USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 29 TYR OH : rot -18:sc= 0.0774 USER MOD Set 1.2: A 70 SER OG : rot 84:sc= 1.37 USER MOD Single : A 24 MET CE :methyl -151:sc= -0.13 (180deg=-0.82) USER MOD Single : A 30 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.19) USER MOD Single : A 35 LYS NZ :NH3+ 142:sc= 1.13 (180deg=0.266) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 179:sc= -0.983 (180deg=-1.03) USER MOD Single : A 40 LYS NZ :NH3+ 136:sc= 0.359 (180deg=-0.451) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.388 K(o=0.39,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0.693 (180deg=0.681) USER MOD Single : A 76 THR OG1 : rot -20:sc= 0.128 USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.012) USER MOD Single : A 90 MET CE :methyl -171:sc= -3.1! (180deg=-3.35!) USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 0.571 (180deg=0.536) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc=-0.00728 X(o=-0.0073,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.089 8.764 1.161 1.00 21.45 N ATOM 369 CA MET A 24 -9.782 7.483 0.502 1.00 23.41 C ATOM 370 C MET A 24 -8.264 7.261 0.440 1.00 31.41 C ATOM 371 O MET A 24 -7.488 8.000 1.060 1.00 13.22 O ATOM 372 CB MET A 24 -10.433 7.442 -0.907 1.00 52.13 C ATOM 373 CG MET A 24 -11.941 7.137 -0.897 1.00 32.30 C ATOM 374 SD MET A 24 -12.774 7.746 -2.362 1.00 71.04 S ATOM 375 CE MET A 24 -12.660 9.500 -2.048 1.00 12.03 C ATOM 0 HA MET A 24 -10.204 6.666 1.087 1.00 23.41 H new ATOM 0 HB2 MET A 24 -10.271 8.402 -1.398 1.00 52.13 H new ATOM 0 HB3 MET A 24 -9.925 6.687 -1.508 1.00 52.13 H new ATOM 0 HG2 MET A 24 -12.090 6.060 -0.819 1.00 32.30 H new ATOM 0 HG3 MET A 24 -12.393 7.586 -0.013 1.00 32.30 H new ATOM 0 HE1 MET A 24 -13.505 10.008 -2.513 1.00 12.03 H new ATOM 0 HE2 MET A 24 -12.675 9.679 -0.973 1.00 12.03 H new ATOM 0 HE3 MET A 24 -11.730 9.885 -2.467 1.00 12.03 H new ATOM 385 N GLY A 25 -7.852 6.213 -0.299 1.00 23.30 N ATOM 386 CA GLY A 25 -6.469 5.736 -0.295 1.00 13.42 C ATOM 387 C GLY A 25 -6.276 4.730 0.822 1.00 70.12 C ATOM 388 O GLY A 25 -5.896 3.581 0.584 1.00 12.41 O ATOM 0 H GLY A 25 -8.471 5.680 -0.910 1.00 23.30 H new ATOM 0 HA2 GLY A 25 -6.230 5.278 -1.255 1.00 13.42 H new ATOM 0 HA3 GLY A 25 -5.786 6.575 -0.163 1.00 13.42 H new ATOM 392 N ARG A 26 -6.605 5.175 2.046 1.00 63.42 N ATOM 393 CA ARG A 26 -6.600 4.347 3.262 1.00 31.01 C ATOM 394 C ARG A 26 -7.534 3.133 3.110 1.00 44.30 C ATOM 395 O ARG A 26 -7.220 2.053 3.608 1.00 75.03 O ATOM 396 CB ARG A 26 -7.003 5.219 4.474 1.00 33.01 C ATOM 397 CG ARG A 26 -6.835 4.539 5.850 1.00 61.54 C ATOM 398 CD ARG A 26 -7.069 5.519 7.004 1.00 34.13 C ATOM 399 NE ARG A 26 -6.166 6.683 6.930 1.00 1.44 N ATOM 400 CZ ARG A 26 -5.465 7.189 7.954 1.00 55.23 C ATOM 401 NH1 ARG A 26 -5.544 6.651 9.175 1.00 13.11 N ATOM 402 NH2 ARG A 26 -4.676 8.222 7.744 1.00 24.11 N ATOM 0 H ARG A 26 -6.887 6.139 2.221 1.00 63.42 H new ATOM 0 HA ARG A 26 -5.595 3.957 3.425 1.00 31.01 H new ATOM 0 HB2 ARG A 26 -6.407 6.131 4.461 1.00 33.01 H new ATOM 0 HB3 ARG A 26 -8.045 5.518 4.358 1.00 33.01 H new ATOM 0 HG2 ARG A 26 -7.535 3.708 5.932 1.00 61.54 H new ATOM 0 HG3 ARG A 26 -5.832 4.120 5.928 1.00 61.54 H new ATOM 0 HD2 ARG A 26 -8.104 5.861 6.986 1.00 34.13 H new ATOM 0 HD3 ARG A 26 -6.920 5.004 7.953 1.00 34.13 H new ATOM 0 HE ARG A 26 -6.067 7.141 6.024 1.00 1.44 H new ATOM 0 HH11 ARG A 26 -6.145 5.843 9.338 1.00 13.11 H new ATOM 0 HH12 ARG A 26 -5.004 7.049 9.943 1.00 13.11 H new ATOM 0 HH21 ARG A 26 -4.604 8.627 6.811 1.00 24.11 H new ATOM 0 HH22 ARG A 26 -4.137 8.617 8.515 1.00 24.11 H new ATOM 416 N ALA A 27 -8.663 3.327 2.398 1.00 4.43 N ATOM 417 CA ALA A 27 -9.594 2.241 2.054 1.00 43.54 C ATOM 418 C ALA A 27 -8.874 1.113 1.278 1.00 50.22 C ATOM 419 O ALA A 27 -9.030 -0.062 1.616 1.00 24.40 O ATOM 420 CB ALA A 27 -10.780 2.791 1.248 1.00 2.24 C ATOM 0 H ALA A 27 -8.952 4.240 2.047 1.00 4.43 H new ATOM 0 HA ALA A 27 -9.975 1.812 2.981 1.00 43.54 H new ATOM 0 HB1 ALA A 27 -11.461 1.976 1.000 1.00 2.24 H new ATOM 0 HB2 ALA A 27 -11.308 3.538 1.841 1.00 2.24 H new ATOM 0 HB3 ALA A 27 -10.414 3.250 0.330 1.00 2.24 H new ATOM 426 N LEU A 28 -8.051 1.492 0.262 1.00 1.55 N ATOM 427 CA LEU A 28 -7.245 0.517 -0.513 1.00 23.01 C ATOM 428 C LEU A 28 -6.170 -0.144 0.369 1.00 51.45 C ATOM 429 O LEU A 28 -5.866 -1.321 0.197 1.00 40.22 O ATOM 430 CB LEU A 28 -6.573 1.158 -1.763 1.00 54.42 C ATOM 431 CG LEU A 28 -7.498 1.405 -2.984 1.00 12.03 C ATOM 432 CD1 LEU A 28 -6.721 2.013 -4.170 1.00 43.13 C ATOM 433 CD2 LEU A 28 -8.246 0.122 -3.393 1.00 73.44 C ATOM 0 H LEU A 28 -7.931 2.460 -0.035 1.00 1.55 H new ATOM 0 HA LEU A 28 -7.943 -0.244 -0.861 1.00 23.01 H new ATOM 0 HB2 LEU A 28 -6.135 2.111 -1.466 1.00 54.42 H new ATOM 0 HB3 LEU A 28 -5.752 0.514 -2.079 1.00 54.42 H new ATOM 0 HG LEU A 28 -8.248 2.136 -2.682 1.00 12.03 H new ATOM 0 HD11 LEU A 28 -7.401 2.172 -5.007 1.00 43.13 H new ATOM 0 HD12 LEU A 28 -6.286 2.966 -3.870 1.00 43.13 H new ATOM 0 HD13 LEU A 28 -5.927 1.331 -4.473 1.00 43.13 H new ATOM 0 HD21 LEU A 28 -8.885 0.331 -4.251 1.00 73.44 H new