B 18 -1.875 10.606 -0.139 1.00 42.21 H new ATOM 0 HB2 ASN B 18 -0.506 9.924 1.866 1.00 3.32 H new ATOM 0 HB3 ASN B 18 -1.192 8.318 1.715 1.00 3.32 H new ATOM 0 HD21 ASN B 18 1.848 9.472 -0.776 1.00 45.24 H new ATOM 0 HD22 ASN B 18 1.306 10.432 0.605 1.00 45.24 H new ATOM 855 N ARG B 19 -2.663 8.471 -1.479 1.00 23.21 N ATOM 856 CA ARG B 19 -3.353 7.470 -2.293 1.00 73.15 C ATOM 857 C ARG B 19 -3.242 6.064 -1.694 1.00 53.23 C ATOM 858 O ARG B 19 -4.086 5.218 -1.985 1.00 51.02 O ATOM 859 CB ARG B 19 -2.770 7.431 -3.718 1.00 71.14 C ATOM 860 CG ARG B 19 -3.139 8.627 -4.620 1.00 23.42 C ATOM 861 CD ARG B 19 -1.905 9.363 -5.149 1.00 54.10 C ATOM 862 NE ARG B 19 -2.149 9.987 -6.459 1.00 14.23 N ATOM 863 CZ ARG B 19 -1.220 10.624 -7.183 1.00 1.02 C ATOM 864 NH1 ARG B 19 -0.007 10.845 -6.683 1.00 52.21 N ATOM 865 NH2 ARG B 19 -1.496 11.037 -8.413 1.00 13.24 N ATOM 0 H ARG B 19 -1.888 8.928 -1.960 1.00 23.21 H new ATOM 0 HA ARG B 19 -4.402 7.764 -2.318 1.00 73.15 H new ATOM 0 HB2 ARG B 19 -1.684 7.374 -3.646 1.00 71.14 H new ATOM 0 HB3 ARG B 19 -3.105 6.515 -4.204 1.00 71.14 H new ATOM 0 HG2 ARG B 19 -3.736 8.274 -5.461 1.00 23.42 H new ATOM 0 HG3 ARG B 19 -3.761 9.324 -4.058 1.00 23.42 H new ATOM 0 HD2 ARG B 19 -1.607 10.129 -4.433 1.00 54.10 H new ATOM 0 HD3 ARG B 19 -1.074 8.663 -5.231 1.00 54.10 H new ATOM 0 HE ARG B 19 -3.092 9.930 -6.843 1.00 14.23 H new ATOM 0 HH11 ARG B 19 0.222 10.528 -5.741 1.00 52.21 H new ATOM 0 HH12 ARG B 19 0.694 11.331 -7.242 1.00 52.21 H new ATOM 0 HH21 ARG B 19 -2.420 10.870 -8.812 1.00 13.24 H new ATOM 0 HH22 ARG B 19 -0.784 11.522 -8.960 1.00 13.24 H new ATOM 876 N ILE B 20 -2.193 5.788 -0.916 1.00 41.10 N ATOM 877 CA ILE B 20 -1.976 4.486 -0.304 1.00 1.44 C ATOM 878 C ILE B 20 -2.831 4.423 0.967 1.00 13.51 C ATOM 879 O ILE B 20 -2.575 5.150 1.934 1.00 51.41 O ATOM 880 CB ILE B 20 -0.466 4.275 -0.025 1.00 21.13 C ATOM 881 CG1 ILE B 20 0.396 4.439 -1.302 1.00 63.41 C ATOM 882 CG2 ILE B 20 -0.217 2.867 0.544 1.00 4.21 C ATOM 883 CD1 ILE B 20 1.900 4.551 -1.019 1.00 2.14 C ATOM 0 H ILE B 20 -1.468 6.470 -0.695 1.00 41.10 H new ATOM 0 HA ILE B 20 -2.278 3.676 -0.968 1.00 1.44 H new ATOM 0 HB ILE B 20 -0.175 5.039 0.696 1.00 21.13 H new ATOM 0 HG12 ILE B 20 0.221 3.588 -1.960 1.00 63.41 H new ATOM 0 HG13 ILE B 20 0.069 5.329 -1.839 1.00 63.41 H new ATOM 0 HG21 ILE B 20 0.848 2.735 0.734 1.00 4.21 H new ATOM 0 HG22 ILE B 20 -0.770 2.748 1.476 1.00 4.21 H new ATOM 0 HG23 ILE B 20 -0.553 2.119 -0.175 1.00 4.21 H new ATOM 0 HD11 ILE B 20 2.440 4.663 -1.959 1.00 2.14 H new ATOM 0 HD12 ILE B 20 2.088 5.419 -0.387 1.00 2.14 H new ATOM 0 HD13 ILE B 20 2.242 3.650 -0.510 1.00 2.14 H new ATOM 894 N LEU B 21 -3.819 3.523 0.983 1.00 72.30 N ATOM 895 CA LEU B 21 -4.725 3.309 2.107 1.00 2.21 C ATOM 896 C LEU B 21 -4.404 1.968 2.766 1.00 41.32 C ATOM 897 O LEU B 21 -3.835 1.071 2.137 1.00 24.24 O ATOM 898 CB LEU B 21 -6.194 3.336 1.643 1.00 3.34 C ATOM 899 CG LEU B 21 -6.620 4.593 0.856 1.00 34.31 C ATOM 900 CD1 LEU B 21 -8.108 4.487 0.520 1.00 23.23 C ATOM 901 CD2 LEU B 21 -6.379 5.887 1.634 1.00 5.53 C ATOM 0 H LEU B 21 -4.013 2.909 0.192 1.00 72.30 H new ATOM 0 HA LEU B 21 -4.587 4.114 2.829 1.00 2.21 H new ATOM 0 HB2 LEU B 21 -6.376 2.460 1.020 1.00 3.34 H new ATOM 0 HB3 LEU B 21 -6.835 3.243 2.519 1.00 3.34 H new ATOM 0 HG LEU B 21 -6.011 4.636 -0.047 1.00 34.31 H new ATOM 0 HD11 LEU B 21 -8.419 5.371 -0.037 1.00 23.23 H new ATOM 0 HD12 LEU B 21 -8.282 3.597 -0.085 1.00 23.23 H new ATOM 0 HD13 LEU B 21 -8.685 4.417 1.442 1.00 23.23 H new ATOM 0 HD21 LEU B 21 -6.697 6.738 1.032 1.00 5.53 H new ATOM 0 HD22 LEU B 21 -6.950 5.865 2.562 1.00 5.53 H new ATOM 0 HD23 LEU B 21 -5.318 5.981 1.863 1.00 5.53 H new ATOM 912 N TYR B 22 -4.818 1.804 4.016 1.00 14.24 N ATOM 913 CA TYR B 22 -4.640 0.633 4.865 1.00 0.21 C ATOM 914 C TYR B 22 -6.022 0.265 5.397 1.00 62.10 C ATOM 915 O TYR B 22 -6.767 1.152 5.831 1.00 51.43 O ATOM 916 CB TYR B 22 -3.670 0.999 5.987 1.00 53.34 C ATOM 917 CG TYR B 22 -3.538 -0.021 7.098 1.00 12.04 C ATOM 918 CD1 TYR B 22 -3.190 -1.355 6.820 1.00 34.22 C ATOM 919 CD2 TYR B 22 -3.739 0.384 8.428 1.00 53.43 C ATOM 920 CE1 TYR B 22 -3.023 -2.283 7.865 1.00 3.41 C ATOM 921 CE2 TYR B 22 -3.600 -0.537 9.472 1.00 22.45 C ATOM 922 CZ TYR B 22 -3.237 -1.874 9.199 1.00 30.45 C ATOM 923 OH TYR B 22 -3.078 -2.737 10.242 1.00 3.50 O ATOM 0 H TYR B 22 -5.326 2.544 4.500 1.00 14.24 H new ATOM 0 HA TYR B 22 -4.222 -0.221 4.332 1.00 0.21 H new ATOM 0 HB2 TYR B 22 -2.685 1.164 5.551 1.00 53.34 H new ATOM 0 HB3 TYR B 22 -3.988 1.946 6.424 1.00 53.34 H new ATOM 0 HD1 TYR B 22 -3.050 -1.670 5.796 1.00 34.22 H new ATOM 0 HD2 TYR B 22 -4.001 1.409 8.645 1.00 53.43 H new ATOM 0 HE1 TYR B 22 -2.733 -3.300 7.648 1.00 3.41 H new ATOM 0 HE2 TYR B 22 -3.771 -0.224 10.491 1.00 22.45 H new ATOM 0 HH TYR B 22 -2.397 -3.404 10.014 1.00 3.50 H new ATOM 932 N ILE B 23 -6.355 -1.024 5.375 1.00 50.24 N ATOM 933 CA ILE B 23 -7.635 -1.592 5.785 1.00 61.54 C ATOM 934 C ILE B 23 -7.426 -2.606 6.918 1.00 24.40 C ATOM 935 O ILE B 23 -6.365 -3.232 7.022 1.00 1.51 O ATOM 936 CB ILE B 23 -8.291 -2.230 4.532 1.00 3.44 C ATOM 937 CG1 ILE B 23 -8.267 -1.328 3.269 1.00 1.33 C ATOM 938 CG2 ILE B 23 -9.733 -2.669 4.816 1.00 71.14 C ATOM 939 CD1 ILE B 23 -9.009 0.010 3.393 1.00 62.43 C ATOM 0 H ILE B 23 -5.702 -1.738 5.053 1.00 50.24 H new ATOM 0 HA ILE B 23 -8.300 -0.824 6.179 1.00 61.54 H new ATOM 0 HB ILE B 23 -7.673 -3.100 4.311 1.00 3.44 H new ATOM 0 HG12 ILE B 23 -7.228 -1.124 3.011 1.00 1.33 H new ATOM 0 HG13 ILE B 23 -8.698 -1.886 2.438 1.00 1.33 H new ATOM 0 HG21 ILE B 23 -10.162 -3.112 3.917 1.00 71.14 H new ATOM 0 HG22 ILE B 23 -9.738 -3.405 5.620 1.00 71.14 H new ATOM 0 HG23 ILE B 23 -10.325 -1.803 5.113 1.00 71.14 H new ATOM 0 HD11 ILE B 23 -8.928 0.559 2.455 1.00 62.43 H new ATOM 0 HD12 ILE B 23 -10.060 -0.176 3.616 1.00 62.43 H new ATOM 0 HD13 ILE B 23 -8.566 0.598 4.197 1.00 62.43 H new ATOM 950 N ARG B 24 -8.455 -2.790 7.753 1.00 21.51 N ATOM 951 CA ARG B 24 -8.490 -3.683 8.914 1.00 34.32 C ATOM 952 C ARG B 24 -9.864 -4.347 9.073 1.00 43.31 C ATOM 953 O ARG B 24 -10.832 -3.884 8.473 1.00 44.04 O ATOM 954 CB ARG B 24 -8.169 -2.882 10.186 1.00 35.02 C ATOM 955 CG ARG B 24 -6.708 -2.443 10.353 1.00 43.21 C ATOM 956 CD ARG B 24 -6.523 -1.805 11.736 1.00 33.35 C ATOM 957 NE ARG B 24 -5.109 -1.696 12.120 1.00 64.03 N ATOM 958 CZ ARG B 24 -4.641 -0.937 13.117 1.00 35.05 C ATOM 959 NH1 ARG B 24 -5.466 -0.314 13.948 1.00 53.33 N ATOM 960 NH2 ARG B 24 -3.339 -0.765 13.292 1.00 53.24 N ATOM 0 H ARG B 24 -9.335 -2.290 7.628 1.00 21.51 H new ATOM 0 HA ARG B 24 -7.747 -4.465 8.758 1.00 34.32 H new ATOM 0 HB2 ARG B 24 -8.799 -1.993 10.200 1.00 35.02 H new ATOM 0 HB3 ARG B 24 -8.448 -3.484 11.051 1.00 35.02 H new ATOM 0 HG2 ARG B 24 -6.044 -3.301 10.244 1.00 43.21 H new ATOM 0 HG3 ARG B 24 -6.439 -1.731 9.573 1.00 43.21 H new ATOM 0 HD2 ARG B 24 -6.974 -0.813 11.738 1.00 33.35 H new ATOM 0 HD3 ARG B 24 -7.054 -2.398 12.480 1.00 33.35 H new ATOM 0 HE ARG B 24 -4.432 -2.241 11.585 1.00 64.03 H new ATOM 0 HH11 ARG B 24 -6.475 -0.410 13.832 1.00 53.33 H new ATOM 0 HH12 ARG B 24 -5.092 0.261 14.703 1.00 53.33 H new ATOM 0 HH21 ARG B 24 -2.676 -1.215 12.661 1.00 53.24 H new ATOM 0 HH22 ARG B 24 -3.000 -0.183 14.058 1.00 53.24 H new ATOM 971 N ASN B 25 -9.945 -5.420 9.876 1.00 23.12 N ATOM 972 CA ASN B 25 -11.142 -6.218 10.207 1.00 53.40 C ATOM 973 C ASN B 25 -11.778 -6.943 9.016 1.00 21.42 C ATOM 974 O ASN B 25 -12.977 -7.223 9.003 1.00 31.43 O ATOM 975 CB ASN B 25 -12.156 -5.368 10.992 1.00 21.30 C ATOM 976 CG ASN B 25 -13.162 -6.164 11.826 1.00 41.25 C ATOM 977 OD1 ASN B 25 -13.179 -7.394 11.889 1.00 52.25 O ATOM 978 ND2 ASN B 25 -14.033 -5.438 12.504 1.00 75.42 N ATOM 0 H ASN B 25 -9.115 -5.781 10.347 1.00 23.12 H new ATOM 0 HA ASN B 25 -10.798 -7.029 10.849 1.00 53.40 H new ATOM 0 HB2 ASN B 25 -11.609 -4.697 11.654 1.00 21.30 H new ATOM 0 HB3 ASN B 25 -12.705 -4.743 10.288 1.00 21.30 H new ATOM 0 HD21 ASN B 25 -14.732 -5.895 13.090 1.00 75.42 H new ATOM 0 HD22 ASN B 25 -14.007 -4.420 12.442 1.00 75.42 H new ATOM 984 N LEU B 26 -10.992 -7.223 7.981 1.00 72.22 N ATOM 985 CA LEU B 26 -11.458 -7.910 6.781 1.00 20.45 C ATOM 986 C LEU B 26 -11.648 -9.407 7.025 1.00 45.15 C ATOM 987 O LEU B 26 -10.993 -9.964 7.910 1.00 34.41 O ATOM 988 CB LEU B 26 -10.392 -7.763 5.685 1.00 52.30 C ATOM 989 CG LEU B 26 -10.266 -6.333 5.151 1.00 2.25 C ATOM 990 CD1 LEU B 26 -8.970 -6.237 4.341 1.00 3.04 C ATOM 991 CD2 LEU B 26 -11.501 -5.980 4.312 1.00 60.24 C ATOM 0 H LEU B 26 -10.003 -6.977 7.952 1.00 72.22 H new ATOM 0 HA LEU B 26 -12.412 -7.467 6.493 1.00 20.45 H new ATOM 0 HB2 LEU B 26 -9.428 -8.082 6.080 1.00 52.30 H new ATOM 0 HB3 LEU B 26 -10.635 -8.432 4.859 1.00 52.30 H new ATOM 0 HG LEU B 26 -10.220 -5.613 