ATOM 0 HD22 LEU A 28 -7.525 -0.651 -3.657 1.00 73.44 H new ATOM 0 HD23 LEU A 28 -8.859 -0.223 -2.560 1.00 73.44 H new ATOM 445 N TYR A 29 -5.606 0.641 1.317 1.00 23.02 N ATOM 446 CA TYR A 29 -4.566 0.162 2.253 1.00 60.02 C ATOM 447 C TYR A 29 -5.079 -1.031 3.083 1.00 33.14 C ATOM 448 O TYR A 29 -4.368 -2.029 3.234 1.00 50.41 O ATOM 449 CB TYR A 29 -4.091 1.315 3.193 1.00 24.45 C ATOM 450 CG TYR A 29 -3.062 0.896 4.265 1.00 11.12 C ATOM 451 CD1 TYR A 29 -1.777 0.497 3.903 1.00 74.22 C ATOM 452 CD2 TYR A 29 -3.380 0.893 5.632 1.00 54.35 C ATOM 453 CE1 TYR A 29 -0.852 0.107 4.852 1.00 33.41 C ATOM 454 CE2 TYR A 29 -2.451 0.505 6.581 1.00 20.44 C ATOM 455 CZ TYR A 29 -1.188 0.114 6.183 1.00 42.01 C ATOM 456 OH TYR A 29 -0.254 -0.274 7.121 1.00 11.43 O ATOM 0 H TYR A 29 -5.859 1.620 1.453 1.00 23.02 H new ATOM 0 HA TYR A 29 -3.714 -0.174 1.662 1.00 60.02 H new ATOM 0 HB2 TYR A 29 -3.656 2.106 2.582 1.00 24.45 H new ATOM 0 HB3 TYR A 29 -4.962 1.740 3.692 1.00 24.45 H new ATOM 0 HD1 TYR A 29 -1.499 0.493 2.860 1.00 74.22 H new ATOM 0 HD2 TYR A 29 -4.366 1.199 5.948 1.00 54.35 H new ATOM 0 HE1 TYR A 29 0.136 -0.204 4.547 1.00 33.41 H new ATOM 0 HE2 TYR A 29 -2.713 0.508 7.629 1.00 20.44 H new ATOM 0 HH TYR A 29 0.460 -0.782 6.681 1.00 11.43 H new ATOM 466 N ASN A 30 -6.329 -0.922 3.596 1.00 75.32 N ATOM 467 CA ASN A 30 -6.954 -1.983 4.412 1.00 73.33 C ATOM 468 C ASN A 30 -7.255 -3.237 3.571 1.00 32.45 C ATOM 469 O ASN A 30 -7.153 -4.357 4.078 1.00 32.01 O ATOM 470 CB ASN A 30 -8.242 -1.492 5.107 1.00 3.21 C ATOM 471 CG ASN A 30 -7.999 -0.353 6.095 1.00 4.53 C ATOM 472 OD1 ASN A 30 -7.544 -0.575 7.214 1.00 0.43 O ATOM 473 ND2 ASN A 30 -8.332 0.866 5.715 1.00 61.43 N ATOM 0 H ASN A 30 -6.923 -0.105 3.456 1.00 75.32 H new ATOM 0 HA ASN A 30 -6.231 -2.247 5.184 1.00 73.33 H new ATOM 0 HB2 ASN A 30 -8.952 -1.161 4.349 1.00 3.21 H new ATOM 0 HB3 ASN A 30 -8.704 -2.328 5.633 1.00 3.21 H new ATOM 0 HD21 ASN A 30 -8.214 1.650 6.356 1.00 61.43 H new ATOM 0 HD22 ASN A 30 -8.708 1.024 4.780 1.00 61.43 H new ATOM 480 N ILE A 31 -7.623 -3.034 2.286 1.00 34.24 N ATOM 481 CA ILE A 31 -7.818 -4.133 1.326 1.00 55.41 C ATOM 482 C ILE A 31 -6.487 -4.886 1.127 1.00 30.15 C ATOM 483 O ILE A 31 -6.459 -6.122 1.060 1.00 72.01 O ATOM 484 CB ILE A 31 -8.348 -3.604 -0.062 1.00 4.14 C ATOM 485 CG1 ILE A 31 -9.739 -2.927 0.104 1.00 24.12 C ATOM 486 CG2 ILE A 31 -8.402 -4.727 -1.124 1.00 35.34 C ATOM 487 CD1 ILE A 31 -10.299 -2.286 -1.159 1.00 42.32 C ATOM 0 H ILE A 31 -7.791 -2.108 1.892 1.00 34.24 H new ATOM 0 HA ILE A 31 -8.570 -4.810 1.733 1.00 55.41 H new ATOM 0 HB ILE A 31 -7.640 -2.856 -0.420 1.00 4.14 H new ATOM 0 HG12 ILE A 31 -10.449 -3.673 0.460 1.00 24.12 H new ATOM 0 HG13 ILE A 31 -9.664 -2.163 0.878 1.00 24.12 H new ATOM 0 HG21 ILE A 31 -8.772 -4.320 -2.065 1.00 35.34 H new ATOM 0 HG22 ILE A 31 -7.402 -5.135 -1.273 1.00 35.34 H new ATOM 0 HG23 ILE A 31 -9.069 -5.518 -0.783 1.00 35.34 H new ATOM 0 HD11 ILE A 31 -11.270 -1.841 -0.942 1.00 42.32 H new ATOM 0 HD12 ILE A 31 -9.616 -1.512 -1.508 1.00 42.32 H new ATOM 0 HD13 ILE A 31 -10.413 -3.045 -1.933 1.00 42.32 H new ATOM 499 N GLY A 32 -5.394 -4.107 1.052 1.00 24.00 N ATOM 500 CA GLY A 32 -4.049 -4.647 0.938 1.00 1.44 C ATOM 501 C GLY A 32 -3.646 -5.456 2.160 1.00 30.44 C ATOM 502 O GLY A 32 -2.965 -6.465 2.023 1.00 43.11 O ATOM 0 H GLY A 32 -5.429 -3.088 1.070 1.00 24.00 H new ATOM 0 HA2 GLY A 32 -3.987 -5.278 0.051 1.00 1.44 H new ATOM 0 HA3 GLY A 32 -3.342 -3.829 0.797 1.00 1.44 H new ATOM 506 N LEU A 33 -4.071 -4.992 3.360 1.00 2.01 N ATOM 507 CA LEU A 33 -3.798 -5.679 4.642 1.00 1.23 C ATOM 508 C LEU A 33 -4.469 -7.060 4.663 1.00 42.13 C ATOM 509 O LEU A 33 -3.885 -8.035 5.148 1.00 43.43 O ATOM 510 CB LEU A 33 -4.290 -4.828 5.855 1.00 4.44 C ATOM 511 CG LEU A 33 -3.564 -3.467 6.073 1.00 52.33 C ATOM 512 CD1 LEU A 33 -4.168 -2.681 7.253 1.00 45.23 C ATOM 513 CD2 LEU A 33 -2.052 -3.666 6.259 1.00 12.44 C ATOM 0 H LEU A 33 -4.611 -4.133 3.464 1.00 2.01 H new ATOM 0 HA LEU A 33 -2.719 -5.806 4.729 1.00 1.23 H new ATOM 0 HB2 LEU A 33 -5.355 -4.633 5.729 1.00 4.44 H new ATOM 0 HB3 LEU A 33 -4.180 -5.425 6.760 1.00 4.44 H new ATOM 0 HG LEU A 33 -3.716 -2.872 5.172 1.00 52.33 H new ATOM 0 HD11 LEU A 33 -3.635 -1.738 7.373 1.00 45.23 H new ATOM 0 HD12 LEU A 33 -5.221 -2.480 7.055 1.00 45.23 H new ATOM 0 HD13 LEU A 33 -4.076 -3.268 8.167 1.00 45.23 H new ATOM 0 HD21 LEU A 33 -1.573 -2.698 6.409 1.00 12.44 H new ATOM 0 HD22 LEU A 33 -1.872 -4.298 7.129 1.00 12.44 H new ATOM 0 HD23 LEU A 33 -1.636 -4.143 5.372 1.00 12.44 H new ATOM 525 N GLU A 34 -5.706 -7.110 4.136 1.00 72.44 N ATOM 526 CA GLU A 34 -6.508 -8.344 4.056 1.00 4.13 C ATOM 527 C GLU A 34 -5.895 -9.347 3.071 1.00 43.02 C ATOM 528 O GLU A 34 -5.811 -10.541 3.365 1.00 25.25 O ATOM 529 CB GLU A 34 -7.954 -8.001 3.639 1.00 11.45 C ATOM 530 CG GLU A 34 -8.727 -7.147 4.649 1.00 73.21 C ATOM 531 CD GLU A 34 -8.850 -7.807 6.036 1.00 62.03 C ATOM 532 OE1 GLU A 34 -9.681 -8.729 6.197 1.00 34.21 O ATOM 533 OE2 GLU A 34 -8.106 -7.412 6.971 1.00 24.31 O ATOM 0 H GLU A 34 -6.179 -6.292 3.752 1.00 72.44 H new ATOM 0 HA GLU A 34 -6.516 -8.810 5.042 1.00 4.13 H new ATOM 0 HB2 GLU A 34 -7.927 -7.475 2.685 1.00 11.45 H new ATOM 0 HB3 GLU A 34 -8.500 -8.930 3.476 1.00 11.45 H new ATOM 0 HG2 GLU A 34 -8.229 -6.183 4.756 1.00 73.21 H new ATOM 0 HG3 GLU A 34 -9.725 -6.949 4.259 1.00 73.21 H new ATOM 540 N LYS A 35 -5.474 -8.834 1.900 1.00 71.33 N ATOM 541 CA LYS A 35 -4.778 -9.622 0.873 1.00 14.41 C ATOM 542 C LYS A 35 -3.481 -10.212 1.459 1.00 41.51 C ATOM 543 O LYS A 35 -3.243 -11.418 1.375 1.00 32.22 O ATOM 544 CB LYS A 35 -4.485 -8.736 -0.388 1.00 12.25 C ATOM 545 CG LYS A 35 -5.512 -8.857 -1.536 1.00 53.10 C ATOM 546 CD LYS A 35 -6.942 -8.450 -1.156 1.00 71.50 C ATOM 547 CE LYS A 35 -7.874 -8.434 -2.382 1.00 34.12 C ATOM 548 NZ LYS A 35 -7.942 -9.760 -3.064 1.00 15.13 N ATOM 0 H LYS A 35 -5.609 -7.857 1.641 1.00 71.33 H new ATOM 0 HA LYS A 35 -5.416 -10.447 0.557 1.00 14.41 H new ATOM 0 HB2 LYS A 35 -4.437 -7.693 -0.075 1.00 12.25 H new ATOM 0 HB3 LYS A 35 -3.500 -8.999 -0.775 1.00 12.25 H new ATOM 0 HG2 LYS A 35 -5.181 -8.238 -2.370 1.00 53.10 H new ATOM 0 HG3 LYS A 35 -5.523 -9.888 -1.890 1.00 53.10 H new ATOM 0 HD2 LYS A 35 -7.332 -9.144 -0.411 1.00 71.50 H new ATOM 0 HD3 LYS A 35 -6.929 -7.462 -0.696 1.00 71.50 H new ATOM 0 HE2 LYS A 35 -8.875 -8.138 -2.070 1.00 34.12 H new ATOM 0 HE3 LYS A 35 -7.525 -7.682 -3.090 1.00 34.12 H new ATOM 0 HZ1 LYS A 35 -8.914 -9.933 -3.391 1.00 15.13 H new ATOM 0 HZ2 LYS A 35 -7.297 -9.764 -3.880 1.00 15.13 H new ATOM 0 HZ3 LYS A 35 -7.663 -10.508 -2.398 1.00 15.13 H new ATOM 562 N ASN A 36 -2.700 -9.337 2.116 1.00 3.13 N ATOM 563 CA ASN A 36 -1.406 -9.686 2.733 1.00 23.24 C ATOM 564 C ASN A 36 -1.595 -10.764 3.822 1.00 20.25 C ATOM 565 O ASN A 36 -0.764 -11.661 3.972 1.00 11.05 O ATOM 566 CB ASN A 36 -0.737 -8.420 3.347 1.00 62.40 C ATOM 567 CG ASN A 36 0.736 -8.613 3.714 1.00 41.11 C ATOM 568 OD1 ASN A 36 1.461 -9.360 3.053 1.00 54.34 O ATOM 569 ND2 ASN A 36 1.188 -7.942 4.766 1.00 44.12 N ATOM 0 H ASN A 36 -2.952 -8.356 2.236 1.00 3.13 H new ATOM 0 HA ASN A 36 -0.755 -10.086 1.956 1.00 23.24 H new ATOM 0 HB2 ASN A 36 -0.820 -7.597 2.637 1.00 62.40 H new ATOM 0 HB3 ASN A 36 -1.288 -8.127 4.240 1.00 62.40 H new ATOM 0 HD21 ASN A 36 2.163 -8.036 5.050 1.00 44.12 H new ATOM 0 HD22 ASN A 36 0.560 -7.332 5.290 1.00 44.12 H new ATOM 576 N LYS A 37 -2.727 -10.671 4.545 1.00 73.43 N ATOM 577 CA LYS A 37 -3.101 -11.617 5.604 1.00 73.15 C ATOM 578 C LYS A 37 -3.412 -13.011 5.012 1.00 35.01 C ATOM 579 O LYS A 37 -3.036 -14.034 5.592 1.00 14.45 O ATOM 580 CB LYS A 37 -4.324 -11.066 6.384 1.00 63.45 C ATOM 581 CG LYS A 37 -4.777 -11.932 7.581 1.00 31.21 C ATOM 582 CD LYS A 37 -3.651 -12.138 8.621 1.00 52.20 C ATOM 583 CE LYS A 37 -4.086 -13.026 9.788 1.00 70.22 C ATOM 584 NZ LYS A 37 -2.937 -13.360 10.666 1.00 13.52 N ATOM 0 H LYS A 37 -3.412 -9.928 4.406 1.00 73.43 H new ATOM 0 HA LYS A 37 -2.262 -11.729 6.291 1.00 73.15 H new ATOM 0 HB2 LYS A 37 -4.084 -10.067 6.747 1.00 63.45 H new ATOM 0 HB3 LYS A 37 -5.160 -10.962 5.693 1.00 63.45 H new ATOM 0 HG2 LYS A 37 -5.632 -11.459 8.064 1.00 31.21 H new ATOM 0 HG3 LYS A 37 -5.113 -12.903 7.217 1.00 31.21 H new ATOM 0 HD2 LYS A 37 -2.786 -12.585 8.131 1.00 52.20 H new ATOM 0 HD3 LYS A 37 -3.334 -11.168 9.005 1.00 52.20 H new ATOM 0 HE2 LYS A 37 -4.855 -12.517 10.369 1.00 70.22 H new ATOM 0 HE3 LYS A 37 -4.532 -13.943 9.404 1.00 70.22 H new ATOM 0 HZ1 LYS A 37 -3.262 -13.963 11.449 1.00 13.52 H new ATOM 0 HZ2 LYS A 37 -2.215 -13.867 10.115 1.00 13.52 H new ATOM 0 HZ3 LYS A 37 -2.528 -12.485 11.050 1.00 13.52 H new ATOM 598 N MET A 38 -4.085 -13.033 3.844 1.00 74.02 N ATOM 599 CA MET A 38 -4.438 -14.288 3.139 1.00 44.00 C ATOM 600 C MET A 38 -3.219 -14.881 2.392 1.00 22.40 C ATOM 601 O MET A 38 -3.298 -15.993 1.857 1.00 34.40 O ATOM 602 CB MET A 38 -5.604 -14.042 2.139 1.00 2.50 C ATOM 603 CG MET A 38 -6.912 -13.544 2.767 1.00 30.04 C ATOM 604 SD MET A 38 -8.256 -13.425 1.561 1.00 52.35 S ATOM 605 CE MET A 38 -7.541 -12.378 0.287 1.00 63.33 C ATOM 0 H MET A 38 -4.398 -12.190 3.363 1.00 74.02 H new ATOM 0 HA MET A 38 -4.758 -15.008 3.892 1.00 44.00 H new ATOM 0 HB2 MET A 38 -5.277 -13.314 1.397 1.00 2.50 H new ATOM 0 HB3 MET A 38 -5.806 -14.971 1.607 1.00 2.50 H new ATOM 0 HG2 MET A 38 -7.207 -14.220 3.570 1.00 30.04 H new ATOM 0 HG3 MET A 38 -6.746 -12.566 3.219 1.00 30.04 H new ATOM 0 HE1 MET A 38 -8.261 -12.243 -0.520 1.00 63.33 H new ATOM 0 HE2 MET A 38 -7.288 -11.407 0.713 1.00 63.33 H new ATOM 0 HE3 MET A 38 -6.639 -12.848 -0.106 1.00 63.33 H new ATOM 615 N GLY A 39 -2.106 -14.126 2.350 1.00 54.33 N ATOM 616 CA GLY A 39 -0.890 -14.553 1.653 1.00 41.21 C ATOM 617 C GLY A 39 -0.849 -14.054 0.217 1.00 30.11 C ATOM 618 O GLY A 39 0.098 -14.351 -0.517 1.00 4.30 O ATOM 0 H GLY A 39 -2.029 -13.212 2.796 1.00 54.33 H new ATOM 0 HA2 GLY A 39 -0.016 -14.184 2.190 1.00 41.21 H new ATOM 0 HA3 GLY A 39 -0.832 -15.641 1.660 1.00 41.21 H new ATOM 622 N LYS A 40 -1.889 -13.295 -0.178 1.00 1.04 N ATOM 623 CA LYS A 40 -1.950 -12.609 -1.476 1.00 72.23 C ATOM 624 C LYS A 40 -1.100 -11.325 -1.402 1.00 15.34 C