5.968 1.00 2.25 H new ATOM 0 HD11 LEU B 26 -8.859 -5.225 3.950 1.00 3.04 H new ATOM 0 HD12 LEU B 26 -8.121 -6.473 4.983 1.00 3.04 H new ATOM 0 HD13 LEU B 26 -9.006 -6.944 3.512 1.00 3.04 H new ATOM 0 HD21 LEU B 26 -11.406 -4.962 3.935 1.00 60.24 H new ATOM 0 HD22 LEU B 26 -11.581 -6.672 3.473 1.00 60.24 H new ATOM 0 HD23 LEU B 26 -12.395 -6.056 4.931 1.00 60.24 H new ATOM 1002 N PRO B 27 -12.490 -10.084 6.223 1.00 40.11 N ATOM 1003 CA PRO B 27 -12.681 -11.520 6.349 1.00 1.33 C ATOM 1004 C PRO B 27 -11.356 -12.176 5.927 1.00 73.33 C ATOM 1005 O PRO B 27 -10.705 -11.745 4.971 1.00 74.23 O ATOM 1006 CB PRO B 27 -13.850 -11.872 5.423 1.00 61.23 C ATOM 1007 CG PRO B 27 -13.828 -10.759 4.377 1.00 24.14 C ATOM 1008 CD PRO B 27 -13.325 -9.548 5.156 1.00 4.35 C ATOM 0 HA PRO B 27 -12.921 -11.865 7.355 1.00 1.33 H new ATOM 0 HB2 PRO B 27 -13.719 -12.853 4.967 1.00 61.23 H new ATOM 0 HB3 PRO B 27 -14.796 -11.896 5.963 1.00 61.23 H new ATOM 0 HG2 PRO B 27 -13.168 -11.003 3.545 1.00 24.14 H new ATOM 0 HG3 PRO B 27 -14.818 -10.583 3.957 1.00 24.14 H new ATOM 0 HD2 PRO B 27 -12.755 -8.878 4.512 1.00 4.35 H new ATOM 0 HD3 PRO B 27 -14.156 -8.971 5.562 1.00 4.35 H new ATOM 1013 N TYR B 28 -10.934 -13.209 6.653 1.00 71.02 N ATOM 1014 CA TYR B 28 -9.691 -13.940 6.403 1.00 54.43 C ATOM 1015 C TYR B 28 -9.766 -14.798 5.131 1.00 35.04 C ATOM 1016 O TYR B 28 -8.753 -15.352 4.694 1.00 41.43 O ATOM 1017 CB TYR B 28 -9.326 -14.787 7.631 1.00 64.44 C ATOM 1018 CG TYR B 28 -9.195 -14.082 8.983 1.00 70.14 C ATOM 1019 CD1 TYR B 28 -9.253 -12.676 9.129 1.00 23.22 C ATOM 1020 CD2 TYR B 28 -9.029 -14.877 10.132 1.00 33.31 C ATOM 1021 CE1 TYR B 28 -9.206 -12.087 10.406 1.00 63.22 C ATOM 1022 CE2 TYR B 28 -8.941 -14.294 11.409 1.00 73.42 C ATOM 1023 CZ TYR B 28 -9.048 -12.894 11.551 1.00 12.33 C ATOM 1024 OH TYR B 28 -9.023 -12.326 12.785 1.00 30.31 O ATOM 0 H TYR B 28 -11.458 -13.570 7.450 1.00 71.02 H new ATOM 0 HA TYR B 28 -8.900 -13.209 6.233 1.00 54.43 H new ATOM 0 HB2 TYR B 28 -10.081 -15.567 7.734 1.00 64.44 H new ATOM 0 HB3 TYR B 28 -8.379 -15.285 7.422 1.00 64.44 H new ATOM 0 HD1 TYR B 28 -9.334 -12.050 8.253 1.00 23.22 H new ATOM 0 HD2 TYR B 28 -8.968 -15.951 10.032 1.00 33.31 H new ATOM 0 HE1 TYR B 28 -9.291 -11.015 10.509 1.00 63.22 H new ATOM 0 HE2 TYR B 28 -8.792 -14.916 12.279 1.00 73.42 H new ATOM 0 HH TYR B 28 -8.908 -13.023 13.464 1.00 30.31 H new ATOM 1033 N LYS B 29 -10.960 -14.957 4.556 1.00 54.03 N ATOM 1034 CA LYS B 29 -11.237 -15.719 3.351 1.00 12.15 C ATOM 1035 C LYS B 29 -11.974 -14.799 2.395 1.00 2.20 C ATOM 1036 O LYS B 29 -13.129 -14.476 2.652 1.00 13.21 O ATOM 1037 CB LYS B 29 -12.097 -16.942 3.692 1.00 22.43 C ATOM 1038 CG LYS B 29 -11.268 -18.037 4.372 1.00 14.35 C ATOM 1039 CD LYS B 29 -12.043 -19.354 4.479 1.00 72.22 C ATOM 1040 CE LYS B 29 -11.872 -20.272 3.259 1.00 13.15 C ATOM 1041 NZ LYS B 29 -12.636 -19.831 2.072 1.00 21.21 N ATOM 0 H LYS B 29 -11.801 -14.531 4.945 1.00 54.03 H new ATOM 0 HA LYS B 29 -10.314 -16.078 2.896 1.00 12.15 H new ATOM 0 HB2 LYS B 29 -12.914 -16.642 4.348 1.00 22.43 H new ATOM 0 HB3 LYS B 29 -12.547 -17.337 2.781 1.00 22.43 H new ATOM 0 HG2 LYS B 29 -10.350 -18.201 3.808 1.00 14.35 H new ATOM 0 HG3 LYS B 29 -10.976 -17.705 5.368 1.00 14.35 H new ATOM 0 HD2 LYS B 29 -11.716 -19.886 5.372 1.00 72.22 H new ATOM 0 HD3 LYS B 29 -13.102 -19.132 4.610 1.00 72.22 H new ATOM 0 HE2 LYS B 29 -10.814 -20.325 3.000 1.00 13.15 H new ATOM 0 HE3 LYS B 29 -12.185 -21.281 3.528 1.00 13.15 H new ATOM 0 HZ1 LYS B 29 -12.786 -20.640 1.436 1.00 21.21 H new ATOM 0 HZ2 LYS B 29 -13.556 -19.451 2.373 1.00 21.21 H new ATOM 0 HZ3 LYS B 29 -12.103 -19.091 1.572 1.00 21.21 H new ATOM 1051 N ILE B 30 -11.316 -14.374 1.315 1.00 74.40 N ATOM 1052 CA ILE B 30 -11.908 -13.492 0.315 1.00 42.42 C ATOM 1053 C ILE B 30 -11.149 -13.666 -1.008 1.00 14.22 C ATOM 1054 O ILE B 30 -9.916 -13.809 -0.992 1.00 53.12 O ATOM 1055 CB ILE B 30 -11.917 -12.045 0.870 1.00 12.53 C ATOM 1056 CG1 ILE B 30 -12.615 -11.098 -0.114 1.00 3.40 C ATOM 1057 CG2 ILE B 30 -10.527 -11.522 1.285 1.00 74.24 C ATOM 1058 CD1 ILE B 30 -13.059 -9.771 0.510 1.00 70.03 C ATOM 0 H ILE B 30 -10.351 -14.635 1.111 1.00 74.40 H new ATOM 0 HA ILE B 30 -12.948 -13.743 0.104 1.00 42.42 H new ATOM 0 HB ILE B 30 -12.490 -12.074 1.797 1.00 12.53 H new ATOM 0 HG12 ILE B 30 -11.940 -10.890 -0.944 1.00 3.40 H new ATOM 0 HG13 ILE B 30 -13.487 -11.602 -0.531 1.00 3.40 H new ATOM 0 HG21 ILE B 30 -10.619 -10.504 1.662 1.00 74.24 H new ATOM 0 HG22 ILE B 30 -10.115 -12.162 2.065 1.00 74.24 H new ATOM 0 HG23 ILE B 30 -9.862 -11.530 0.421 1.00 74.24 H new ATOM 0 HD11 ILE B 30 -13.544 -9.156 -0.249 1.00 70.03 H new ATOM 0 HD12 ILE B 30 -13.760 -9.967 1.321 1.00 70.03 H new ATOM 0 HD13 ILE B 30 -12.189 -9.244 0.902 1.00 70.03 H new ATOM 1069 N THR B 31 -11.861 -13.729 -2.133 1.00 51.02 N ATOM 1070 CA THR B 31 -11.289 -13.888 -3.469 1.00 63.02 C ATOM 1071 C THR B 31 -10.913 -12.524 -4.057 1.00 13.31 C ATOM 1072 O THR B 31 -11.359 -11.482 -3.580 1.00 22.32 O ATOM 1073 CB THR B 31 -12.284 -14.640 -4.378 1.00 13.34 C ATOM 1074 OG1 THR B 31 -13.602 -14.211 -4.109 1.00 32.14 O ATOM 1075 CG2 THR B 31 -12.184 -16.151 -4.152 1.00 0.22 C ATOM 0 H THR B 31 -12.879 -13.669 -2.140 1.00 51.02 H new ATOM 0 HA THR B 31 -10.376 -14.479 -3.401 1.00 63.02 H new ATOM 0 HB THR B 31 -12.034 -14.421 -5.416 1.00 13.34 H new ATOM 0 HG1 THR B 31 -14.228 -14.691 -4.691 1.00 32.14 H new ATOM 0 HG21 THR B 31 -12.893 -16.664 -4.802 1.00 0.22 H new ATOM 0 HG22 THR B 31 -11.173 -16.487 -4.382 1.00 0.22 H new ATOM 0 HG23 THR B 31 -12.415 -16.379 -3.111 1.00 0.22 H new ATOM 1083 N ALA B 32 -10.089 -12.523 -5.105 1.00 2.12 N ATOM 1084 CA ALA B 32 -9.652 -11.316 -5.792 1.00 42.44 C ATOM 1085 C ALA B 32 -10.860 -10.592 -6.402 1.00 25.23 C ATOM 1086 O ALA B 32 -10.885 -9.369 -6.495 1.00 43.42 O ATOM 1087 CB ALA B 32 -8.628 -11.700 -6.878 1.00 11.32 C ATOM 0 H ALA B 32 -9.702 -13.378 -5.504 1.00 2.12 H new ATOM 0 HA ALA B 32 -9.178 -10.636 -5.085 1.00 42.44 H new ATOM 0 HB1 ALA B 32 -8.295 -10.802 -7.398 1.00 11.32 H new ATOM 0 HB2 ALA B 32 -7.772 -12.189 -6.414 1.00 11.32 H new ATOM 0 HB3 ALA B 32 -9.092 -12.381 -7.591 1.00 11.32 H new ATOM 1093 N GLU B 33 -11.858 -11.367 -6.818 1.00 31.10 N ATOM 1094 CA GLU B 33 -13.085 -10.879 -7.421 1.00 24.01 C ATOM 1095 C GLU B 33 -13.909 -10.087 -6.413 1.00 42.23 C ATOM 1096 O GLU B 33 -14.618 -9.166 -6.808 1.00 40.24 O ATOM 1097 CB GLU B 33 -13.888 -12.066 -7.958 1.00 22.41 C ATOM 1098 CG GLU B 33 -13.070 -12.845 -8.991 1.00 43.02 C ATOM 1099 CD GLU B 33 -13.960 -13.809 -9.752 1.00 60.33 C ATOM 1100 OE1 GLU B 33 -14.561 -13.388 -10.770 1.00 62.31 O ATOM 1101 OE2 GLU B 33 -14.064 -14.985 -9.343 1.00 14.12 O ATOM 0 H GLU B 33 -11.829 -12.384 -6.740 1.00 31.10 H new ATOM 0 HA GLU B 33 -12.836 -10.208 -8.243 1.00 24.01 H new ATOM 0 HB2 GLU B 33 -14.168 -12.725 -7.136 1.00 22.41 H new ATOM 0 HB3 GLU B 33 -14.813 -11.711 -8.411 1.00 22.41 H new ATOM 0 HG2 GLU B 33 -12.596 -12.152 -9.686 1.00 43.02 H new ATOM 0 HG3 GLU B 33 -12.271 -13.394 -8.493 1.00 43.02 H new ATOM 1106 N GLU B 34 -13.855 -10.450 -5.132 1.00 4.12 N ATOM 1107 CA GLU B 34 -14.579 -9.752 -4.080 1.00 73.22 C ATOM 1108 C GLU B 34 -13.852 -8.436 -3.816 1.00 32.25 C ATOM 1109 O GLU B 34 -14.487 -7.387 -3.757 1.00 41.33 O ATOM 1110 CB GLU B 34 -14.622 -10.621 -2.819 1.00 60.53 C ATOM 1111 CG GLU B 34 -15.582 -11.811 -2.912 1.00 14.15 C ATOM 1112 CD GLU B 34 -17.025 -11.345 -2.766 1.00 41.12 C ATOM 1113 OE1 GLU B 34 -17.621 -10.945 -3.793 1.00 50.14 O ATOM 1114 OE2 GLU B 34 -17.528 -11.315 -1.616 1.00 2.52 O ATOM 0 H GLU B 34 -13.304 -11.241 -4.797 1.00 4.12 H new ATOM 0 HA GLU B 34 -15.608 -9.551 -4.377 1.00 73.22 H new ATOM 0 HB2 GLU B 34 -13.618 -10.993 -2.613 1.00 60.53 H new ATOM 0 HB3 GLU B 34 -14.912 -9.999 -1.972 1.00 60.53 H new ATOM 0 HG2 GLU B 34 -15.452 -12.317 -3.869 1.00 14.15 H new ATOM 0 HG3 GLU B 34 -15.347 -12.537 -2.133 1.00 14.15 H new ATOM 1119 N MET B 35 -12.521 -8.480 -3.706 1.00 4.44 N ATOM 1120 CA MET B 35 -11.693 -7.303 -3.460 1.00 35.23 C ATOM 1121 C MET B 35 -11.960 -6.235 -4.530 1.00 11.32 C ATOM 1122 O MET B 35 -12.278 -5.095 -4.193 1.00 42.40 O ATOM 1123 CB MET B 35 -10.207 -7.692 -3.444 1.00 22.41 C ATOM 1124 CG MET B 35 -9.817 -8.713 -2.368 1.00 64.52 C ATOM 1125 SD MET B 35 -9.824 -8.162 -0.642 1.00 44.20 S ATOM 1126 CE MET B 35 -8.523 -6.899 -0.684 1.00 60.35 C ATOM 0 H MET B 35 -11.986 -9.344 -3.787 1.00 4.44 H new ATOM 0 HA MET B 35 -11.951 -6.888 -2.485 1.00 35.23 H new ATOM 0 HB2 MET B 35 -9.942 -8.097 -4.421 1.00 22.41 H new ATOM 0 HB3 MET B 35 -9.612 -6.790 -3.301 1.00 22.41 H new ATOM 0 HG2 MET B 35 -10.494 -9.563 -2.451 1.00 64.52 H new ATOM 0 HG3 MET B 35 -8.816 -9.078 -2.599 1.00 64.52 H new ATOM 0 HE1 MET B 35 -8.307 -6.565 0.331 