ATOM 625 O LYS A 40 -1.626 -10.214 -1.407 1.00 74.43 O ATOM 626 CB LYS A 40 -3.425 -12.267 -1.855 1.00 11.03 C ATOM 627 CG LYS A 40 -4.399 -13.457 -1.897 1.00 42.31 C ATOM 628 CD LYS A 40 -3.970 -14.537 -2.917 1.00 50.23 C ATOM 629 CE LYS A 40 -5.110 -15.510 -3.252 1.00 74.35 C ATOM 630 NZ LYS A 40 -6.245 -14.812 -3.916 1.00 74.24 N ATOM 0 H LYS A 40 -2.715 -13.142 0.401 1.00 1.04 H new ATOM 0 HA LYS A 40 -1.554 -13.267 -2.250 1.00 72.23 H new ATOM 0 HB2 LYS A 40 -3.804 -11.537 -1.140 1.00 11.03 H new ATOM 0 HB3 LYS A 40 -3.427 -11.786 -2.833 1.00 11.03 H new ATOM 0 HG2 LYS A 40 -4.464 -13.904 -0.905 1.00 42.31 H new ATOM 0 HG3 LYS A 40 -5.396 -13.098 -2.151 1.00 42.31 H new ATOM 0 HD2 LYS A 40 -3.628 -14.053 -3.832 1.00 50.23 H new ATOM 0 HD3 LYS A 40 -3.124 -15.096 -2.516 1.00 50.23 H new ATOM 0 HE2 LYS A 40 -4.736 -16.300 -3.903 1.00 74.35 H new ATOM 0 HE3 LYS A 40 -5.461 -15.990 -2.338 1.00 74.35 H new ATOM 0 HZ1 LYS A 40 -6.579 -15.380 -4.721 1.00 74.24 H new ATOM 0 HZ2 LYS A 40 -7.021 -14.686 -3.235 1.00 74.24 H new ATOM 0 HZ3 LYS A 40 -5.929 -13.882 -4.257 1.00 74.24 H new ATOM 644 N ALA A 41 0.219 -11.511 -1.296 1.00 61.21 N ATOM 645 CA ALA A 41 1.189 -10.426 -1.085 1.00 31.23 C ATOM 646 C ALA A 41 1.479 -9.661 -2.393 1.00 23.53 C ATOM 647 O ALA A 41 1.860 -8.490 -2.364 1.00 14.24 O ATOM 648 CB ALA A 41 2.467 -11.014 -0.492 1.00 61.21 C ATOM 0 H ALA A 41 0.652 -12.433 -1.355 1.00 61.21 H new ATOM 0 HA ALA A 41 0.767 -9.702 -0.389 1.00 31.23 H new ATOM 0 HB1 ALA A 41 3.194 -10.218 -0.331 1.00 61.21 H new ATOM 0 HB2 ALA A 41 2.239 -11.494 0.459 1.00 61.21 H new ATOM 0 HB3 ALA A 41 2.882 -11.750 -1.180 1.00 61.21 H new ATOM 654 N ARG A 42 1.292 -10.357 -3.531 1.00 50.23 N ATOM 655 CA ARG A 42 1.359 -9.775 -4.884 1.00 12.34 C ATOM 656 C ARG A 42 0.200 -8.774 -5.068 1.00 3.31 C ATOM 657 O ARG A 42 0.424 -7.629 -5.481 1.00 52.33 O ATOM 658 CB ARG A 42 1.299 -10.916 -5.946 1.00 24.24 C ATOM 659 CG ARG A 42 1.271 -10.495 -7.439 1.00 50.34 C ATOM 660 CD ARG A 42 2.519 -9.697 -7.906 1.00 4.33 C ATOM 661 NE ARG A 42 2.421 -8.268 -7.560 1.00 45.31 N ATOM 662 CZ ARG A 42 1.997 -7.301 -8.396 1.00 63.34 C ATOM 663 NH1 ARG A 42 1.626 -7.576 -9.651 1.00 31.34 N ATOM 664 NH2 ARG A 42 1.927 -6.059 -7.970 1.00 43.15 N ATOM 0 H ARG A 42 1.087 -11.356 -3.535 1.00 50.23 H new ATOM 0 HA ARG A 42 2.298 -9.238 -5.016 1.00 12.34 H new ATOM 0 HB2 ARG A 42 2.162 -11.564 -5.794 1.00 24.24 H new ATOM 0 HB3 ARG A 42 0.411 -11.516 -5.748 1.00 24.24 H new ATOM 0 HG2 ARG A 42 1.176 -11.390 -8.054 1.00 50.34 H new ATOM 0 HG3 ARG A 42 0.381 -9.891 -7.617 1.00 50.34 H new ATOM 0 HD2 ARG A 42 3.413 -10.121 -7.448 1.00 4.33 H new ATOM 0 HD3 ARG A 42 2.634 -9.802 -8.985 1.00 4.33 H new ATOM 0 HE ARG A 42 2.695 -7.991 -6.617 1.00 45.31 H new ATOM 0 HH11 ARG A 42 1.661 -8.536 -9.994 1.00 31.34 H new ATOM 0 HH12 ARG A 42 1.308 -6.826 -10.265 1.00 31.34 H new ATOM 0 HH21 ARG A 42 2.193 -5.833 -7.012 1.00 43.15 H new ATOM 0 HH22 ARG A 42 1.607 -5.322 -8.598 1.00 43.15 H new ATOM 678 N GLU A 43 -1.029 -9.223 -4.720 1.00 54.45 N ATOM 679 CA GLU A 43 -2.234 -8.368 -4.741 1.00 73.11 C ATOM 680 C GLU A 43 -2.116 -7.227 -3.715 1.00 34.24 C ATOM 681 O GLU A 43 -2.466 -6.084 -4.009 1.00 71.52 O ATOM 682 CB GLU A 43 -3.513 -9.187 -4.445 1.00 45.13 C ATOM 683 CG GLU A 43 -3.907 -10.207 -5.521 1.00 3.23 C ATOM 684 CD GLU A 43 -5.280 -10.838 -5.237 1.00 44.23 C ATOM 685 OE1 GLU A 43 -6.302 -10.121 -5.346 1.00 1.24 O ATOM 686 OE2 GLU A 43 -5.352 -12.034 -4.888 1.00 32.14 O ATOM 0 H GLU A 43 -1.210 -10.181 -4.419 1.00 54.45 H new ATOM 0 HA GLU A 43 -2.309 -7.947 -5.743 1.00 73.11 H new ATOM 0 HB2 GLU A 43 -3.375 -9.715 -3.501 1.00 45.13 H new ATOM 0 HB3 GLU A 43 -4.343 -8.494 -4.304 1.00 45.13 H new ATOM 0 HG2 GLU A 43 -3.927 -9.718 -6.495 1.00 3.23 H new ATOM 0 HG3 GLU A 43 -3.151 -10.991 -5.573 1.00 3.23 H new ATOM 693 N ALA A 44 -1.588 -7.566 -2.522 1.00 22.42 N ATOM 694 CA ALA A 44 -1.415 -6.626 -1.403 1.00 2.25 C ATOM 695 C ALA A 44 -0.536 -5.451 -1.813 1.00 1.21 C ATOM 696 O ALA A 44 -0.893 -4.297 -1.575 1.00 24.34 O ATOM 697 CB ALA A 44 -0.799 -7.345 -0.198 1.00 75.35 C ATOM 0 H ALA A 44 -1.267 -8.511 -2.309 1.00 22.42 H new ATOM 0 HA ALA A 44 -2.397 -6.242 -1.126 1.00 2.25 H new ATOM 0 HB1 ALA A 44 -0.676 -6.639 0.623 1.00 75.35 H new ATOM 0 HB2 ALA A 44 -1.456 -8.156 0.116 1.00 75.35 H new ATOM 0 HB3 ALA A 44 0.173 -7.752 -0.475 1.00 75.35 H new ATOM 703 N ALA A 45 0.584 -5.783 -2.481 1.00 32.53 N ATOM 704 CA ALA A 45 1.567 -4.815 -2.975 1.00 23.35 C ATOM 705 C ALA A 45 0.925 -3.770 -3.911 1.00 15.32 C ATOM 706 O ALA A 45 1.342 -2.610 -3.932 1.00 51.21 O ATOM 707 CB ALA A 45 2.699 -5.562 -3.696 1.00 60.50 C ATOM 0 H ALA A 45 0.831 -6.750 -2.694 1.00 32.53 H new ATOM 0 HA ALA A 45 1.972 -4.272 -2.121 1.00 23.35 H new ATOM 0 HB1 ALA A 45 3.432 -4.844 -4.065 1.00 60.50 H new ATOM 0 HB2 ALA A 45 3.182 -6.249 -3.001 1.00 60.50 H new ATOM 0 HB3 ALA A 45 2.288 -6.124 -4.535 1.00 60.50 H new ATOM 713 N GLU A 46 -0.096 -4.213 -4.679 1.00 55.31 N ATOM 714 CA GLU A 46 -0.866 -3.346 -5.588 1.00 31.25 C ATOM 715 C GLU A 46 -1.661 -2.302 -4.796 1.00 12.43 C ATOM 716 O GLU A 46 -1.565 -1.105 -5.063 1.00 12.43 O ATOM 717 CB GLU A 46 -1.848 -4.177 -6.445 1.00 32.24 C ATOM 718 CG GLU A 46 -1.208 -5.285 -7.288 1.00 20.12 C ATOM 719 CD GLU A 46 -2.239 -5.974 -8.193 1.00 3.21 C ATOM 720 OE1 GLU A 46 -3.016 -6.805 -7.680 1.00 22.53 O ATOM 721 OE2 GLU A 46 -2.310 -5.644 -9.399 1.00 23.42 O ATOM 0 H GLU A 46 -0.407 -5.185 -4.683 1.00 55.31 H new ATOM 0 HA GLU A 46 -0.153 -2.844 -6.242 1.00 31.25 H new ATOM 0 HB2 GLU A 46 -2.588 -4.628 -5.784 1.00 32.24 H new ATOM 0 HB3 GLU A 46 -2.385 -3.501 -7.111 1.00 32.24 H new ATOM 0 HG2 GLU A 46 -0.411 -4.863 -7.900 1.00 20.12 H new ATOM 0 HG3 GLU A 46 -0.749 -6.024 -6.631 1.00 20.12 H new ATOM 728 N TYR A 47 -2.426 -2.785 -3.804 1.00 23.04 N ATOM 729 CA TYR A 47 -3.330 -1.941 -3.008 1.00 35.41 C ATOM 730 C TYR A 47 -2.561 -0.973 -2.105 1.00 21.43 C ATOM 731 O TYR A 47 -3.025 0.139 -1.868 1.00 34.13 O ATOM 732 CB TYR A 47 -4.275 -2.814 -2.163 1.00 55.10 C ATOM 733 CG TYR A 47 -5.264 -3.623 -2.995 1.00 33.12 C ATOM 734 CD1 TYR A 47 -6.336 -2.991 -3.612 1.00 61.23 C ATOM 735 CD2 TYR A 47 -5.134 -5.000 -3.160 1.00 61.24 C ATOM 736 CE1 TYR A 47 -7.242 -3.702 -4.370 1.00 2.33 C ATOM 737 CE2 TYR A 47 -6.032 -5.714 -3.916 1.00 10.21 C ATOM 738 CZ TYR A 47 -7.085 -5.067 -4.521 1.00 51.41 C ATOM 739 OH TYR A 47 -7.993 -5.786 -5.263 1.00 11.13 O ATOM 0 H TYR A 47 -2.435 -3.768 -3.532 1.00 23.04 H new ATOM 0 HA TYR A 47 -3.918 -1.346 -3.707 1.00 35.41 H new ATOM 0 HB2 TYR A 47 -3.680 -3.496 -1.556 1.00 55.10 H new ATOM 0 HB3 TYR A 47 -4.829 -2.175 -1.475 1.00 55.10 H new ATOM 0 HD1 TYR A 47 -6.462 -1.925 -3.496 1.00 61.23 H new ATOM 0 HD2 TYR A 47 -4.312 -5.516 -2.685 1.00 61.24 H new ATOM 0 HE1 TYR A 47 -8.070 -3.195 -4.843 1.00 2.33 H new ATOM 0 HE2 TYR A 47 -5.912 -6.781 -4.035 1.00 10.21 H new ATOM 0 HH TYR A 47 -7.735 -6.731 -5.269 1.00 11.13 H new ATOM 749 N PHE A 48 -1.385 -1.414 -1.614 1.00 72.04 N ATOM 750 CA PHE A 48 -0.488 -0.576 -0.797 1.00 54.21 C ATOM 751 C PHE A 48 0.108 0.553 -1.644 1.00 15.03 C ATOM 752 O PHE A 48 0.322 1.658 -1.149 1.00 63.12 O ATOM 753 CB PHE A 48 0.660 -1.414 -0.167 1.00 64.14 C ATOM 754 CG PHE A 48 0.229 -2.423 0.892 1.00 73.44 C ATOM 755 CD1 PHE A 48 -0.735 -2.091 1.831 1.00 43.00 C ATOM 756 CD2 PHE A 48 0.812 -3.691 0.967 1.00 34.13 C ATOM 757 CE1 PHE A 48 -1.112 -2.985 2.806 1.00 1.14 C ATOM 758 CE2 PHE A 48 0.430 -4.588 1.944 1.00 25.15 C ATOM 759 CZ PHE A 48 -0.530 -4.236 2.863 1.00 44.11 C ATOM 0 H PHE A 48 -1.033 -2.358 -1.773 1.00 72.04 H new ATOM 0 HA PHE A 48 -1.085 -0.150 0.010 1.00 54.21 H new ATOM 0 HB2 PHE A 48 1.177 -1.948 -0.964 1.00 64.14 H new ATOM 0 HB3 PHE A 48 1.383 -0.731 0.279 1.00 64.14 H new ATOM 0 HD1 PHE A 48 -1.197 -1.115 1.797 1.00 43.00 H new ATOM 0 HD2 PHE A 48 1.571 -3.972 0.252 1.00 34.13 H new ATOM 0 HE1 PHE A 48 -1.865 -2.708 3.529 1.00 1.14 H new ATOM 0 HE2 PHE A 48 0.885 -5.566 1.987 1.00 25.15 H new ATOM 0 HZ PHE A 48 -0.829 -4.937 3.628 1.00 44.11 H new ATOM 769 N PHE A 49 0.379 0.246 -2.927 1.00 34.24 N ATOM 770 CA PHE A 49 0.954 1.207 -3.875 1.00 4.41 C ATOM 771 C PHE A 49 -0.061 2.287 -4.252 1.00 22.51 C ATOM 772 O PHE A 49 0.237 3.475 -4.189 1.00 54.53 O ATOM 773 CB PHE A 49 1.447 0.489 -5.155 1.00 24.34 C ATOM 774 CG PHE A 49 2.105 1.426 -6.167 1.00 32.24 C ATOM 775 CD1 PHE A 49 3.150 2.255 -5.767 1.00 64.54 C ATOM 776 CD2 PHE A 49 1.698 1.483 -7.502 1.00 35.43 C ATOM 777 CE1 PHE A 49 3.760 3.103 -6.655 1.00 40.10 C ATOM 778 CE2 PHE A 49 2.323 2.339 -8.394 1.00 22.13 C ATOM 779 CZ PHE A 49 3.357 3.150 -7.968 1.00 64.13 C ATOM 0 H PHE A 49 0.204 -0.674 -3.330 1.00 34.24 H new ATOM 0 HA PHE A 49 1.803 1.682 -3.383 1.00 4.41 H new ATOM 0 HB2 PHE A 49 2.159 -0.287 -4.875 1.00 24.34 H new ATOM 0 HB3 PHE A 49 0.602 -0.010 -5.630 1.00 24.34 H new ATOM 0 HD1 PHE A 49 3.485 2.230 -4.741 1.00 64.54 H new ATOM 0 HD2 PHE A 49 0.889 0.854 -7.842 1.00 35.43 H new ATOM 0 HE1 PHE A 49 4.565 3.740 -6.319 1.00 40.10 H new ATOM 0 HE2 PHE A 49 2.001 2.372 -9.424 1.00 22.13 H new ATOM 0 HZ PHE A 49 3.846 3.817 -8.663 1.00 64.13 H new ATOM 789 N ARG A 50 -1.255 1.840 -4.651 1.00 43.22 N ATOM 790 CA ARG A 50 -2.337 2.718 -5.119 1.00 51.44 C ATOM 791 C ARG A 50 -2.888 3.562 -3.959 1.00 42.45 C ATOM 792 O ARG A 50 -3.347 4.689 -4.171 1.00 62.54 O ATOM 793 CB ARG A 50 -3.428 1.866 -5.810 1.00 32.04 C ATOM 794 CG ARG A 50 -2.884 1.081 -7.021 1.00 21.42 C ATOM 795 CD ARG A 50 -3.906 0.119 -7.644 1.00 63.13 C ATOM 796 NE ARG A 50 -3.279 -0.718 -8.686 1.00 22.42 N ATOM 797 CZ ARG A 50 -3.480 -2.035 -8.851 1.00 65.24 C ATOM 798 NH1 ARG A 50 -4.314 -2.710 -8.050 1.00 11.22 N ATOM 799 NH2 ARG A 50 -2.840 -2.682 -9.812 1.00 44.12 N ATOM 0 H ARG A 50 -1.502 0.850 -4.659 1.00 43.22 H new ATOM 0 HA ARG A 50 -1.952 3.422 -5.856 1.00 51.44 H new ATOM 0 HB2 ARG A 50 -3.851 1.167 -5.088 1.00 32.04 H new ATOM 0 HB3 ARG A 50 -4.240 2.516 -6.137 1.00 32.04 H new ATOM 0 HG2 ARG A 50 -2.553 1.788 -7.782 1.00 21.42 H new ATOM 0 HG3 ARG A 50 -2.007 0.513 -6.710 1.00 21.42 H new ATOM 0 HD2 ARG A 50 -4.331 -0.518 -6.868 1.00 63.13 