1.00 60.35 H new ATOM 0 HE2 MET B 35 -7.621 -7.321 -1.127 1.00 60.35 H new ATOM 0 HE3 MET B 35 -8.858 -6.051 -1.281 1.00 60.35 H new ATOM 1134 N TYR B 36 -11.855 -6.589 -5.813 1.00 74.51 N ATOM 1135 CA TYR B 36 -12.081 -5.648 -6.908 1.00 42.35 C ATOM 1136 C TYR B 36 -13.556 -5.264 -7.086 1.00 54.43 C ATOM 1137 O TYR B 36 -13.858 -4.379 -7.889 1.00 43.12 O ATOM 1138 CB TYR B 36 -11.408 -6.127 -8.202 1.00 14.24 C ATOM 1139 CG TYR B 36 -9.936 -5.746 -8.271 1.00 71.25 C ATOM 1140 CD1 TYR B 36 -9.007 -6.339 -7.398 1.00 60.32 C ATOM 1141 CD2 TYR B 36 -9.484 -4.784 -9.195 1.00 73.31 C ATOM 1142 CE1 TYR B 36 -7.638 -6.028 -7.484 1.00 2.11 C ATOM 1143 CE2 TYR B 36 -8.122 -4.434 -9.255 1.00 15.21 C ATOM 1144 CZ TYR B 36 -7.187 -5.062 -8.402 1.00 22.41 C ATOM 1145 OH TYR B 36 -5.857 -4.770 -8.460 1.00 22.14 O ATOM 0 H TYR B 36 -11.612 -7.531 -6.119 1.00 74.51 H new ATOM 0 HA TYR B 36 -11.593 -4.713 -6.630 1.00 42.35 H new ATOM 0 HB2 TYR B 36 -11.503 -7.210 -8.277 1.00 14.24 H new ATOM 0 HB3 TYR B 36 -11.931 -5.701 -9.058 1.00 14.24 H new ATOM 0 HD1 TYR B 36 -9.349 -7.042 -6.652 1.00 60.32 H new ATOM 0 HD2 TYR B 36 -10.188 -4.311 -9.863 1.00 73.31 H new ATOM 0 HE1 TYR B 36 -6.930 -6.533 -6.843 1.00 2.11 H new ATOM 0 HE2 TYR B 36 -7.790 -3.682 -9.956 1.00 15.21 H new ATOM 0 HH TYR B 36 -5.702 -4.085 -9.143 1.00 22.14 H new ATOM 1154 N ASP B 37 -14.492 -5.940 -6.417 1.00 72.22 N ATOM 1155 CA ASP B 37 -15.910 -5.608 -6.508 1.00 33.51 C ATOM 1156 C ASP B 37 -16.223 -4.581 -5.430 1.00 21.42 C ATOM 1157 O ASP B 37 -16.587 -3.448 -5.735 1.00 15.41 O ATOM 1158 CB ASP B 37 -16.800 -6.844 -6.391 1.00 72.00 C ATOM 1159 CG ASP B 37 -18.250 -6.452 -6.641 1.00 55.40 C ATOM 1160 OD1 ASP B 37 -18.872 -5.801 -5.777 1.00 34.14 O ATOM 1161 OD2 ASP B 37 -18.794 -6.819 -7.711 1.00 43.41 O ATOM 0 H ASP B 37 -14.288 -6.727 -5.802 1.00 72.22 H new ATOM 0 HA ASP B 37 -16.123 -5.188 -7.491 1.00 33.51 H new ATOM 0 HB2 ASP B 37 -16.487 -7.600 -7.111 1.00 72.00 H new ATOM 0 HB3 ASP B 37 -16.698 -7.286 -5.400 1.00 72.00 H new ATOM 1165 N ILE B 38 -16.001 -4.958 -4.171 1.00 34.24 N ATOM 1166 CA ILE B 38 -16.231 -4.157 -2.978 1.00 14.22 C ATOM 1167 C ILE B 38 -15.604 -2.770 -3.153 1.00 61.21 C ATOM 1168 O ILE B 38 -16.288 -1.757 -2.998 1.00 32.34 O ATOM 1169 CB ILE B 38 -15.677 -4.932 -1.756 1.00 45.30 C ATOM 1170 CG1 ILE B 38 -16.449 -6.249 -1.518 1.00 34.30 C ATOM 1171 CG2 ILE B 38 -15.721 -4.105 -0.461 1.00 31.31 C ATOM 1172 CD1 ILE B 38 -15.762 -7.137 -0.475 1.00 23.14 C ATOM 0 H ILE B 38 -15.635 -5.884 -3.948 1.00 34.24 H new ATOM 0 HA ILE B 38 -17.295 -3.990 -2.811 1.00 14.22 H new ATOM 0 HB ILE B 38 -14.637 -5.150 -2.000 1.00 45.30 H new ATOM 0 HG12 ILE B 38 -17.463 -6.021 -1.188 1.00 34.30 H new ATOM 0 HG13 ILE B 38 -16.535 -6.794 -2.458 1.00 34.30 H new ATOM 0 HG21 ILE B 38 -15.321 -4.697 0.362 1.00 31.31 H new ATOM 0 HG22 ILE B 38 -15.121 -3.203 -0.585 1.00 31.31 H new ATOM 0 HG23 ILE B 38 -16.752 -3.828 -0.241 1.00 31.31 H new ATOM 0 HD11 ILE B 38 -16.339 -8.052 -0.339 1.00 23.14 H new ATOM 0 HD12 ILE B 38 -14.758 -7.388 -0.816 1.00 23.14 H new ATOM 0 HD13 ILE B 38 -15.700 -6.603 0.473 1.00 23.14 H new ATOM 1183 N PHE B 39 -14.310 -2.708 -3.467 1.00 24.13 N ATOM 1184 CA PHE B 39 -13.602 -1.442 -3.648 1.00 13.04 C ATOM 1185 C PHE B 39 -13.880 -0.801 -5.014 1.00 51.43 C ATOM 1186 O PHE B 39 -13.622 0.393 -5.183 1.00 14.42 O ATOM 1187 CB PHE B 39 -12.100 -1.677 -3.426 1.00 53.23 C ATOM 1188 CG PHE B 39 -11.730 -1.998 -1.990 1.00 24.22 C ATOM 1189 CD1 PHE B 39 -11.956 -3.288 -1.478 1.00 64.03 C ATOM 1190 CD2 PHE B 39 -11.159 -1.017 -1.154 1.00 71.52 C ATOM 1191 CE1 PHE B 39 -11.604 -3.607 -0.164 1.00 44.20 C ATOM 1192 CE2 PHE B 39 -10.780 -1.345 0.160 1.00 70.11 C ATOM 1193 CZ PHE B 39 -10.990 -2.646 0.650 1.00 64.32 C ATOM 0 H PHE B 39 -13.725 -3.532 -3.603 1.00 24.13 H new ATOM 0 HA PHE B 39 -13.972 -0.729 -2.911 1.00 13.04 H new ATOM 0 HB2 PHE B 39 -11.773 -2.496 -4.066 1.00 53.23 H new ATOM 0 HB3 PHE B 39 -11.553 -0.788 -3.741 1.00 53.23 H new ATOM 0 HD1 PHE B 39 -12.407 -4.041 -2.108 1.00 64.03 H new ATOM 0 HD2 PHE B 39 -11.012 -0.013 -1.523 1.00 71.52 H new ATOM 0 HE1 PHE B 39 -11.805 -4.594 0.224 1.00 44.20 H new ATOM 0 HE2 PHE B 39 -10.327 -0.597 0.793 1.00 70.11 H new ATOM 0 HZ PHE B 39 -10.679 -2.904 1.651 1.00 64.32 H new ATOM 1202 N GLY B 40 -14.412 -1.562 -5.975 1.00 60.42 N ATOM 1203 CA GLY B 40 -14.716 -1.092 -7.318 1.00 73.33 C ATOM 1204 C GLY B 40 -15.872 -0.099 -7.347 1.00 21.20 C ATOM 1205 O GLY B 40 -15.889 0.776 -8.208 1.00 60.44 O ATOM 0 H GLY B 40 -14.647 -2.544 -5.831 1.00 60.42 H new ATOM 0 HA2 GLY B 40 -13.829 -0.623 -7.744 1.00 73.33 H new ATOM 0 HA3 GLY B 40 -14.960 -1.946 -7.951 1.00 73.33 H new ATOM 1209 N LYS B 41 -16.804 -0.166 -6.383 1.00 52.05 N ATOM 1210 CA LYS B 41 -17.952 0.752 -6.318 1.00 62.11 C ATOM 1211 C LYS B 41 -17.540 2.227 -6.200 1.00 41.20 C ATOM 1212 O LYS B 41 -18.419 3.089 -6.341 1.00 70.04 O ATOM 1213 CB LYS B 41 -18.869 0.422 -5.122 1.00 53.22 C ATOM 1214 CG LYS B 41 -19.881 -0.716 -5.323 1.00 55.22 C ATOM 1215 CD LYS B 41 -19.267 -2.113 -5.222 1.00 5.45 C ATOM 1216 CE LYS B 41 -20.329 -3.144 -4.833 1.00 41.45 C ATOM 1217 NZ LYS B 41 -20.797 -3.930 -5.986 1.00 45.20 N ATOM 0 H LYS B 41 -16.783 -0.854 -5.630 1.00 52.05 H new ATOM 0 HA LYS B 41 -18.481 0.609 -7.260 1.00 62.11 H new ATOM 0 HB2 LYS B 41 -18.239 0.170 -4.269 1.00 53.22 H new ATOM 0 HB3 LYS B 41 -19.420 1.324 -4.856 1.00 53.22 H new ATOM 0 HG2 LYS B 41 -20.672 -0.622 -4.579 1.00 55.22 H new ATOM 0 HG3 LYS B 41 -20.349 -0.605 -6.301 1.00 55.22 H new ATOM 0 HD2 LYS B 41 -18.818 -2.388 -6.176 1.00 5.45 H new ATOM 0 HD3 LYS B 41 -18.467 -2.111 -4.482 1.00 5.45 H new ATOM 0 HE2 LYS B 41 -19.919 -3.817 -4.080 1.00 41.45 H new ATOM 0 HE3 LYS B 41 -21.177 -2.634 -4.376 1.00 41.45 H new ATOM 0 HZ1 LYS B 41 -21.719 -4.357 -5.764 1.00 45.20 H new ATOM 0 HZ2 LYS B 41 -20.894 -3.308 -6.814 1.00 45.20 H new ATOM 0 HZ3 LYS B 41 -20.109 -4.681 -6.196 1.00 45.20 H new ATOM 1227 N TYR B 42 -16.284 2.536 -5.884 1.00 64.41 N ATOM 1228 CA TYR B 42 -15.777 3.894 -5.730 1.00 32.53 C ATOM 1229 C TYR B 42 -14.853 4.345 -6.872 1.00 62.35 C ATOM 1230 O TYR B 42 -14.431 5.507 -6.858 1.00 41.23 O ATOM 1231 CB TYR B 42 -15.114 4.026 -4.355 1.00 13.31 C ATOM 1232 CG TYR B 42 -15.852 3.348 -3.207 1.00 11.04 C ATOM 1233 CD1 TYR B 42 -17.146 3.767 -2.831 1.00 60.14 C ATOM 1234 CD2 TYR B 42 -15.254 2.263 -2.540 1.00 30.11 C ATOM 1235 CE1 TYR B 42 -17.843 3.099 -1.806 1.00 54.42 C ATOM 1236 CE2 TYR B 42 -15.937 1.597 -1.509 1.00 41.41 C ATOM 1237 CZ TYR B 42 -17.236 2.009 -1.139 1.00 40.35 C ATOM 1238 OH TYR B 42 -17.893 1.311 -0.171 1.00 11.22 O ATOM 0 H TYR B 42 -15.571 1.825 -5.724 1.00 64.41 H new ATOM 0 HA TYR B 42 -16.625 4.576 -5.790 1.00 32.53 H new ATOM 0 HB2 TYR B 42 -14.108 3.610 -4.414 1.00 13.31 H new ATOM 0 HB3 TYR B 42 -15.008 5.085 -4.121 1.00 13.31 H new ATOM 0 HD1 TYR B 42 -17.605 4.606 -3.333 1.00 60.14 H new ATOM 0 HD2 TYR B 42 -14.263 1.940 -2.823 1.00 30.11 H new ATOM 0 HE1 TYR B 42 -18.837 3.418 -1.530 1.00 54.42 H new ATOM 0 HE2 TYR B 42 -15.468 0.769 -0.999 1.00 41.41 H new ATOM 0 HH TYR B 42 -17.831 0.351 -0.360 1.00 11.22 H new ATOM 1247 N GLY B 43 -14.502 3.475 -7.830 1.00 43.15 N ATOM 1248 CA GLY B 43 -13.631 3.810 -8.960 1.00 1.54 C ATOM 1249 C GLY B 43 -12.562 2.745 -9.224 1.00 74.15 C ATOM 1250 O GLY B 43 -12.595 1.687 -8.588 1.00 11.11 O ATOM 0 H GLY B 43 -14.821 2.506 -7.839 1.00 43.15 H new ATOM 0 HA2 GLY B 43 -14.239 3.937 -9.856 1.00 1.54 H new ATOM 0 HA3 GLY B 43 -13.144 4.766 -8.766 1.00 1.54 H new ATOM 1254 N PRO B 44 -11.628 3.000 -10.160 1.00 40.12 N ATOM 1255 CA PRO B 44 -10.559 2.071 -10.522 1.00 4.24 C ATOM 1256 C PRO B 44 -9.536 1.922 -9.390 1.00 11.45 C ATOM 1257 O PRO B 44 -9.113 2.901 -8.772 1.00 42.40 O ATOM 1258 CB PRO B 44 -9.930 2.652 -11.790 1.00 1.43 C ATOM 1259 CG PRO B 44 -10.197 4.149 -11.669 1.00 12.02 C ATOM 1260 CD PRO B 44 -11.538 4.221 -10.946 1.00 33.50 C ATOM 0 HA PRO B 44 -10.940 1.064 -10.695 1.00 4.24 H new ATOM 0 HB2 PRO B 44 -8.862 2.438 -11.842 1.00 1.43 H new ATOM 0 HB3 PRO B 44 -10.383 2.235 -12.690 1.00 1.43 H new ATOM 0 HG2 PRO B 44 -9.411 4.651 -11.105 1.00 12.02 H new ATOM 0 HG3 PRO B 44 -10.243 4.628 -12.647 1.00 12.02 H new ATOM 0 HD2 PRO B 44 -11.591 5.103 -10.307 1.00 33.50 H new ATOM 0 HD3 PRO B 44 -12.362 4.291 -11.656 1.00 33.50 H new ATOM 1265 N ILE B 45 -9.092 0.687 -9.166 1.00 73.44 N ATOM 1266 CA ILE B 45 -8.143 0.299 -8.134 1.00 71.11 C ATOM 1267 C ILE B 45 -6.754 0.111 -8.753 1.00 2.55 C ATOM 1268 O ILE B 45 -6.552 -0.722 -9.641 1.00 75.41 O ATOM 1269 CB ILE B 45 -8.648 -1.000 -7.468 1.00 13.43 C ATOM 1270 CG1 ILE B 45 -10.082 -0.864 -6.896 1.00 41.24 C ATOM 1271 CG2 ILE B 45 -7.677 -1.409 -6.347 1.00 51.11 C ATOM 1272 CD1 ILE B 45 -10.743 -2.230 -6.701 1.00 23.45 C ATOM 0 H ILE B 45 -9.401 -0.106 -9.728 1.00 73.44 H new ATOM 0 HA ILE B 45 -8.062 1.076 -7.374 1.00 71.11 H new ATOM 0 HB ILE B 45 -8.686 -1.768 -8.240 1.00 13.43 H new ATOM 0 HG12 ILE B 45 -10.045 -0.338 -5.942 1.00 41.24 H new ATOM 0 HG13 ILE B 45 -10.688 -0.259 -7.571 1.00 41.24 H new ATOM 0 HG21 ILE B 45 -8.031 -2.326 -5.875 1.00 51.11 H new ATOM 0 HG22 ILE B 45 -6.686 -1.577 -6.768 1.00 51.11 H new ATOM 0 HG23 ILE B 45 -7.625 -0.614 -5.603 1.00 51.11 H new ATOM 0 HD11 ILE B 45 -11.747 -2.094 -6.299 1.00 23.45 H new ATOM 0 HD12 ILE B 45 -10.803 -2.745 -7.660 1.00 23.45 H new ATOM 0 HD13 ILE B 45 -10.151 -2.825 -6.006 1.00 23.45 H new ATOM 1283 N ARG B 46 -5.762 0.854 -8.253 1.00 22.44 N ATOM 1284 CA ARG B 46 -4.387 0.778 -8.743 1.00 61.14 C ATOM 1285 C ARG B 46 -3.714 -0.537 -8.380 1.00 2.55 C ATOM 1286 O ARG B 46 -3.050 -1.119 -9.241 1.00 71.14 O ATOM 1287 CB ARG B 46 -3.554 1.960 -8.219 1.00 1.02 C ATOM 1288 CG ARG B 46 -3.702 3.236 -9.059 1.00 41.53 C ATOM 1289 CD ARG B 46 -2.995 3.162 -10.424 1.00 13.23 C ATOM 1290 NE ARG B 46 -1.533 3.016 -10.295 1.00 63.32 N ATOM 1291 CZ ARG B 46 -0.651 4.002 -10.097 1.00 40.12 C ATOM 1292 NH1 ARG B 46 -1.061 5.260 -10.011 1.00 45.33 N ATOM 1293 NH2 ARG B 46 0.647 3.744 -9.985 1.00 31.14 N ATOM 0 H ARG B 46 -5.892 1.525 -7.496 1.00 22.44 H new ATOM 0 HA ARG B 46 -4.439 0.830 -9.831 1.00 61.14 H new ATOM 0 HB2 ARG B 46 -3.849 2.175 -7.192 1.00 1.02 H new ATOM 0 HB3 ARG B 46 -2.503 1.671 -8.195 1.00 1.02 H new ATOM 0 HG2 ARG B 46 -4.762 3.435 -9.219 1.00 41.53 H new ATOM 0 HG3 ARG B 46 -3.301 4.079 -8.497 1.00 41.53 H new ATOM 0 HD2 ARG B 46 -3.393 2.320 -10.990 1.00 13.23 H new ATOM 0 HD3 ARG B 46 -3.218 4.064 -10.995 1.00 13.23 H new ATOM 0 HE ARG B 46 -1.158 2.070 -10.364 1.00 63.32 H new ATOM 0 HH11 ARG B 46 -2.053 5.480 -10.096 1.00 45.33 H new ATOM 0 HH12 ARG B 46 -0.384 6.008 -9.860 1.00 45.33 H new ATOM 0 HH21 ARG B 46 0.983 2.783 -10.050 1.00 31.14 H new ATOM 0 HH22 ARG B 46 1.307 4.507 -9.834 1.00 31.14 H new ATOM 1304 N GLN B 47 -3.791 -0.990 -7.126 1.00 64.42 N ATOM 1305 CA GLN B 47 -3.154 -2.243 -6.717 1.00 53.15 C ATOM 1306 C GLN B 47 -3.688 -2.701 -5.357 1.00 41.43 C ATOM 1307 O GLN B 47 -4.223 -1.888 -4.595 1.00 54.14 O ATOM 1308 CB GLN B 47 -1.623 -2.036 -6.662 1.00 14.25 C ATOM 1309 CG GLN B 47 -0.840 -3.299 -7.038 1.00 64.41 C ATOM 1310 CD GLN B 47 0.624 -2.947 -7.285 1.00 62.12 C ATOM 1311 OE1 GLN B 47 1.403 -2.776 -6.351 1.00 1.21 O ATOM 1312 NE2 GLN B 47 1.030 -2.849 -8.537 1.00 41.04 N ATOM 0 H GLN B 47 -4.288 -0.508 -6.377 1.00 64.42 H new ATOM 0 HA GLN B 47 -3.387 -3.022 -7.443 1.00 53.15 H new ATOM 0 HB2 GLN B 47 -1.346 -1.227 -7.338 1.00 14.25 H new ATOM 0 HB3 GLN B 47 -1.339 -1.723 -5.657 1.00 14.25 H new ATOM 0 HG2 GLN B 47 -0.916 -4.036 -6.239 1.00 64.41 H new ATOM 0 HG3 GLN B 47 -1.270 -3.752 -7.931 1.00 64.41 H new ATOM 0 HE21 GLN B 47 0.369 -2.994 -9.300 1.00 41.04 H new ATOM 0 HE22 GLN B 47 2.005 -2.628 -8.741 1.00 41.04 H new ATOM 1319 N ILE B 48 -3.523 -3.993 -5.058 1.00 43.51 N ATOM 1320 CA ILE B 48 -3.936 -4.666 -3.829 1.00 53.21 C ATOM 1321 C ILE B 48 -2.901 -5.745 -3.456 1.00 45.05 C ATOM 1322 O ILE B 48 -2.466 -6.540 -4.300 1.00 34.32 O ATOM 1323 CB ILE B 48 -5.350 -5.291 -4.016 1.00 35.01 C ATOM 1324 CG1 ILE B 48 -6.414 -4.182 -4.214 1.00 1.11 C ATOM 1325 CG2 ILE B 48 -5.731 -6.219 -2.844 1.00 64.33 C ATOM 1326 CD1 ILE B 48 -7.882 -4.610 -4.065 1.00 4.23 C ATOM 0 H ILE B 48 -3.069 -4.634 -5.709 1.00 43.51 H new ATOM 0 HA ILE B 48 -3.988 -3.942 -3.016 1.00 53.21 H new ATOM 0 HB ILE B 48 -5.319 -5.907 -4.915 1.00 35.01 H new ATOM 0 HG12 ILE B 48 -6.216 -3.386 -3.496 1.00 1.11 H new ATOM 0 HG13 ILE B 48 -6.282 -3.755 -5.208 1.00 1.11 H new ATOM 0 HG21 ILE B 48 -6.725 -6.633 -3.016 1.00 64.33 H new ATOM 0 HG22 ILE B 48 -5.007 -7.031 -2.772 1.00 64.33 H new ATOM 0 HG23 ILE B 48 -5.731 -5.650 -1.914 1.00 64.33 H new ATOM 0 HD11 ILE B 48 -8.530 -3.749 -4.226 1.00 4.23 H new ATOM 0 HD12 ILE B 48 -8.113 -5.380 -4.801 1.00 4.23 H new ATOM 0 HD13 ILE B 48 -8.046 -5.005 -3.063 1.00 4.23 H new ATOM 1337 N ARG B 49 -2.542 -5.806 -2.170 1.00 63.22 N ATOM 1338 CA ARG B 49 -1.614 -6.758 -1.561 1.00 15.35 C ATOM 1339 C ARG B 49 -2.333 -7.158 -0.276 1.00 73.01 C ATOM 1340 O ARG B 49 -2.783 -6.291 0.481 1.00 45.12 O ATOM 1341 CB ARG B 49 -0.210 -6.140 -1.356 1.00 64.21 C ATOM 1342 CG ARG B 49 0.937 -7.158 -1.491 1.00 75.50 C ATOM 1343 CD ARG B 49 2.232 -6.569 -2.081 1.00 1.33 C ATOM 1344 NE ARG B 49 3.274 -6.368 -1.082 1.00 51.33 N ATOM 1345 CZ ARG B 49 4.579 -6.199 -1.317 1.00 33.04 C ATOM 1346 NH1 ARG B 49 5.068 -6.165 -2.550 1.00 40.21 N ATOM 1347 NH2 ARG B 49 5.403 -6.042 -0.289 1.00 51.25 N ATOM 0 H ARG B 49 -2.917 -5.149 -1.485 1.00 63.22 H new ATOM 0 HA ARG B 49 -1.394 -7.629 -2.178 1.00 15.35 H new ATOM 0 HB2 ARG B 49 -0.064 -5.342 -2.084 1.00 64.21 H new ATOM 0 HB3 ARG B 49 -0.164 -5.683 -0.368 1.00 64.21 H new ATOM 0 HG2 ARG B 49 1.155 -7.576 -0.508 1.00 75.50 H new ATOM 0 HG3 ARG B 49 0.605 -7.982 -2.122 1.00 75.50 H new ATOM 0 HD2 ARG B 49 2.606 -7.235 -2.859 1.00 1.33 H new ATOM 0 HD3 ARG B 49 2.006 -5.616 -2.559 1.00 1.33 H new ATOM 0 HE ARG B 49 2.978 -6.355 -0.106 1.00 51.33 H new ATOM 0 HH11 ARG B 49 4.443 -6.269 -3.349 1.00 40.21 H new ATOM 0 HH12 ARG B 49 6.069 -6.035 -2.698 1.00 40.21 H new ATOM 0 HH21 ARG B 49 5.038 -6.051 0.663 1.00 51.25 H new ATOM 0 HH22 ARG B 49 6.402 -5.912 -0.451 1.00 51.25 H new ATOM 1358 N VAL B 50 -2.525 -8.456 -0.051 1.00 33.24 N ATOM 1359 CA VAL B 50 -3.235 -8.967 1.120 1.00 13.14 C ATOM 1360 C VAL B 50 -2.282 -9.720 2.037 1.00 72.14 C ATOM 1361 O VAL B 50 -1.414 -10.466 1.566 1.00 51.51 O ATOM 1362 CB VAL B 50 -4.453 -9.811 0.686 1.00 43.11 C ATOM 1363 CG1 VAL B 50 -5.602 -8.909 0.213 1.00 74.34 C ATOM 1364 CG2 VAL B 50 -4.140 -10.812 -0.439 1.00 11.44 C ATOM 0 H VAL B 50 -2.191 -9.187 -0.679 1.00 33.24 H new ATOM 0 HA VAL B 50 -3.626 -8.131 1.700 1.00 13.14 H new ATOM 0 HB VAL B 50 -4.738 -10.376 1.573 1.00 43.11 H new ATOM 0 HG11 VAL B 50 -6.449 -9.526 -0.088 1.00 74.34 H new ATOM 0 HG12 VAL B 50 -5.905 -8.249 1.026 1.00 74.34 H new ATOM 0 HG13 VAL B 50 -5.269 -8.311 -0.635 1.00 74.34 H new ATOM 0 HG21 VAL B 50 -5.042 -11.369 -0.692 1.00 11.44 H new ATOM 0 HG22 VAL B 50 -3.788 -10.273 -1.319 1.00 11.44 H new ATOM 0 HG23 VAL B 50 -3.367 -11.505 -0.105 1.00 11.44 H new ATOM 1374 N GLY B 51 -2.479 -9.570 3.347 1.00 1.14 N ATOM 1375 CA GLY B 51 -1.665 -10.197 4.376 1.00 72.11 C ATOM 1376 C GLY B 51 -1.681 -11.707 4.246 1.00 32.13 C ATOM 1377 O GLY B 51 -2.719 -12.280 3.878 1.00 51.35 O ATOM 0 H GLY B 51 -3.230 -8.993 3.726 1.00 1.14 H new ATOM 0 HA2 GLY B 51 -0.640 -9.834 4.303 1.00 72.11 H new ATOM 0 HA3 GLY B 51 -2.035 -9.911 5.360 1.00 72.11 H new ATOM 1381 N ASN B 52 -0.546 -12.360 4.473 1.00 41.12 N ATOM 1382 CA ASN B 52 -0.423 -13.814 4.381 1.00 2.42 C ATOM 1383 C ASN B 52 -0.024 -14.434 5.715 1.00 1.11 C ATOM 1384 O ASN B 52 -0.400 -15.578 5.976 1.00 22.42 O ATOM 1385 CB ASN B 52 0.537 -14.216 3.255 1.00 5.35 C ATOM 1386 CG ASN B 52 0.122 -15.566 2.693 1.00 4.42 C ATOM 1387 OD1 ASN B 52 0.687 -16.606 3.002 1.00 43.22 O ATOM 1388 ND2 ASN B 52 -0.927 -15.602 1.888 1.00 0.52 N ATOM 0 H ASN B 52 0.324 -11.892 4.729 1.00 41.12 H new ATOM 0 HA ASN B 52 -1.406 -14.212 4.132 1.00 2.42 H new ATOM 0 HB2 ASN B 52 0.526 -13.463 2.467 1.00 5.35 H new ATOM 0 HB3 ASN B 52 1.558 -14.266 3.634 1.00 5.35 H new ATOM 0 HD21 ASN B 52 -1.262 -16.495 1.527 1.00 0.52 H new ATOM 0 HD22 ASN B 52 -1.401 -14.737 1.628 1.00 0.52 H new ATOM 1394 N THR B 53 0.730 -13.703 6.536 1.00 34.42 N ATOM 1395 CA THR B 53 1.161 -14.134 7.857 1.00 54.21 C ATOM 1396 C THR B 53 -0.057 -14.054 8.796 1.00 73.51 C ATOM 1397 O THR B 53 -0.990 -13.288 8.541 1.00 2.03 O ATOM 1398 CB THR B 53 2.297 -13.197 8.333 1.00 13.21 C ATOM 1399 OG1 THR B 53 1.931 -11.835 8.165 1.00 21.13 O ATOM 1400 CG2 THR B 53 3.601 -13.437 7.570 1.00 50.22 C ATOM 0 H THR B 53 1.064 -12.771 6.290 1.00 34.42 H new ATOM 0 HA THR B 53 1.539 -15.156 7.847 1.00 54.21 H new ATOM 0 HB THR B 53 2.456 -13.421 9.388 1.00 13.21 H new ATOM 0 HG1 THR B 53 2.662 -11.259 8.473 1.00 21.13 H new ATOM 0 HG21 THR B 53 4.369 -12.757 7.939 1.00 50.22 H new ATOM 0 HG22 THR B 53 3.926 -14.467 7.720 1.00 50.22 H new ATOM 0 HG23 THR B 53 3.439 -13.259 6.507 1.00 50.22 H new ATOM 1408 N PRO B 54 -0.074 -14.786 9.921 1.00 23.34 N ATOM 1409 CA PRO B 54 -1.189 -14.729 10.858 1.00 4.13 C ATOM 1410 C PRO B 54 -1.294 -13.321 11.470 1.00 64.51 C ATOM 1411 O PRO B 54 -2.384 -12.895 11.843 1.00 62.33 O ATOM 1412 CB PRO B 54 -0.909 -15.810 11.904 1.00 43.50 C ATOM 1413 CG PRO B 54 0.606 -15.985 11.828 1.00 51.32 C ATOM 1414 CD PRO B 54 0.932 -15.727 10.365 1.00 62.23 C ATOM 0 HA PRO B 54 -2.150 -14.914 10.379 1.00 4.13 H