H new ATOM 0 HD3 ARG A 50 -4.729 0.688 -8.076 1.00 63.13 H new ATOM 0 HE ARG A 50 -2.640 -0.257 -9.334 1.00 22.42 H new ATOM 0 HH11 ARG A 50 -4.807 -2.224 -7.301 1.00 11.22 H new ATOM 0 HH12 ARG A 50 -4.456 -3.711 -8.188 1.00 11.22 H new ATOM 0 HH21 ARG A 50 -2.197 -2.180 -10.424 1.00 44.12 H new ATOM 0 HH22 ARG A 50 -2.990 -3.683 -9.941 1.00 44.12 H new ATOM 813 N ALA A 51 -2.814 2.994 -2.739 1.00 51.11 N ATOM 814 CA ALA A 51 -3.049 3.731 -1.497 1.00 64.53 C ATOM 815 C ALA A 51 -1.986 4.827 -1.345 1.00 54.33 C ATOM 816 O ALA A 51 -2.325 6.000 -1.161 1.00 12.21 O ATOM 817 CB ALA A 51 -3.007 2.786 -0.289 1.00 70.44 C ATOM 0 H ALA A 51 -2.589 2.010 -2.595 1.00 51.11 H new ATOM 0 HA ALA A 51 -4.038 4.186 -1.539 1.00 64.53 H new ATOM 0 HB1 ALA A 51 -3.184 3.354 0.624 1.00 70.44 H new ATOM 0 HB2 ALA A 51 -3.778 2.023 -0.397 1.00 70.44 H new ATOM 0 HB3 ALA A 51 -2.029 2.308 -0.235 1.00 70.44 H new ATOM 823 N ALA A 52 -0.696 4.418 -1.481 1.00 21.54 N ATOM 824 CA ALA A 52 0.478 5.305 -1.315 1.00 24.24 C ATOM 825 C ALA A 52 0.457 6.479 -2.305 1.00 70.23 C ATOM 826 O ALA A 52 0.960 7.556 -1.989 1.00 73.53 O ATOM 827 CB ALA A 52 1.790 4.510 -1.464 1.00 60.44 C ATOM 0 H ALA A 52 -0.445 3.456 -1.710 1.00 21.54 H new ATOM 0 HA ALA A 52 0.425 5.719 -0.308 1.00 24.24 H new ATOM 0 HB1 ALA A 52 2.639 5.182 -1.338 1.00 60.44 H new ATOM 0 HB2 ALA A 52 1.830 3.729 -0.705 1.00 60.44 H new ATOM 0 HB3 ALA A 52 1.830 4.056 -2.454 1.00 60.44 H new ATOM 833 N ILE A 53 -0.122 6.242 -3.504 1.00 30.41 N ATOM 834 CA ILE A 53 -0.336 7.278 -4.525 1.00 51.23 C ATOM 835 C ILE A 53 -1.252 8.384 -3.958 1.00 73.43 C ATOM 836 O ILE A 53 -0.867 9.548 -3.930 1.00 62.45 O ATOM 837 CB ILE A 53 -0.959 6.667 -5.850 1.00 32.43 C ATOM 838 CG1 ILE A 53 0.049 5.694 -6.547 1.00 70.04 C ATOM 839 CG2 ILE A 53 -1.416 7.773 -6.835 1.00 10.53 C ATOM 840 CD1 ILE A 53 -0.503 4.921 -7.742 1.00 41.32 C ATOM 0 H ILE A 53 -0.454 5.320 -3.786 1.00 30.41 H new ATOM 0 HA ILE A 53 0.631 7.708 -4.786 1.00 51.23 H new ATOM 0 HB ILE A 53 -1.842 6.099 -5.557 1.00 32.43 H new ATOM 0 HG12 ILE A 53 0.914 6.270 -6.877 1.00 70.04 H new ATOM 0 HG13 ILE A 53 0.406 4.978 -5.807 1.00 70.04 H new ATOM 0 HG21 ILE A 53 -1.837 7.313 -7.729 1.00 10.53 H new ATOM 0 HG22 ILE A 53 -2.172 8.396 -6.357 1.00 10.53 H new ATOM 0 HG23 ILE A 53 -0.561 8.389 -7.112 1.00 10.53 H new ATOM 0 HD11 ILE A 53 0.276 4.277 -8.150 1.00 41.32 H new ATOM 0 HD12 ILE A 53 -1.347 4.311 -7.422 1.00 41.32 H new ATOM 0 HD13 ILE A 53 -0.832 5.623 -8.508 1.00 41.32 H new ATOM 852 N VAL A 54 -2.430 7.985 -3.442 1.00 50.02 N ATOM 853 CA VAL A 54 -3.444 8.929 -2.920 1.00 71.13 C ATOM 854 C VAL A 54 -2.896 9.701 -1.700 1.00 33.22 C ATOM 855 O VAL A 54 -3.104 10.912 -1.587 1.00 24.12 O ATOM 856 CB VAL A 54 -4.781 8.185 -2.550 1.00 72.11 C ATOM 857 CG1 VAL A 54 -5.881 9.175 -2.081 1.00 55.13 C ATOM 858 CG2 VAL A 54 -5.264 7.332 -3.747 1.00 32.51 C ATOM 0 H VAL A 54 -2.707 7.006 -3.374 1.00 50.02 H new ATOM 0 HA VAL A 54 -3.668 9.646 -3.710 1.00 71.13 H new ATOM 0 HB VAL A 54 -4.577 7.521 -1.710 1.00 72.11 H new ATOM 0 HG11 VAL A 54 -6.787 8.622 -1.835 1.00 55.13 H new ATOM 0 HG12 VAL A 54 -5.534 9.713 -1.199 1.00 55.13 H new ATOM 0 HG13 VAL A 54 -6.095 9.886 -2.879 1.00 55.13 H new ATOM 0 HG21 VAL A 54 -6.189 6.822 -3.480 1.00 32.51 H new ATOM 0 HG22 VAL A 54 -5.441 7.978 -4.607 1.00 32.51 H new ATOM 0 HG23 VAL A 54 -4.502 6.594 -3.999 1.00 32.51 H new ATOM 868 N PHE A 55 -2.149 8.984 -0.826 1.00 2.45 N ATOM 869 CA PHE A 55 -1.494 9.580 0.359 1.00 42.32 C ATOM 870 C PHE A 55 -0.469 10.647 -0.057 1.00 74.14 C ATOM 871 O PHE A 55 -0.419 11.717 0.529 1.00 74.23 O ATOM 872 CB PHE A 55 -0.777 8.501 1.218 1.00 41.42 C ATOM 873 CG PHE A 55 -1.694 7.481 1.881 1.00 42.53 C ATOM 874 CD1 PHE A 55 -2.797 7.888 2.625 1.00 65.13 C ATOM 875 CD2 PHE A 55 -1.431 6.115 1.790 1.00 11.25 C ATOM 876 CE1 PHE A 55 -3.607 6.956 3.248 1.00 4.21 C ATOM 877 CE2 PHE A 55 -2.241 5.192 2.407 1.00 53.24 C ATOM 878 CZ PHE A 55 -3.326 5.611 3.134 1.00 54.34 C ATOM 0 H PHE A 55 -1.985 7.982 -0.923 1.00 2.45 H new ATOM 0 HA PHE A 55 -2.281 10.042 0.955 1.00 42.32 H new ATOM 0 HB2 PHE A 55 -0.067 7.969 0.585 1.00 41.42 H new ATOM 0 HB3 PHE A 55 -0.199 9.003 1.994 1.00 41.42 H new ATOM 0 HD1 PHE A 55 -3.022 8.940 2.717 1.00 65.13 H new ATOM 0 HD2 PHE A 55 -0.576 5.776 1.225 1.00 11.25 H new ATOM 0 HE1 PHE A 55 -4.460 7.282 3.824 1.00 4.21 H new ATOM 0 HE2 PHE A 55 -2.023 4.138 2.320 1.00 53.24 H new ATOM 0 HZ PHE A 55 -3.962 4.885 3.619 1.00 54.34 H new ATOM 888 N TYR A 56 0.321 10.330 -1.094 1.00 42.51 N ATOM 889 CA TYR A 56 1.376 11.215 -1.625 1.00 32.00 C ATOM 890 C TYR A 56 0.776 12.518 -2.200 1.00 71.32 C ATOM 891 O TYR A 56 1.288 13.615 -1.947 1.00 74.43 O ATOM 892 CB TYR A 56 2.184 10.451 -2.702 1.00 44.54 C ATOM 893 CG TYR A 56 3.265 11.283 -3.393 1.00 53.44 C ATOM 894 CD1 TYR A 56 4.386 11.715 -2.690 1.00 31.14 C ATOM 895 CD2 TYR A 56 3.164 11.636 -4.740 1.00 44.14 C ATOM 896 CE1 TYR A 56 5.364 12.472 -3.293 1.00 3.41 C ATOM 897 CE2 TYR A 56 4.139 12.392 -5.350 1.00 12.02 C ATOM 898 CZ TYR A 56 5.242 12.806 -4.625 1.00 14.01 C ATOM 899 OH TYR A 56 6.225 13.563 -5.236 1.00 21.13 O ATOM 0 H TYR A 56 0.247 9.444 -1.594 1.00 42.51 H new ATOM 0 HA TYR A 56 2.043 11.502 -0.812 1.00 32.00 H new ATOM 0 HB2 TYR A 56 2.652 9.583 -2.239 1.00 44.54 H new ATOM 0 HB3 TYR A 56 1.494 10.076 -3.458 1.00 44.54 H new ATOM 0 HD1 TYR A 56 4.490 11.450 -1.648 1.00 31.14 H new ATOM 0 HD2 TYR A 56 2.308 11.311 -5.312 1.00 44.14 H new ATOM 0 HE1 TYR A 56 6.222 12.803 -2.726 1.00 3.41 H new ATOM 0 HE2 TYR A 56 4.043 12.661 -6.392 1.00 12.02 H new ATOM 0 HH TYR A 56 5.988 13.710 -6.176 1.00 21.13 H new ATOM 909 N LYS A 57 -0.297 12.358 -2.993 1.00 42.03 N ATOM 910 CA LYS A 57 -1.105 13.482 -3.526 1.00 41.23 C ATOM 911 C LYS A 57 -1.630 14.396 -2.393 1.00 22.33 C ATOM 912 O LYS A 57 -1.584 15.625 -2.504 1.00 71.21 O ATOM 913 CB LYS A 57 -2.298 12.935 -4.379 1.00 71.13 C ATOM 914 CG LYS A 57 -1.992 12.681 -5.875 1.00 71.42 C ATOM 915 CD LYS A 57 -0.821 11.708 -6.112 1.00 31.31 C ATOM 916 CE LYS A 57 -0.615 11.342 -7.591 1.00 22.12 C ATOM 917 NZ LYS A 57 -0.372 12.539 -8.447 1.00 71.50 N ATOM 0 H LYS A 57 -0.635 11.442 -3.287 1.00 42.03 H new ATOM 0 HA LYS A 57 -0.456 14.084 -4.163 1.00 41.23 H new ATOM 0 HB2 LYS A 57 -2.641 12.001 -3.934 1.00 71.13 H new ATOM 0 HB3 LYS A 57 -3.124 13.643 -4.311 1.00 71.13 H new ATOM 0 HG2 LYS A 57 -2.885 12.284 -6.357 1.00 71.42 H new ATOM 0 HG3 LYS A 57 -1.766 13.632 -6.357 1.00 71.42 H new ATOM 0 HD2 LYS A 57 0.095 12.154 -5.726 1.00 31.31 H new ATOM 0 HD3 LYS A 57 -0.996 10.796 -5.542 1.00 31.31 H new ATOM 0 HE2 LYS A 57 0.230 10.659 -7.679 1.00 22.12 H new ATOM 0 HE3 LYS A 57 -1.494 10.810 -7.956 1.00 22.12 H new ATOM 0 HZ1 LYS A 57 -0.239 12.239 -9.434 1.00 71.50 H new ATOM 0 HZ2 LYS A 57 -1.188 13.180 -8.387 1.00 71.50 H new ATOM 0 HZ3 LYS A 57 0.482 13.034 -8.118 1.00 71.50 H new ATOM 931 N GLU A 58 -2.114 13.776 -1.304 1.00 42.45 N ATOM 932 CA GLU A 58 -2.643 14.505 -0.132 1.00 55.13 C ATOM 933 C GLU A 58 -1.513 14.991 0.794 1.00 64.44 C ATOM 934 O GLU A 58 -1.749 15.793 1.706 1.00 40.35 O ATOM 935 CB GLU A 58 -3.640 13.605 0.653 1.00 42.14 C ATOM 936 CG GLU A 58 -4.884 13.189 -0.156 1.00 40.32 C ATOM 937 CD GLU A 58 -5.662 14.392 -0.732 1.00 23.13 C ATOM 938 OE1 GLU A 58 -6.489 14.990 -0.005 1.00 31.21 O ATOM 939 OE2 GLU A 58 -5.435 14.760 -1.908 1.00 2.11 O ATOM 0 H GLU A 58 -2.151 12.761 -1.208 1.00 42.45 H new ATOM 0 HA GLU A 58 -3.169 15.387 -0.497 1.00 55.13 H new ATOM 0 HB2 GLU A 58 -3.119 12.707 0.984 1.00 42.14 H new ATOM 0 HB3 GLU A 58 -3.963 14.135 1.549 1.00 42.14 H new ATOM 0 HG2 GLU A 58 -4.577 12.537 -0.974 1.00 40.32 H new ATOM 0 HG3 GLU A 58 -5.548 12.607 0.483 1.00 40.32 H new ATOM 946 N HIS A 59 -0.292 14.480 0.530 1.00 73.32 N ATOM 947 CA HIS A 59 0.930 14.754 1.310 1.00 0.01 C ATOM 948 C HIS A 59 0.824 14.215 2.747 1.00 14.22 C ATOM 949 O HIS A 59 1.473 14.721 3.666 1.00 51.24 O ATOM 950 CB HIS A 59 1.323 16.260 1.264 1.00 3.34 C ATOM 951 CG HIS A 59 1.702 16.720 -0.116 1.00 75.15 C ATOM 952 ND1 HIS A 59 2.983 16.614 -0.618 1.00 61.11 N ATOM 953 CD2 HIS A 59 0.964 17.260 -1.104 1.00 12.01 C ATOM 954 CE1 HIS A 59 3.006 17.067 -1.850 1.00 31.32 C ATOM 955 NE2 HIS A 59 1.793 17.467 -2.169 1.00 53.13 N ATOM 0 H HIS A 59 -0.126 13.848 -0.253 1.00 73.32 H new ATOM 0 HA HIS A 59 1.745 14.209 0.835 1.00 0.01 H new ATOM 0 HB2 HIS A 59 0.488 16.860 1.626 1.00 3.34 H new ATOM 0 HB3 HIS A 59 2.158 16.434 1.942 1.00 3.34 H new ATOM 0 HD1 HIS A 59 3.786 16.242 -0.111 1.00 61.11 H new ATOM 0 HD2 HIS A 59 -0.091 17.488 -1.062 1.00 12.01 H new ATOM 0 HE1 HIS A 59 3.873 17.105 -2.493 1.00 31.32 H new ATOM 964 N ASP A 60 0.027 13.149 2.894 1.00 20.32 N ATOM 965 CA ASP A 60 -0.106 12.397 4.135 1.00 71.51 C ATOM 966 C ASP A 60 1.079 11.427 4.237 1.00 72.22 C ATOM 967 O ASP A 60 0.987 10.282 3.804 1.00 54.52 O ATOM 968 CB ASP A 60 -1.480 11.645 4.161 1.00 2.22 C ATOM 969 CG ASP A 60 -1.742 10.787 5.423 1.00 31.02 C ATOM 970 OD1 ASP A 60 -1.031 10.939 6.444 1.00 32.01 O ATOM 971 OD2 ASP A 60 -2.676 9.948 5.403 1.00 10.22 O ATOM 0 H ASP A 60 -0.551 12.784 2.137 1.00 20.32 H new ATOM 0 HA ASP A 60 -0.091 13.065 4.996 1.00 71.51 H new ATOM 0 HB2 ASP A 60 -2.279 12.380 4.070 1.00 2.22 H new ATOM 0 HB3 ASP A 60 -1.539 11.000 3.285 1.00 2.22 H new ATOM 976 N THR A 61 2.210 11.948 4.738 1.00 34.11 N ATOM 977 CA THR A 61 3.424 11.169 5.020 1.00 1.51 C ATOM 978 C THR A 61 3.181 9.990 5.971 1.00 44.42 C ATOM 979 O THR A 61 3.859 8.976 5.867 1.00 61.44 O ATOM 980 CB THR A 61 4.532 12.077 5.645 1.00 62.52 C ATOM 981 OG1 THR A 61 3.966 12.931 6.661 1.00 12.11 O ATOM 982 CG2 THR A 61 5.246 12.922 4.593 1.00 1.43 C ATOM 0 H THR A 61 2.307 12.938 4.962 1.00 34.11 H new ATOM 0 HA THR A 61 3.744 10.771 4.057 1.00 1.51 H new ATOM 0 HB THR A 61 5.273 11.417 6.095 1.00 62.52 H new ATOM 0 HG1 THR A 61 4.671 13.493 7.046 1.00 12.11 H new ATOM 0 HG21 THR A 61 6.007 13.536 5.075 1.00 1.43 H new ATOM 0 HG22 THR A 61 5.718 12.268 3.860 1.00 1.43 H new ATOM 0 HG23 THR A 61 4.523 13.566 4.092 1.00 1.43 H new ATOM 990 N ASP A 62 2.240 10.158 6.919 1.00 41.43 N ATOM 991 CA ASP A 62 1.935 