new ATOM 0 HB2 PRO B 54 -1.229 -15.500 12.899 1.00 43.50 H new ATOM 0 HB3 PRO B 54 -1.434 -16.738 11.675 1.00 43.50 H new ATOM 0 HG2 PRO B 54 1.122 -15.283 12.482 1.00 51.32 H new ATOM 0 HG3 PRO B 54 0.908 -16.987 12.134 1.00 51.32 H new ATOM 0 HD2 PRO B 54 1.935 -15.317 10.250 1.00 62.23 H new ATOM 0 HD3 PRO B 54 0.896 -16.648 9.783 1.00 62.23 H new ATOM 1419 N GLU B 55 -0.176 -12.589 11.559 1.00 30.11 N ATOM 1420 CA GLU B 55 -0.107 -11.236 12.100 1.00 4.25 C ATOM 1421 C GLU B 55 -0.791 -10.216 11.170 1.00 21.45 C ATOM 1422 O GLU B 55 -1.141 -9.119 11.604 1.00 11.44 O ATOM 1423 CB GLU B 55 1.377 -10.884 12.327 1.00 33.15 C ATOM 1424 CG GLU B 55 1.576 -9.648 13.219 1.00 2.13 C ATOM 1425 CD GLU B 55 3.053 -9.284 13.380 1.00 64.10 C ATOM 1426 OE1 GLU B 55 3.674 -8.845 12.379 1.00 1.10 O ATOM 1427 OE2 GLU B 55 3.583 -9.371 14.512 1.00 61.31 O ATOM 0 H GLU B 55 0.730 -12.937 11.246 1.00 30.11 H new ATOM 0 HA GLU B 55 -0.646 -11.194 13.046 1.00 4.25 H new ATOM 0 HB2 GLU B 55 1.881 -11.737 12.781 1.00 33.15 H new ATOM 0 HB3 GLU B 55 1.854 -10.709 11.363 1.00 33.15 H new ATOM 0 HG2 GLU B 55 1.040 -8.802 12.790 1.00 2.13 H new ATOM 0 HG3 GLU B 55 1.141 -9.836 14.200 1.00 2.13 H new ATOM 1432 N THR B 56 -1.019 -10.568 9.901 1.00 3.34 N ATOM 1433 CA THR B 56 -1.647 -9.706 8.903 1.00 4.45 C ATOM 1434 C THR B 56 -3.077 -10.159 8.572 1.00 71.03 C ATOM 1435 O THR B 56 -3.716 -9.606 7.673 1.00 70.53 O ATOM 1436 CB THR B 56 -0.721 -9.539 7.686 1.00 72.44 C ATOM 1437 OG1 THR B 56 -0.386 -10.779 7.100 1.00 20.21 O ATOM 1438 CG2 THR B 56 0.589 -8.845 8.051 1.00 41.11 C ATOM 0 H THR B 56 -0.764 -11.485 9.533 1.00 3.34 H new ATOM 0 HA THR B 56 -1.777 -8.707 9.319 1.00 4.45 H new ATOM 0 HB THR B 56 -1.286 -8.929 6.981 1.00 72.44 H new ATOM 0 HG1 THR B 56 0.440 -11.119 7.503 1.00 20.21 H new ATOM 0 HG21 THR B 56 1.210 -8.749 7.161 1.00 41.11 H new ATOM 0 HG22 THR B 56 0.376 -7.855 8.453 1.00 41.11 H new ATOM 0 HG23 THR B 56 1.117 -9.435 8.800 1.00 41.11 H new ATOM 1446 N ARG B 57 -3.584 -11.230 9.197 1.00 2.11 N ATOM 1447 CA ARG B 57 -4.942 -11.719 8.952 1.00 0.45 C ATOM 1448 C ARG B 57 -5.928 -10.584 9.214 1.00 40.25 C ATOM 1449 O ARG B 57 -5.896 -9.956 10.272 1.00 50.03 O ATOM 1450 CB ARG B 57 -5.262 -12.906 9.874 1.00 21.10 C ATOM 1451 CG ARG B 57 -4.529 -14.191 9.470 1.00 11.32 C ATOM 1452 CD ARG B 57 -5.162 -14.894 8.264 1.00 42.11 C ATOM 1453 NE ARG B 57 -4.745 -16.301 8.196 1.00 31.13 N ATOM 1454 CZ ARG B 57 -4.161 -16.992 7.212 1.00 55.33 C ATOM 1455 NH1 ARG B 57 -3.830 -16.424 6.057 1.00 35.44 N ATOM 1456 NH2 ARG B 57 -3.911 -18.281 7.416 1.00 71.45 N ATOM 0 H ARG B 57 -3.065 -11.778 9.883 1.00 2.11 H new ATOM 0 HA ARG B 57 -5.023 -12.055 7.918 1.00 0.45 H new ATOM 0 HB2 ARG B 57 -4.993 -12.647 10.898 1.00 21.10 H new ATOM 0 HB3 ARG B 57 -6.337 -13.088 9.863 1.00 21.10 H new ATOM 0 HG2 ARG B 57 -3.491 -13.952 9.239 1.00 11.32 H new ATOM 0 HG3 ARG B 57 -4.518 -14.877 10.317 1.00 11.32 H new ATOM 0 HD2 ARG B 57 -6.248 -14.836 8.334 1.00 42.11 H new ATOM 0 HD3 ARG B 57 -4.873 -14.381 7.347 1.00 42.11 H new ATOM 0 HE ARG B 57 -4.932 -16.841 9.041 1.00 31.13 H new ATOM 0 HH11 ARG B 57 -4.021 -15.434 5.902 1.00 35.44 H new ATOM 0 HH12 ARG B 57 -3.385 -16.978 5.325 1.00 35.44 H new ATOM 0 HH21 ARG B 57 -4.164 -18.715 8.304 1.00 71.45 H new ATOM 0 HH22 ARG B 57 -3.466 -18.836 6.685 1.00 71.45 H new ATOM 1467 N GLY B 58 -6.804 -10.315 8.251 1.00 25.41 N ATOM 1468 CA GLY B 58 -7.801 -9.267 8.368 1.00 71.03 C ATOM 1469 C GLY B 58 -7.300 -7.877 7.988 1.00 22.13 C ATOM 1470 O GLY B 58 -8.105 -6.947 8.021 1.00 20.44 O ATOM 0 H GLY B 58 -6.839 -10.822 7.366 1.00 25.41 H new ATOM 0 HA2 GLY B 58 -8.652 -9.519 7.735 1.00 71.03 H new ATOM 0 HA3 GLY B 58 -8.165 -9.241 9.395 1.00 71.03 H new ATOM 1474 N THR B 59 -6.036 -7.700 7.591 1.00 5.52 N ATOM 1475 CA THR B 59 -5.515 -6.391 7.204 1.00 34.44 C ATOM 1476 C THR B 59 -5.003 -6.455 5.760 1.00 11.25 C ATOM 1477 O THR B 59 -4.668 -7.531 5.243 1.00 23.53 O ATOM 1478 CB THR B 59 -4.518 -5.866 8.257 1.00 42.14 C ATOM 1479 OG1 THR B 59 -3.298 -6.577 8.265 1.00 50.33 O ATOM 1480 CG2 THR B 59 -5.105 -5.947 9.673 1.00 20.21 C ATOM 0 H THR B 59 -5.353 -8.455 7.530 1.00 5.52 H new ATOM 0 HA THR B 59 -6.302 -5.637 7.196 1.00 34.44 H new ATOM 0 HB THR B 59 -4.328 -4.831 7.974 1.00 42.14 H new ATOM 0 HG1 THR B 59 -3.470 -7.523 8.077 1.00 50.33 H new ATOM 0 HG21 THR B 59 -4.377 -5.569 10.391 1.00 20.21 H new ATOM 0 HG22 THR B 59 -6.012 -5.345 9.726 1.00 20.21 H new ATOM 0 HG23 THR B 59 -5.343 -6.984 9.909 1.00 20.21 H new ATOM 1488 N ALA B 60 -5.022 -5.324 5.055 1.00 53.32 N ATOM 1489 CA ALA B 60 -4.585 -5.210 3.666 1.00 31.13 C ATOM 1490 C ALA B 60 -4.332 -3.740 3.336 1.00 4.32 C ATOM 1491 O ALA B 60 -4.589 -2.864 4.160 1.00 52.44 O ATOM 1492 CB ALA B 60 -5.662 -5.787 2.737 1.00 62.22 C ATOM 0 H ALA B 60 -5.350 -4.440 5.445 1.00 53.32 H new ATOM 0 HA ALA B 60 -3.662 -5.772 3.523 1.00 31.13 H new ATOM 0 HB1 ALA B 60 -5.333 -5.701 1.701 1.00 62.22 H new ATOM 0 HB2 ALA B 60 -5.827 -6.837 2.979 1.00 62.22 H new ATOM 0 HB3 ALA B 60 -6.592 -5.234 2.870 1.00 62.22 H new ATOM 1498 N TYR B 61 -3.828 -3.474 2.135 1.00 35.55 N ATOM 1499 CA TYR B 61 -3.508 -2.149 1.633 1.00 70.12 C ATOM 1500 C TYR B 61 -4.110 -2.045 0.225 1.00 22.30 C ATOM 1501 O TYR B 61 -4.007 -2.995 -0.562 1.00 53.55 O ATOM 1502 CB TYR B 61 -1.978 -1.984 1.671 1.00 23.34 C ATOM 1503 CG TYR B 61 -1.380 -1.672 3.037 1.00 22.34 C ATOM 1504 CD1 TYR B 61 -1.177 -2.700 3.980 1.00 33.11 C ATOM 1505 CD2 TYR B 61 -0.964 -0.362 3.345 1.00 3.43 C ATOM 1506 CE1 TYR B 61 -0.528 -2.437 5.202 1.00 2.23 C ATOM 1507 CE2 TYR B 61 -0.340 -0.082 4.575 1.00 71.22 C ATOM 1508 CZ TYR B 61 -0.109 -1.120 5.505 1.00 71.31 C ATOM 1509 OH TYR B 61 0.499 -0.833 6.687 1.00 32.04 O ATOM 0 H TYR B 61 -3.624 -4.210 1.459 1.00 35.55 H new ATOM 0 HA TYR B 61 -3.926 -1.341 2.233 1.00 70.12 H new ATOM 0 HB2 TYR B 61 -1.523 -2.901 1.297 1.00 23.34 H new ATOM 0 HB3 TYR B 61 -1.700 -1.186 0.982 1.00 23.34 H new ATOM 0 HD1 TYR B 61 -1.523 -3.700 3.763 1.00 33.11 H new ATOM 0 HD2 TYR B 61 -1.125 0.433 2.632 1.00 3.43 H new ATOM 0 HE1 TYR B 61 -0.351 -3.237 5.905 1.00 2.23 H new ATOM 0 HE2 TYR B 61 -0.037 0.928 4.808 1.00 71.22 H new ATOM 0 HH TYR B 61 0.717 0.122 6.719 1.00 32.04 H new ATOM 1518 N VAL B 62 -4.781 -0.933 -0.094 1.00 41.12 N ATOM 1519 CA VAL B 62 -5.406 -0.682 -1.396 1.00 74.33 C ATOM 1520 C VAL B 62 -4.957 0.700 -1.866 1.00 3.14 C ATOM 1521 O VAL B 62 -4.791 1.601 -1.036 1.00 15.11 O ATOM 1522 CB VAL B 62 -6.944 -0.787 -1.280 1.00 21.01 C ATOM 1523 CG1 VAL B 62 -7.635 -0.529 -2.625 1.00 43.34 C ATOM 1524 CG2 VAL B 62 -7.357 -2.173 -0.762 1.00 53.33 C ATOM 0 H VAL B 62 -4.907 -0.163 0.563 1.00 41.12 H new ATOM 0 HA VAL B 62 -5.099 -1.427 -2.130 1.00 74.33 H new ATOM 0 HB VAL B 62 -7.261 -0.021 -0.573 1.00 21.01 H new ATOM 0 HG11 VAL B 62 -8.715 -0.612 -2.501 1.00 43.34 H new ATOM 0 HG12 VAL B 62 -7.386 0.472 -2.976 1.00 43.34 H new ATOM 0 HG13 VAL B 62 -7.296 -1.264 -3.355 1.00 43.34 H new ATOM 0 HG21 VAL B 62 -8.443 -2.225 -0.688 1.00 53.33 H new ATOM 0 HG22 VAL B 62 -7.003 -2.939 -1.452 1.00 53.33 H new ATOM 0 HG23 VAL B 62 -6.918 -2.339 0.222 1.00 53.33 H new ATOM 1534 N VAL B 63 -4.715 0.875 -3.163 1.00 32.33 N ATOM 1535 CA VAL B 63 -4.281 2.140 -3.749 1.00 64.32 C ATOM 1536 C VAL B 63 -5.304 2.524 -4.818 1.00 3.35 C ATOM 1537 O VAL B 63 -5.869 1.649 -5.478 1.00 71.34 O ATOM 1538 CB VAL B 63 -2.870 1.998 -4.363 1.00 31.43 C ATOM 1539 CG1 VAL B 63 -2.302 3.337 -4.862 1.00 55.12 C ATOM 1540 CG2 VAL B 63 -1.863 1.442 -3.355 1.00 35.01 C ATOM 0 H VAL B 63 -4.817 0.127 -3.849 1.00 32.33 H new ATOM 0 HA VAL B 63 -4.222 2.916 -2.986 1.00 64.32 H new ATOM 0 HB VAL B 63 -3.001 1.313 -5.200 1.00 31.43 H new ATOM 0 HG11 VAL B 63 -1.309 3.177 -5.283 1.00 55.12 H new ATOM 0 HG12 VAL B 63 -2.959 3.748 -5.628 1.00 55.12 H new ATOM 0 HG13 VAL B 63 -2.234 4.037 -4.029 1.00 55.12 H new ATOM 0 HG21 VAL B 63 -0.884 1.358 -3.827 1.00 35.01 H new ATOM 0 HG22 VAL B 63 -1.797 2.113 -2.499 1.00 35.01 H new ATOM 0 HG23 VAL B 63 -2.190 0.458 -3.020 1.00 35.01 H new ATOM 1550 N TYR B 64 -5.522 3.824 -4.995 1.00 30.41 N ATOM 1551 CA TYR B 64 -6.430 4.409 -5.970 1.00 71.22 C ATOM 1552 C TYR B 64 -5.613 5.321 -6.881 1.00 10.31 C ATOM 1553 O TYR B 64 -4.442 5.611 -6.613 1.00 52.24 O ATOM 1554 CB TYR B 64 -7.572 5.147 -5.274 1.00 10.03 C ATOM 1555 CG TYR B 64 -8.687 4.230 -4.826 1.00 61.25 C ATOM 1556 CD1 TYR B 64 -9.711 3.895 -5.731 1.00 51.34 C ATOM 1557 CD2 TYR B 64 -8.689 3.696 -3.525 1.00 1.24 C ATOM 1558 CE1 TYR B 64 -10.752 3.038 -5.339 1.00 42.23 C ATOM 1559 CE2 TYR B 64 -9.732 2.847 -3.118 1.00 1.31 C ATOM 1560 CZ TYR B 64 -10.771 2.526 -4.025 1.00 43.54 C ATOM 1561 OH TYR B 64 -11.799 1.738 -3.617 1.00 53.25 O ATOM 0 H TYR B 64 -5.046 4.530 -4.434 1.00 30.41 H new ATOM 0 HA TYR B 64 -6.901 3.633 -6.574 1.00 71.22 H new ATOM 0 HB2 TYR B 64 -7.178 5.679 -4.408 1.00 10.03 H new ATOM 0 HB3 TYR B 64 -7.978 5.898 -5.952 1.00 10.03 H new ATOM 0 HD1 TYR B 64 -9.696 4.299 -6.732 1.00 51.34 H new ATOM 0 HD2 TYR B 64 -7.890 3.938 -2.840 1.00 1.24 H new ATOM 0 HE1 TYR B 64 -11.532 2.773 -6.038 1.00 42.23 H new ATOM 0 HE2 TYR B 64 -9.741 2.441 -2.117 1.00 1.31 H new ATOM 0 HH TYR B 64 -12.278 1.394 -4.400 1.00 53.25 H new ATOM 1570 N GLU B 65 -6.208 5.724 -7.998 1.00 33.53 N ATOM 1571 CA GLU B 65 -5.554 6.570 -8.974 1.00 53.22 C ATOM 1572 C GLU B 65 -5.267 7.979 -8.449 1.00 72.14 C ATOM 1573 O GLU B 65 -4.102 8.373 -8.283 1.00 4.33 O ATOM 1574 CB GLU B 65 -6.424 6.649 -10.229 1.00 42.35 C ATOM 1575 CG GLU B 65 -6.479 5.366 -11.053 1.00 73.31 C ATOM 1576 CD GLU B 65 -6.996 5.685 -12.455 1.00 14.04 C ATOM 1577 OE1 GLU B 65 -7.981 6.453 -12.590 1.00 44.40 O ATOM 1578 OE2 GLU B 65 -6.362 5.243 -13.437 1.00 71.14 O ATOM 0 H GLU B 65 -7.163 5.468 -8.248 1.00 33.53 H new ATOM 0 HA GLU B 65 -4.588 6.120 -9.202 1.00 53.22 H new ATOM 0 HB2 GLU B 65 -7.438 6.918 -9.934 1.00 42.35 H new ATOM 0 HB3 GLU B 65 -6.052 7.455 -10.862 1.00 42.35 H new ATOM 0 HG2 GLU B 65 -5.488 4.916 -11.113 1.00 73.31 H new ATOM 0 HG3 GLU B 65 -7.131 4.638 -10.570 1.00 73.31 H new ATOM 1583 N ASP B 66 -6.325 8.761 -8.232 1.00 53.15 N ATOM 1584 CA ASP B 66 -6.226 10.132 -7.765 1.00 62.24 C ATOM 1585 C ASP B 66 -6.640 10.238 -6.316 1.00 0.24 C ATOM 1586 O ASP B 66 -7.509 9.515 -5.826 1.00 41.44 O ATOM 1587 CB ASP B 66 -7.089 11.073 -8.632 1.00 33.15 C ATOM 1588 CG ASP B 66 -6.367 11.525 -9.900 1.00 65.01 C ATOM 1589 OD1 ASP B 66 -5.117 11.633 -9.886 1.00 54.25 O ATOM 1590 OD2 ASP B 66 -7.028 11.861 -10.909 1.00 65.21 O ATOM 0 H ASP B 66 -7.285 8.450 -8.380 1.00 53.15 H new ATOM 0 HA ASP B 66 -5.183 10.438 -7.853 1.00 62.24 H new ATOM 0 HB2 ASP B 66 -8.013 10.564 -8.906 1.00 33.15 H new ATOM 0 HB3 ASP B 66 -7.369 11.948 -8.045 1.00 33.15 H new ATOM 1594 N ILE B 67 -6.014 11.181 -5.613 1.00 62.23 N ATOM 1595 CA ILE B 67 -6.293 11.453 -4.207 1.00 53.12 C ATOM 1596 C ILE B 67 -7.773 11.822 -4.046 1.00 74.24 C ATOM 1597 O ILE B 67 -8.381 11.508 -3.034 1.00 53.14 O ATOM 1598 CB ILE B 67 -5.313 12.532 -3.694 1.00 53.34 C ATOM 1599 CG1 ILE B 67 -5.560 12.852 -2.206 1.00 34.44 C ATOM 1600 CG2 ILE B 67 -5.355 13.829 -4.535 1.00 13.23 C ATOM 1601 CD1 ILE B 67 -4.377 13.564 -1.541 1.00 22.21 C ATOM 0 H ILE B 67 -5.292 11.783 -6.009 1.00 62.23 H new ATOM 0 HA ILE B 67 -6.129 10.570 -3.589 1.00 53.12 H new ATOM 0 HB ILE B 67 -4.314 12.109 -3.802 1.00 53.34 H new ATOM 0 HG12 ILE B 67 -6.449 13.476 -2.117 1.00 34.44 H new ATOM 0 HG13 ILE B 67 -5.767 11.925 -1.670 1.00 34.44 H new ATOM 0 HG21 ILE B 67 -4.646 14.550 -4.128 1.00 13.23 H new ATOM 0 HG22 ILE B 67 -5.089 13.602 -5.567 1.00 13.23 H new ATOM 0 HG23 ILE B 67 -6.360 14.251 -4.504 1.00 13.23 H new ATOM 0 HD11 ILE B 67 -4.612 13.762 -0.495 1.00 22.21 H new ATOM 0 HD12 ILE B 67 -3.491 12.931 -1.600 1.00 22.21 H new ATOM 0 HD13 ILE B 67 -4.184 14.506 -2.054 1.00 22.21 H new ATOM 1612 N PHE B 68 -8.364 12.459 -5.060 1.00 53.32 N ATOM 1613 CA PHE B 68 -9.756 12.877 -5.082 1.00 60.35 C ATOM 1614 C PHE B 68 -10.722 11.689 -5.046 1.00 22.20 C ATOM 1615 O PHE B 68 -11.812 11.825 -4.485 1.00 10.32 O ATOM 1616 CB PHE B 68 -9.981 13.713 -6.347 1.00 5.40 C ATOM 1617 CG PHE B 68 -9.063 14.921 -6.467 1.00 15.54 C ATOM 1618 CD1 PHE B 68 -8.988 15.863 -5.421 1.00 25.22 C ATOM 1619 CD2 PHE B 68 -8.286 15.108 -7.628 1.00 30.14 C ATOM 1620 CE1 PHE B 68 -8.143 16.981 -5.532 1.00 13.14 C ATOM 1621 CE2 PHE B 68 -7.455 16.237 -7.747 1.00 30.12 C ATOM 1622 CZ PHE B 68 -7.383 17.173 -6.699 1.00 31.45 C ATOM 0 H PHE B 68 -7.864 12.703 -5.915 1.00 53.32 H new ATOM 0 HA PHE B 68 -9.961 13.466 -4.188 1.00 60.35 H new ATOM 0 HB2 PHE B 68 -9.841 13.076 -7.220 1.00 5.40 H new ATOM 0 HB3 PHE B 68 -11.016 14.054 -6.364 1.00 5.40 H new ATOM 0 HD1 PHE B 68 -9.583 15.725 -4.530 1.00 25.22 H new ATOM 0 HD2 PHE B 68 -8.329 14.383 -8.428 1.00 30.14 H new ATOM 0 HE1 PHE B 68 -8.078 17.692 -4.721 1.00 13.14 H new ATOM 0 HE2 PHE B 68 -6.872 16.385 -8.644 1.00 30.12 H new ATOM 0 HZ PHE B 68 -6.744 18.039 -6.791 1.00 31.45 H new ATOM 1631 N ASP B 69 -10.320 10.548 -5.608 1.00 5.14 N ATOM 1632 CA ASP B 69 -11.118 9.327 -5.667 1.00 23.03 C ATOM 1633 C ASP B 69 -11.204 8.773 -4.245 1.00 60.00 C ATOM 1634 O ASP B 69 -12.272 8.670 -3.639 1.00 3.15 O ATOM 1635 CB ASP B 69 -10.487 8.264 -6.608 1.00 23.42 C ATOM 1636 CG ASP B 69 -10.014 8.744 -7.980 1.00 50.03 C ATOM 1637 OD1 ASP B 69 -10.507 9.777 -8.478 1.00 33.10 O ATOM 1638 OD2 ASP B 69 -9.114 8.088 -8.555 1.00 61.43 O ATOM 0 H ASP B 69 -9.404 10.447 -6.046 1.00 5.14 H new ATOM 0 HA ASP B 69 -12.105 9.558 -6.069 1.00 23.03 H new ATOM 0 HB2 ASP B 69 -9.636 7.819 -6.093 1.00 23.42 H new ATOM 0 HB3 ASP B 69 -11.218 7.470 -6.761 1.00 23.42 H new ATOM 1642 N ALA B 70 -10.035 8.459 -3.684 1.00 4.43 N ATOM 1643 CA ALA B 70 -9.879 7.903 -2.354 1.00 23.42 C ATOM 1644 C ALA B 70 -10.312 8.846 -1.235 1.00 62.30 C ATOM 1645 O ALA B 70 -10.652 8.357 -0.156 1.00 25.34 O ATOM 1646 CB ALA B 70 -8.416 7.537 -2.145 1.00 13.52 C ATOM 0 H ALA B 70 -9.146 8.592 -4.166 1.00 4.43 H new ATOM 0 HA ALA B 70 -10.531 7.031 -2.300 1.00 23.42 H new ATOM 0 HB1 ALA B 70 -8.285 7.117 -1.148 1.00 13.52 H new ATOM 0 HB2 ALA B 70 -8.115 6.801 -2.891 1.00 13.52 H new ATOM 0 HB3 ALA B 70 -7.799 8.430 -2.247 1.00 13.52 H new ATOM 1652 N LYS B 71 -10.291 10.166 -1.448 1.00 4.34 N ATOM 1653 CA LYS B 71 -10.671 11.159 -0.445 1.00 32.43 C ATOM 1654 C LYS B 71 -12.081 10.888 0.047 1.00 42.30 C ATOM 1655 O LYS B 71 -12.274 10.672 1.249 1.00 32.43 O ATOM 1656 CB LYS B 71 -10.517 12.597 -0.977 1.00 5.31 C ATOM 1657 CG LYS B 71 -9.261 13.312 -0.485 1.00 43.55 C ATOM 1658 CD LYS B 71 -9.353 13.739 0.989 1.00 73.33 C ATOM 1659 CE LYS B 71 -10.369 14.838 1.282 1.00 1.31 C ATOM 1660 NZ LYS B 71 -10.015 16.128 0.669 1.00 1.03 N ATOM 0 H LYS B 71 -10.005 10.578 -2.336 1.00 4.34 H new ATOM 0 HA LYS B 71 -9.990 11.069 0.401 1.00 32.43 H new ATOM 0 HB2 LYS B 71 -10.504 12.570 -2.067 1.00 5.31 H new ATOM 0 HB3 LYS B 71 -11.391 13.177 -0.683 1.00 5.31 H new ATOM 0 HG2 LYS B 71 -8.401 12.655 -0.614 1.00 43.55 H new ATOM 0 HG3 LYS B 71 -9.085 14.193 -1.103 1.00 43.55 H new ATOM 0 HD2 LYS B 71 -9.604 12.865 1.589 1.00 73.33 H new ATOM 0 HD3 LYS B 71 -8.370 14.078 1.315 1.00 73.33 H new ATOM 0 HE2 LYS B 71 -11.348 14.526 0.918 1.00 1.31 H new ATOM 0 HE3 LYS B 71 -10.456 14.967 2.361 1.00 1.31 H new ATOM 0 HZ1 LYS B 71 -10.733 16.839 0.917 1.00 1.03 H new ATOM 0 HZ2 LYS B 71 -9.086 16.436 1.021 1.00 1.03 H new ATOM 0 HZ3 LYS B 71 -9.976 16.022 -0.365 1.00 1.03 H new ATOM 1670 N ASN B 72 -13.061 10.922 -0.862 1.00 1.32 N ATOM 1671 CA ASN B 72 -14.436 10.670 -0.459 1.00 22.41 C ATOM 1672 C ASN B 72 -14.638 9.190 -0.166 1.00 32.03 C ATOM 1673 O ASN B 72 -15.296 8.859 0.815 1.00 51.23 O ATOM 1674 CB ASN B 72 -15.455 11.125 -1.504 1.00 24.51 C ATOM 1675 CG ASN B 72 -16.858 10.975 -0.921 1.00 61.54 C ATOM 1676 OD1 ASN B 72 -17.110 11.311 0.230 1.00 62.11 O ATOM 1677 ND2 ASN B 72 -17.806 10.469 -1.685 1.00 20.11 N ATOM 0 H ASN B 72 -12.928 11.117 -1.854 1.00 1.32 H new ATOM 0 HA ASN B 72 -14.607 11.259 0.442 1.00 22.41 H new ATOM 0 HB2 ASN B 72 -15.271 12.162 -1.783 1.00 24.51 H new ATOM 0 HB3 ASN B 72 -15.357 10.528 -2.411 1.00 24.51 H new ATOM 0 HD21 ASN B 72 -18.751 10.357 -1.318 1.00 20.11 H new ATOM 0 HD22 ASN B 72 -17.594 10.190 -2.643 1.00 20.11 H new ATOM 1683 N ALA B 73 -14.041 8.295 -0.965 1.00 52.01 N ATOM 1684 CA ALA B 73 -14.195 6.860 -0.752 1.00 71.43 C ATOM 1685 C ALA B 73 -13.789 6.427 0.652 1.00 21.24 C ATOM 1686 O ALA B 73 -14.395 5.505 1.174 1.00 15.53 O ATOM 1687 CB ALA B 73 -13.403 6.061 -1.779 1.00 1.11 C ATOM 0 H ALA B 73 -13.451 8.543 -1.759 1.00 52.01 H new ATOM 0 HA ALA B 73 -15.258 6.651 -0.872 1.00 71.43 H new ATOM 0 HB1 ALA B 73 -13.538 4.995 -1.594 1.00 1.11 H new ATOM 0 HB2 ALA B 73 -13.758 6.303 -2.781 1.00 1.11 H new ATOM 0 HB3 ALA B 73 -12.345 6.312 -1.698 1.00 1.11 H new ATOM 1693 N CYS B 74 -12.789 7.063 1.272 1.00 33.25 N ATOM 1694 CA CYS B 74 -12.357 6.715 2.619 1.00 32.14 C ATOM 1695 C CYS B 74 -13.534 6.937 3.573 1.00 41.22 C ATOM 1696 O CYS B 74 -13.926 6.019 4.288 1.00 61.22 O ATOM 1697 CB CYS B 74 -11.114 7.545 2.972 1.00 13.55 C ATOM 1698 SG CYS B 74 -10.539 7.287 4.677 1.00 23.01 S ATOM 0 H CYS B 74 -12.262 7.829 0.852 1.00 33.25 H new ATOM 0 HA CYS B 74 -12.067 5.667 2.700 1.00 32.14 H new ATOM 0 HB2 CYS B 74 -10.309 7.292 2.282 1.00 13.55 H new ATOM 0 HB3 CYS B 74 -11.338 8.602 2.827 1.00 13.55 H new ATOM 0 HG CYS B 74 -9.360 7.816 4.822 1.00 23.01 H new ATOM 1703 N ASP B 75 -14.126 8.132 3.546 1.00 14.42 N ATOM 1704 CA ASP B 75 -15.259 8.480 4.405 1.00 41.15 C ATOM 1705 C ASP B 75 -16.474 7.611 4.080 1.00 61.13 C ATOM 1706 O ASP B 75 -17.205 7.190 4.980 1.00 40.33 O ATOM 1707 CB ASP B 75 -15.642 9.961 4.256 1.00 3.32 C ATOM 1708 CG ASP B 75 -14.649 10.970 4.836 1.00 24.31 C ATOM 1709 OD1 ASP B 75 -13.568 10.599 5.342 1.00 61.42 O ATOM 1710 OD2 ASP B 75 -14.955 12.182 4.772 1.00 73.12 O ATOM 0 H ASP B 75 -13.833 8.887 2.927 1.00 14.42 H new ATOM 0 HA ASP B 75 -14.949 8.299 5.434 1.00 41.15 H new ATOM 0 HB2 ASP B 75 -15.773 10.178 3.196 1.00 3.32 H new ATOM 0 HB3 ASP B 75 -16.609 10.116 4.735 1.00 3.32 H new ATOM 1714 N HIS B 76 -16.700 7.334 2.793 1.00 30.30 N ATOM 1715 CA HIS B 76 -17.812 6.509 2.348 1.00 45.12 C ATOM 1716 C HIS B 76 -17.580 5.026 2.630 1.00 71.31 C ATOM 1717 O HIS B 76 -18.570 4.290 2.659 1.00 25.43 O ATOM 1718 CB HIS B 76 -18.110 6.724 0.850 1.00 35.33 C ATOM 1719 CG HIS B 76 -19.281 7.637 0.560 1.00 71.14 C ATOM 1720 ND1 HIS B 76 -19.590 8.167 -0.663 1.00 41.12 N flip ATOM 1721 CD2 HIS B 76 -20.283 8.015 1.427 1.00 1.35 C flip ATOM 1722 CE1 HIS B 76 -20.764 8.920 -0.531 1.00 73.54 C flip ATOM 1723 NE2 HIS B 76 -21.137 8.798 0.756 1.00 73.23 N flip ATOM 0 H HIS B 76 -16.113 7.679 2.034 1.00 30.30 H new ATOM 0 HA HIS B 76 -18.681 6.826 2.925 1.00 45.12 H new ATOM 0 HB2 HIS B 76 -17.220 7.135 0.372 1.00 35.33 H new ATOM 0 HB3 HIS B 76 -18.300 5.755 0.389 1.00 35.33 H new ATOM 0 HD2 HIS B 76 -20.365 7.730 2.465 1.00 1.35 H new ATOM 0 HE1 HIS B 76 -21.267 9.483 -1.304 1.00 73.54 H new ATOM 0 HE2 HIS B 76 -21.959 9.242 1.165 1.00 73.23 H new ATOM 1730 N LEU B 77 -16.348 4.569 2.871 1.00 2.41 N ATOM 1731 CA LEU B 77 -16.045 3.167 3.135 1.00 52.12 C ATOM 1732 C LEU B 77 -15.929 2.887 4.627 1.00 63.04 C ATOM 1733 O LEU B 77 -16.272 1.781 5.048 1.00 24.24 O ATOM 1734 CB LEU B 77 -14.804 2.730 2.351 1.00 62.24 C ATOM 1735 CG LEU B 77 -14.443 1.241 2.509 1.00 20.23 C ATOM 1736 CD1 LEU B 77 -15.605 0.294 2.224 1.00 53.34 C ATOM 1737 CD2 LEU B 77 -13.321 0.912 1.522 1.00 61.12 C ATOM 0 H LEU B 77 -15.526 5.173 2.888 1.00 2.41 H new ATOM 0 HA LEU B 77 -16.880 2.562 2.782 1.00 52.12 H new ATOM 0 HB2 LEU B 77 -14.964 2.942 1.294 1.00 62.24 H new ATOM 0 HB3 LEU B 77 -13.955 3.333 2.673 1.00 62.24 H new ATOM 0 HG LEU B 77 -14.151 1.095 3.549 1.00 20.23 H new ATOM 0 HD11 LEU B 77 -15.275 -0.737 2.355 1.00 53.34 H new ATOM 0 HD12 LEU B 77 -16.423 0.504 2.913 1.00 53.34 H new ATOM 0 HD13 LEU B 77 -15.948 0.437 1.199 1.00 53.34 H new ATOM 0 HD21 LEU B 77 -13.049 -0.139 1.617 1.00 61.12 H new ATOM 0 HD22 LEU B 77 -13.662 1.108 0.505 1.00 61.12 H new ATOM 0 HD23 LEU B 77 -12.452 1.532 1.739 1.00 61.12 H new ATOM 1748 N SER B 78 -15.452 3.828 5.444 1.00 20.21 N ATOM 1749 CA SER B 78 -15.381 3.597 6.878 1.00 15.35 C ATOM 1750 C SER B 78 -16.823 3.414 7.373 1.00 22.25 C ATOM 1751 O SER B 78 -17.778 3.893 6.751 1.00 41.14 O ATOM 1752 CB SER B 78 -14.636 4.742 7.561 1.00 1.40 C ATOM 1753 OG SER B 78 -13.266 4.622 7.270 1.00 30.51 O ATOM 0 H SER B 78 -15.115 4.741 5.139 1.00 20.21 H new ATOM 0 HA SER B 78 -14.813 2.700 7.124 1.00 15.35 H new ATOM 0 HB2 SER B 78 -15.015 5.702 7.210 1.00 1.40 H new ATOM 0 HB3 SER B 78 -14.798 4.710 8.638 1.00 1.40 H new ATOM 0 HG SER B 78 -12.775 5.352 7.701 1.00 30.51 H new ATOM 1758 N GLY B 79 -17.004 2.665 8.455 1.00 65.41 N ATOM 1759 CA GLY B 79 -18.314 2.374 9.033 1.00 43.21 C ATOM 1760 C GLY B 79 -19.216 1.526 8.120 1.00 22.21 C ATOM 1761 O GLY B 79 -20.393 1.358 8.430 1.00 35.30 O ATOM 0 H GLY B 79 -16.232 2.235 8.965 1.00 65.41 H new ATOM 0 HA2 GLY B 79 -18.176 1.852 9.980 1.00 43.21 H new ATOM 0 HA3 GLY B 79 -18.819 3.313 9.258 1.00 43.21 H new ATOM 1765 N PHE B 80 -18.699 0.972 7.010 1.00 44.43 N ATOM 1766 CA PHE B 80 -19.481 0.119 6.120 1.00 65.15 C ATOM 1767 C PHE B 80 -19.643 -1.215 6.845 1.00 4.32 C ATOM 1768 O PHE B 80 -18.654 -1.813 7.286 1.00 60.53 O ATOM 1769 CB PHE B 80 -18.832 -0.131 4.743 1.00 42.23 C ATOM 1770 CG PHE B 80 -19.698 -0.940 3.776 1.00 44.41 C ATOM 1771 CD1 PHE B 80 -21.103 -0.805 3.749 1.00 61.43 C ATOM 1772 CD2 PHE B 80 -19.092 -1.879 2.920 1.00 35.32 C ATOM 1773 CE1 PHE B 80 -21.888 -1.650 2.945 1.00 23.01 C ATOM 1774 CE2 PHE B 80 -19.873 -2.698 2.083 1.00 35.21 C ATOM 1775 CZ PHE B 80 -21.275 -2.606 2.116 1.00 61.25 C ATOM 0 H PHE B 80 -17.733 1.106 6.712 1.00 44.43 H new ATOM 0 HA PHE B 80 -20.425 0.620 5.907 1.00 65.15 H new ATOM 0 HB2 PHE B 80 -18.598 0.830 4.285 1.00 42.23 H new ATOM 0 HB3 PHE B 80 -17.887 -0.653 4.890 1.00 42.23 H new ATOM 0 HD1 PHE B 80 -21.579 -0.046 4.351 1.00 61.43 H new ATOM 0 HD2 PHE B 80 -18.016 -1.972 2.905 1.00 35.32 H new ATOM 0 HE1 PHE B 80 -22.964 -1.565 2.964 1.00 23.01 H new ATOM 0 HE2 PHE B 80 -19.394 -3.398 1.414 1.00 35.21 H new ATOM 0 HZ PHE B 80 -21.877 -3.265 1.509 1.00 61.25 H new ATOM 1784 N ASN B 81 -20.885 -1.644 7.002 1.00 72.24 N ATOM 1785 CA ASN B 81 -21.279 -2.872 7.662 1.00 62.11 C ATOM 1786 C ASN B 81 -21.124 -4.062 6.715 1.00 72.20 C ATOM 1787 O ASN B 81 -21.812 -4.109 5.697 1.00 62.03 O ATOM 1788 CB ASN B 81 -22.744 -2.685 8.049 1.00 34.34 C ATOM 1789 CG ASN B 81 -23.391 -3.963 8.538 1.00 20.12 C ATOM 1790 OD1 ASN B 81 -22.750 -4.819 9.143 1.00 44.42 O ATOM 1791 ND2 ASN B 81 -24.680 -4.107 8.304 1.00 45.50 N ATOM 0 H ASN B 81 -21.685 -1.115 6.653 1.00 72.24 H new ATOM 0 HA ASN B 81 -20.657 -3.075 8.534 1.00 62.11 H new ATOM 0 HB2 ASN B 81 -22.815 -1.926 8.828 1.00 34.34 H new ATOM 0 HB3 ASN B 81 -23.297 -2.310 7.188 1.00 34.34 H new ATOM 0 HD21 ASN B 81 -25.167 -4.943 8.627 1.00 45.50 H new ATOM 0 HD22 ASN B 81 -25.191 -3.382 7.800 1.00 45.50 H new ATOM 1797 N VAL B 82 -20.246 -5.018 7.034 1.00 62.24 N ATOM 1798 CA VAL B 82 -20.014 -6.208 6.213 1.00 71.31 C ATOM 1799 C VAL B 82 -19.804 -7.422 7.110 1.00 31.11 C ATOM 1800 O VAL B 82 -19.160 -7.292 8.143 1.00 61.15 O ATOM 1801 CB VAL B 82 -18.791 -6.018 5.289 1.00 12.14 C ATOM 1802 CG1 VAL B 82 -19.108 -5.072 4.130 1.00 2.50 C ATOM 1803 CG2 VAL B 82 -17.534 -5.501 6.009 1.00 70.23 C ATOM 0 H VAL B 82 -19.672 -4.986 7.877 1.00 62.24 H new ATOM 0 HA VAL B 82 -20.891 -6.366 5.586 1.00 71.31 H new ATOM 0 HB VAL B 82 -18.572 -7.019 4.918 1.00 12.14 H new ATOM 0 HG11 VAL B 82 -18.226 -4.961 3.500 1.00 2.50 H new ATOM 0 HG12 VAL B 82 -19.927 -5.482 3.539 1.00 2.50 H new ATOM 0 HG13 VAL B 82 -19.398 -4.098 4.524 1.00 2.50 H new ATOM 0 HG21 VAL B 82 -16.721 -5.395 5.291 1.00 70.23 H new ATOM 0 HG22 VAL B 82 -17.747 -4.533 6.462 1.00 70.23 H new ATOM 0 HG23 VAL B 82 -17.242 -6.209 6.785 1.00 70.23 H new ATOM 1813 N CYS B 83 -20.322 -8.590 6.720 1.00 22.21 N ATOM 1814 CA CYS B 83 -20.241 -9.889 7.399 1.00 25.10 C ATOM 1815 C CYS B 83 -20.011 -9.833 8.922 1.00 44.22 C ATOM 1816 O CYS B 83 -19.055 -10.430 9.421 1.00 43.00 O ATOM 1817 CB CYS B 83 -19.184 -10.768 6.708 1.00 63.14 C ATOM 1818 SG CYS B 83 -19.544 -10.987 4.941 1.00 35.23 S ATOM 0 H CYS B 83 -20.852 -8.658 5.851 1.00 22.21 H new ATOM 0 HA CYS B 83 -21.232 -10.333 7.302 1.00 25.10 H new ATOM 0 HB2 CYS B 83 -18.200 -10.314 6.825 1.00 63.14 H new ATOM 0 HB3 CYS B 83 -19.146 -11.742 7.195 1.00 63.14 H new ATOM 0 HG CYS B 83 -18.626 -11.732 4.400 1.00 35.23 H new ATOM 1823 N ASN B 84 -20.907 -9.179 9.669 1.00 4.11 N ATOM 1824 CA ASN B 84 -20.855 -9.038 11.131 1.00 73.14 C ATOM 1825 C ASN B 84 -19.546 -8.409 11.654 1.00 63.11 C ATOM 1826 O ASN B 84 -19.118 -8.696 12.777 1.00 41.32 O ATOM 1827 CB ASN B 84 -21.176 -10.378 11.834 1.00 34.01 C ATOM 1828 CG ASN B 84 -22.452 -11.057 11.347 1.00 13.30 C ATOM 1829 OD1 ASN B 84 -22.421 -11.933 10.480 1.00 55.32 O ATOM 1830 ND2 ASN B 84 -23.600 -10.743 11.928 1.00 52.11 N ATOM 0 H ASN B 84 -21.718 -8.716 9.259 1.00 4.11 H new ATOM 0 HA ASN B 84 -21.635 -8.323 11.391 1.00 73.14 H new ATOM 0 HB2 ASN B 84 -20.338 -11.060 11.689 1.00 34.01 H new ATOM 0 HB3 ASN B 84 -21.260 -10.200 12.906 1.00 34.01 H new ATOM 0 HD21 ASN B 84 -24.457 -11.226 11.658 1.00 52.11 H new ATOM 0 HD22 ASN B 84 -23.627 -10.018 12.645 1.00 52.11 H new ATOM 1836 N ARG B 85 -18.872 -7.576 10.856 1.00 34.23 N ATOM 1837 CA ARG B 85 -17.619 -6.871 11.134 1.00 22.43 C ATOM 1838 C ARG B 85 -17.771 -5.395 10.751 1.00 72.31 C ATOM 1839 O ARG B 85 -18.726 -5.016 10.066 1.00 42.00 O ATOM 1840 CB ARG B 85 -16.490 -7.507 10.299 1.00 33.02 C ATOM 1841 CG ARG B 85 -16.159 -8.944 10.721 1.00 14.41 C ATOM 1842 CD ARG B 85 -15.308 -9.645 9.661 1.00 32.50 C ATOM 1843 NE ARG B 85 -15.060 -11.048 10.022 1.00 55.23 N ATOM 1844 CZ ARG B 85 -14.055 -11.504 10.775 1.00 23.43 C ATOM 1845 NH1 ARG B 85 -13.174 -10.678 11.343 1.00 13.32 N ATOM 1846 NH2 ARG B 85 -13.949 -12.812 10.956 1.00 62.51 N ATOM 0 H ARG B 85 -19.218 -7.360 9.921 1.00 34.23 H new ATOM 0 HA ARG B 85 -17.379 -6.946 12.195 1.00 22.43 H new ATOM 0 HB2 ARG B 85 -16.778 -7.502 9.248 1.00 33.02 H new ATOM 0 HB3 ARG B 85 -15.593 -6.894 10.387 1.00 33.02 H new ATOM 0 HG2 ARG B 85 -15.626 -8.934 11.672 1.00 14.41 H new ATOM 0 HG3 ARG B 85 -17.082 -9.502 10.879 1.00 14.41 H new ATOM 0 HD2 ARG B 85 -15.813 -9.599 8.696 1.00 32.50 H new ATOM 0 HD3 ARG B 85 -14.358 -9.122 9.549 1.00 32.50 H new ATOM 0 HE ARG B 85 -15.718 -11.740 9.663 1.00 55.23 H new ATOM 0 HH11 ARG B 85 -13.258 -9.671 11.207 1.00 13.32 H new ATOM 0 HH12 ARG B 85 -12.416 -11.054 11.913 1.00 13.32 H new ATOM 0 HH21 ARG B 85 -14.625 -13.443 10.525 1.00 62.51 H new ATOM 0 HH22 ARG B 85 -13.192 -13.188 11.526 1.00 62.51 H new ATOM 1857 N TYR B 86 -16.812 -4.569 11.170 1.00 60.44 N ATOM 1858 CA TYR B 86 -16.759 -3.138 10.896 1.00 74.53 C ATOM 1859 C TYR B 86 -15.308 -2.806 10.576 1.00 52.01 C ATOM 1860 O TYR B 86 -14.447 -2.846 11.463 1.00 42.21 O ATOM 1861 CB TYR B 86 -17.302 -2.308 12.062 1.00 15.13 C ATOM 1862 CG TYR B 86 -18.793 -2.477 12.255 1.00 55.10 C ATOM 1863 CD1 TYR B 86 -19.701 -1.714 11.491 1.00 21.53 C ATOM 1864 CD2 TYR B 86 -19.271 -3.436 13.163 1.00 33.04 C ATOM 1865 CE1 TYR B 86 -21.086 -1.908 11.636 1.00 24.21 C ATOM 1866 CE2 TYR B 86 -20.651 -3.631 13.314 1.00 62.25 C ATOM 1867 CZ TYR B 86 -21.563 -2.874 12.550 1.00 42.42 C ATOM 1868 OH TYR B 86 -22.892 -3.071 12.734 1.00 2.42 O ATOM 0 H TYR B 86 -16.023 -4.893 11.730 1.00 60.44 H new ATOM 0 HA TYR B 86 -17.401 -2.885 10.052 1.00 74.53 H new ATOM 0 HB2 TYR B 86 -16.786 -2.595 12.978 1.00 15.13 H new ATOM 0 HB3 TYR B 86 -17.079 -1.255 11.888 1.00 15.13 H new ATOM 0 HD1 TYR B 86 -19.331 -0.978 10.792 1.00 21.53 H new ATOM 0 HD2 TYR B 86 -18.576 -4.023 13.745 1.00 33.04 H new ATOM 0 HE1 TYR B 86 -21.781 -1.322 11.052 1.00 24.21 H new ATOM 0 HE2 TYR B 86 -21.017 -4.364 14.018 1.00 62.25 H new ATOM 0 HH TYR B 86 -23.029 -3.776 13.400 1.00 2.42 H new ATOM 1877 N LEU B 87 -15.028 -2.604 9.289 1.00 11.43 N ATOM 1878 CA LEU B 87 -13.706 -2.294 8.758 1.00 40.13 C ATOM 1879 C LEU B 87 -13.284 -0.885 9.190 1.00 42.03 C ATOM 1880 O LEU B 87 -14.126 -0.057 9.540 1.00 54.42 O ATOM 1881 CB LEU B 87 -13.694 -2.387 7.221 1.00 35.03 C ATOM 1882 CG LEU B 87 -14.503 -3.527 6.581 1.00 14.32 C ATOM 1883 CD1 LEU B 87 -14.535 -3.347 5.061 1.00 1.23 C ATOM 1884 CD2 LEU B 87 -13.957 -4.893 6.997 1.00 61.25 C ATOM 0 H LEU B 87 -15.743 -2.654 8.563 1.00 11.43 H new ATOM 0 HA LEU B 87 -13.001 -3.024 9.156 1.00 40.13 H new ATOM 0 HB2 LEU B 87 -14.066 -1.443 6.822 1.00 35.03 H new ATOM 0 HB3 LEU B 87 -12.658 -2.484 6.896 1.00 35.03 H new ATOM 0 HG LEU B 87 -15.530 -3.486 6.944 1.00 14.32 H new ATOM 0 HD11 LEU B 87 -15.109 -4.157 4.611 1.00 1.23 H new ATOM 0 HD12 LEU B 87 -15.001 -2.392 4.817 1.00 1.23 H new ATOM 0 HD13 LEU B 87 -13.517 -3.364 4.671 1.00 1.23 H new ATOM 0 HD21 LEU B 87 -14.549 -5.679 6.529 1.00 61.25 H new ATOM 0 HD22 LEU B 87 -12.918 -4.982 6.678 1.00 61.25 H new ATOM 0 HD23 LEU B 87 -14.014 -4.993 8.081 1.00 61.25 H new ATOM 1895 N VAL B 88 -11.985 -0.590 9.130 1.00 34.31 N ATOM 1896 CA VAL B 88 -11.414 0.699 9.512 1.00 10.51 C ATOM 1897 C VAL B 88 -10.439 1.148 8.414 1.00 15.53 C ATOM 1898 O VAL B 88 -9.491 0.412 8.121 1.00 53.14 O ATOM 1899 CB VAL B 88 -10.730 0.555 10.893 1.00 64.14 C ATOM 1900 CG1 VAL B 88 -10.218 1.904 11.404 1.00 1.35 C ATOM 1901 CG2 VAL B 88 -11.655 -0.048 11.967 1.00 61.34 C ATOM 0 H VAL B 88 -11.285 -1.258 8.806 1.00 34.31 H new ATOM 0 HA VAL B 88 -12.183 1.465 9.607 1.00 10.51 H new ATOM 0 HB VAL B 88 -9.898 -0.130 10.730 1.00 64.14 H new ATOM 0 HG11 VAL B 88 -9.743 1.769 12.376 1.00 1.35 H new ATOM 0 HG12 VAL B 88 -9.492 2.309 10.699 1.00 1.35 H new ATOM 0 HG13 VAL B 88 -11.054 2.597 11.502 1.00 1.35 H new ATOM 0 HG21 VAL B 88 -11.116 -0.122 12.911 1.00 61.34 H new ATOM 0 HG22 VAL B 88 -12.528 0.592 12.097 1.00 61.34 H new ATOM 0 HG23 VAL B 88 -11.977 -1.041 11.654 1.00 61.34 H new ATOM 1911 N VAL B 89 -10.651 2.333 7.820 1.00 73.33 N ATOM 1912 CA VAL B 89 -9.805 2.893 6.763 1.00 63.14 C ATOM 1913 C VAL B 89 -8.821 3.901 7.381 1.00 53.33 C ATOM 1914 O VAL B 89 -9.212 4.735 8.209 1.00 44.25 O ATOM 1915 CB VAL B 89 -10.663 3.575 5.668 1.00 43.33 C ATOM 1916 CG1 VAL B 89 -9.788 3.932 4.450 1.00 71.24 C ATOM 1917 CG2 VAL B 89 -11.826 2.723 5.135 1.00 35.22 C ATOM 0 H VAL B 89 -11.433 2.939 8.069 1.00 73.33 H new ATOM 0 HA VAL B 89 -9.248 2.084 6.291 1.00 63.14 H new ATOM 0 HB VAL B 89 -11.082 4.452 6.162 1.00 43.33 H new ATOM 0 HG11 VAL B 89 -10.403 4.411 3.688 1.00 71.24 H new ATOM 0 HG12 VAL B 89 -8.996 4.614 4.758 1.00 71.24 H new ATOM 0 HG13 VAL B 89 -9.345 3.024 4.041 1.00 71.24 H new ATOM 0 HG21 VAL B 89 -12.368 3.283 4.374 1.00 35.22 H new ATOM 0 HG22 VAL B 89 -11.434 1.804 4.699 1.00 35.22 H new ATOM 0 HG23 VAL B 89 -12.502 2.476 5.954 1.00 35.22 H new ATOM 1927 N LEU B 90 -7.547 3.861 6.977 1.00 73.21 N ATOM 1928 CA LEU B 90 -6.499 4.760 7.457 1.00 13.12 C ATOM 1929 C LEU B 90 -5.475 4.985 6.343 1.00 45.22 C ATOM 1930 O LEU B 90 -5.306 4.123 5.484 1.00 55.11 O ATOM 1931 CB LEU B 90 -5.856 4.125 8.702 1.00 13.33 C ATOM 1932 CG LEU B 90 -4.710 4.930 9.339 1.00 33.45 C ATOM 1933 CD1 LEU B 90 -5.169 6.330 9.755 1.00 52.03 C ATOM 1934 CD2 LEU B 90 -4.167 4.172 10.556 1.00 55.13 C ATOM 0 H LEU B 90 -7.211 3.185 6.291 1.00 73.21 H new ATOM 0 HA LEU B 90 -6.908 5.733 7.730 1.00 13.12 H new ATOM 0 HB2 LEU B 90 -6.632 3.974 9.453 1.00 13.33 H new ATOM 0 HB3 LEU B 90 -5.478 3.139 8.431 1.00 13.33 H new ATOM 0 HG LEU B 90 -3.922 5.048 8.595 1.00 33.45 H new ATOM 0 HD11 LEU B 90 -4.333 6.869 10.201 1.00 52.03 H new ATOM 0 HD12 LEU B 90 -5.524 6.872 8.878 1.00 52.03 H new ATOM 0 HD13 LEU B 90 -5.977 6.247 10.482 1.00 52.03 H new ATOM 0 HD21 LEU B 90 -3.355 4.742 11.007 1.00 55.13 H new ATOM 0 HD22 LEU B 90 -4.965 4.037 11.286 1.00 55.13 H new ATOM 0 HD23 LEU B 90 -3.794 3.197 10.241 1.00 55.13 H new ATOM 1945 N TYR B 91 -4.772 6.119 6.349 1.00 32.42 N ATOM 1946 CA TYR B 91 -3.759 6.465 5.353 1.00 55.34 C ATOM 1947 C TYR B 91 -2.387 5.963 5.793 1.00 51.54 C ATOM 1948 O TYR B 91 -2.115 5.888 6.999 1.00 61.21 O ATOM 1949 CB TYR B 91 -3.679 7.993 5.208 1.00 74.52 C ATOM 1950 CG TYR B 91 -5.019 8.700 5.243 1.00 40.42 C ATOM 1951 CD1 TYR B 91 -5.970 8.439 4.244 1.00 62.14 C ATOM 1952 CD2 TYR B 91 -5.337 9.560 6.312 1.00 43.22 C ATOM 1953 CE1 TYR B 91 -7.249 9.010 4.321 1.00 25.12 C ATOM 1954 CE2 TYR B 91 -6.605 10.159 6.381 1.00 4.35 C ATOM 1955 CZ TYR B 91 -7.564 9.888 5.381 1.00 74.10 C ATOM 1956 OH TYR B 91 -8.788 10.481 5.433 1.00 61.00 O ATOM 0 H TYR B 91 -4.895 6.837 7.063 1.00 32.42 H new ATOM 0 HA TYR B 91 -4.038 6.002 4.407 1.00 55.34 H new ATOM 0 HB2 TYR B 91 -3.053 8.389 6.008 1.00 74.52 H new ATOM 0 HB3 TYR B 91 -3.182 8.230 4.267 1.00 74.52 H new ATOM 0 HD1 TYR B 91 -5.716 7.797 3.414 1.00 62.14 H new ATOM 0 HD2 TYR B 91 -4.604 9.759 7.080 1.00 43.22 H new ATOM 0 HE1 TYR B 91 -7.991 8.779 3.571 1.00 25.12 H new ATOM 0 HE2 TYR B 91 -6.846 10.825 7.196 1.00 4.35 H new ATOM 0 HH TYR B 91 -8.841 11.054 6.227 1.00 61.00 H new ATOM 1965 N TYR B 92 -1.541 5.577 4.840 1.00 51.33 N ATOM 1966 CA TYR B 92 -0.186 5.115 5.116 1.00 33.43 C ATOM 1967 C TYR B 92 0.633 6.376 5.413 1.00 54.21 C ATOM 1968 O TYR B 92 0.618 7.310 4.607 1.00 34.31 O ATOM 1969 CB TYR B 92 0.341 4.351 3.892 1.00 62.10 C ATOM 1970 CG TYR B 92 1.774 3.841 3.957 1.00 14.14 C ATOM 1971 CD1 TYR B 92 2.286 3.220 5.116 1.00 2.20 C ATOM 1972 CD2 TYR B 92 2.588 3.938 2.813 1.00 70.10 C ATOM 1973 CE1 TYR B 92 3.602 2.721 5.130 1.00 64.50 C ATOM 1974 CE2 TYR B 92 3.889 3.406 2.808 1.00 35.33 C ATOM 1975 CZ TYR B 92 4.410 2.802 3.974 1.00 65.01 C ATOM 1976 OH TYR B 92 5.649 2.234 3.966 1.00 21.01 O ATOM 0 H TYR B 92 -1.780 5.577 3.848 1.00 51.33 H new ATOM 0 HA TYR B 92 -0.131 4.430 5.962 1.00 33.43 H new ATOM 0 HB2 TYR B 92 -0.314 3.497 3.718 1.00 62.10 H new ATOM 0 HB3 TYR B 92 0.253 5.003 3.023 1.00 62.10 H new ATOM 0 HD1 TYR B 92 1.666 3.127 5.995 1.00 2.20 H new ATOM 0 HD2 TYR B 92 2.208 4.427 1.928 1.00 70.10 H new ATOM 0 HE1 TYR B 92 3.997 2.273 6.030 1.00 64.50 H new ATOM 0 HE2 TYR B 92 4.490 3.459 1.913 1.00 35.33 H new ATOM 0 HH TYR B 92 6.070 2.381 3.093 1.00 21.01 H new ATOM 1985 N ASN B 93 1.244 6.465 6.599 1.00 64.11 N ATOM 1986 CA ASN B 93 2.053 7.632 6.961 1.00 61.14 C ATOM 1987 C ASN B 93 3.317 7.643 6.116 1.00 0.31 C ATOM 1988 O ASN B 93 3.915 8.732 5.960 1.00 72.24 O ATOM 1989 CB ASN B 93 2.411 7.665 8.463 1.00 54.12 C ATOM 1990 CG ASN B 93 1.285 8.167 9.359 1.00 72.22 C ATOM 1991 OD1 ASN B 93 0.207 8.534 8.896 1.00 42.05 O ATOM 1992 ND2 ASN B 93 1.475 8.202 10.665 1.00 55.35 N ATOM 0 H ASN B 93 1.194 5.746 7.321 1.00 64.11 H new ATOM 0 HA ASN B 93 1.459 8.524 6.764 1.00 61.14 H new ATOM 0 HB2 ASN B 93 2.694 6.661 8.780 1.00 54.12 H new ATOM 0 HB3 ASN B 93 3.284 8.302 8.604 1.00 54.12 H new ATOM 0 HD21 ASN B 93 0.731 8.531 11.280 1.00 55.35 H new ATOM 0 HD22 ASN B 93 2.366 7.900 11.059 1.00 55.35 H new