9.142 7.937 1.00 44.10 C ATOM 992 C ASP A 62 1.307 7.889 7.283 1.00 74.44 C ATOM 993 O ASP A 62 1.771 6.773 7.511 1.00 2.24 O ATOM 994 CB ASP A 62 0.998 9.739 9.017 1.00 10.52 C ATOM 995 CG ASP A 62 0.561 8.714 10.078 1.00 52.00 C ATOM 996 OD1 ASP A 62 1.357 8.390 10.975 1.00 15.00 O ATOM 997 OD2 ASP A 62 -0.569 8.211 10.007 1.00 1.15 O ATOM 0 H ASP A 62 1.672 11.001 6.998 1.00 41.43 H new ATOM 0 HA ASP A 62 2.863 8.835 8.420 1.00 44.10 H new ATOM 0 HB2 ASP A 62 1.505 10.568 9.510 1.00 10.52 H new ATOM 0 HB3 ASP A 62 0.112 10.150 8.533 1.00 10.52 H new ATOM 1002 N GLY A 63 0.264 8.110 6.457 1.00 61.13 N ATOM 1003 CA GLY A 63 -0.389 7.038 5.701 1.00 62.01 C ATOM 1004 C GLY A 63 0.523 6.450 4.629 1.00 72.31 C ATOM 1005 O GLY A 63 0.547 5.233 4.418 1.00 31.11 O ATOM 0 H GLY A 63 -0.142 9.032 6.300 1.00 61.13 H new ATOM 0 HA2 GLY A 63 -0.697 6.248 6.386 1.00 62.01 H new ATOM 0 HA3 GLY A 63 -1.294 7.425 5.233 1.00 62.01 H new ATOM 1009 N LEU A 64 1.263 7.350 3.941 1.00 32.15 N ATOM 1010 CA LEU A 64 2.269 7.000 2.911 1.00 12.34 C ATOM 1011 C LEU A 64 3.351 6.084 3.498 1.00 42.31 C ATOM 1012 O LEU A 64 3.825 5.167 2.832 1.00 41.41 O ATOM 1013 CB LEU A 64 2.927 8.298 2.359 1.00 50.40 C ATOM 1014 CG LEU A 64 4.094 8.133 1.327 1.00 0.22 C ATOM 1015 CD1 LEU A 64 3.603 7.595 -0.026 1.00 55.45 C ATOM 1016 CD2 LEU A 64 4.870 9.448 1.152 1.00 21.45 C ATOM 0 H LEU A 64 1.177 8.356 4.088 1.00 32.15 H new ATOM 0 HA LEU A 64 1.766 6.470 2.102 1.00 12.34 H new ATOM 0 HB2 LEU A 64 2.147 8.898 1.892 1.00 50.40 H new ATOM 0 HB3 LEU A 64 3.305 8.870 3.206 1.00 50.40 H new ATOM 0 HG LEU A 64 4.776 7.388 1.736 1.00 0.22 H new ATOM 0 HD11 LEU A 64 4.448 7.498 -0.707 1.00 55.45 H new ATOM 0 HD12 LEU A 64 3.139 6.619 0.117 1.00 55.45 H new ATOM 0 HD13 LEU A 64 2.873 8.286 -0.449 1.00 55.45 H new ATOM 0 HD21 LEU A 64 5.674 9.303 0.430 1.00 21.45 H new ATOM 0 HD22 LEU A 64 4.194 10.224 0.792 1.00 21.45 H new ATOM 0 HD23 LEU A 64 5.293 9.751 2.110 1.00 21.45 H new ATOM 1028 N ARG A 65 3.708 6.360 4.767 1.00 43.41 N ATOM 1029 CA ARG A 65 4.719 5.612 5.522 1.00 22.51 C ATOM 1030 C ARG A 65 4.244 4.177 5.742 1.00 32.12 C ATOM 1031 O ARG A 65 4.949 3.237 5.398 1.00 75.43 O ATOM 1032 CB ARG A 65 4.995 6.333 6.871 1.00 33.11 C ATOM 1033 CG ARG A 65 6.091 5.706 7.746 1.00 24.02 C ATOM 1034 CD ARG A 65 6.352 6.518 9.030 1.00 1.03 C ATOM 1035 NE ARG A 65 7.314 5.849 9.918 1.00 11.31 N ATOM 1036 CZ ARG A 65 7.582 6.203 11.188 1.00 24.13 C ATOM 1037 NH1 ARG A 65 6.986 7.251 11.753 1.00 54.42 N ATOM 1038 NH2 ARG A 65 8.466 5.503 11.889 1.00 65.04 N ATOM 0 H ARG A 65 3.292 7.123 5.301 1.00 43.41 H new ATOM 0 HA ARG A 65 5.651 5.573 4.959 1.00 22.51 H new ATOM 0 HB2 ARG A 65 5.270 7.367 6.661 1.00 33.11 H new ATOM 0 HB3 ARG A 65 4.068 6.360 7.444 1.00 33.11 H new ATOM 0 HG2 ARG A 65 5.801 4.690 8.014 1.00 24.02 H new ATOM 0 HG3 ARG A 65 7.014 5.633 7.171 1.00 24.02 H new ATOM 0 HD2 ARG A 65 6.730 7.505 8.764 1.00 1.03 H new ATOM 0 HD3 ARG A 65 5.412 6.669 9.561 1.00 1.03 H new ATOM 0 HE ARG A 65 7.821 5.049 9.539 1.00 11.31 H new ATOM 0 HH11 ARG A 65 6.312 7.802 11.222 1.00 54.42 H new ATOM 0 HH12 ARG A 65 7.203 7.503 12.717 1.00 54.42 H new ATOM 0 HH21 ARG A 65 8.936 4.704 11.464 1.00 65.04 H new ATOM 0 HH22 ARG A 65 8.675 5.765 12.852 1.00 65.04 H new ATOM 1052 N ARG A 66 3.006 4.050 6.251 1.00 72.44 N ATOM 1053 CA ARG A 66 2.351 2.754 6.507 1.00 60.34 C ATOM 1054 C ARG A 66 2.275 1.922 5.215 1.00 64.43 C ATOM 1055 O ARG A 66 2.620 0.741 5.202 1.00 52.33 O ATOM 1056 CB ARG A 66 0.927 2.991 7.072 1.00 61.03 C ATOM 1057 CG ARG A 66 0.887 3.860 8.337 1.00 71.31 C ATOM 1058 CD ARG A 66 -0.541 4.242 8.760 1.00 53.21 C ATOM 1059 NE ARG A 66 -0.534 5.244 9.826 1.00 61.21 N ATOM 1060 CZ ARG A 66 -0.654 4.991 11.134 1.00 74.42 C ATOM 1061 NH1 ARG A 66 -0.798 3.743 11.596 1.00 0.31 N ATOM 1062 NH2 ARG A 66 -0.605 6.000 11.983 1.00 74.31 N ATOM 0 H ARG A 66 2.426 4.852 6.499 1.00 72.44 H new ATOM 0 HA ARG A 66 2.941 2.201 7.238 1.00 60.34 H new ATOM 0 HB2 ARG A 66 0.317 3.463 6.302 1.00 61.03 H new ATOM 0 HB3 ARG A 66 0.471 2.026 7.293 1.00 61.03 H new ATOM 0 HG2 ARG A 66 1.371 3.325 9.154 1.00 71.31 H new ATOM 0 HG3 ARG A 66 1.464 4.769 8.165 1.00 71.31 H new ATOM 0 HD2 ARG A 66 -1.086 4.629 7.899 1.00 53.21 H new ATOM 0 HD3 ARG A 66 -1.072 3.352 9.099 1.00 53.21 H new ATOM 0 HE ARG A 66 -0.429 6.220 9.548 1.00 61.21 H new ATOM 0 HH11 ARG A 66 -0.818 2.958 10.946 1.00 0.31 H new ATOM 0 HH12 ARG A 66 -0.887 3.577 12.598 1.00 0.31 H new ATOM 0 HH21 ARG A 66 -0.478 6.951 11.638 1.00 74.31 H new ATOM 0 HH22 ARG A 66 -0.694 5.829 12.985 1.00 74.31 H new ATOM 1076 N ALA A 67 1.855 2.590 4.126 1.00 70.14 N ATOM 1077 CA ALA A 67 1.653 1.971 2.809 1.00 25.51 C ATOM 1078 C ALA A 67 2.986 1.522 2.186 1.00 40.24 C ATOM 1079 O ALA A 67 3.051 0.450 1.588 1.00 4.23 O ATOM 1080 CB ALA A 67 0.914 2.950 1.883 1.00 22.41 C ATOM 0 H ALA A 67 1.644 3.588 4.139 1.00 70.14 H new ATOM 0 HA ALA A 67 1.043 1.077 2.939 1.00 25.51 H new ATOM 0 HB1 ALA A 67 0.766 2.487 0.907 1.00 22.41 H new ATOM 0 HB2 ALA A 67 -0.054 3.200 2.316 1.00 22.41 H new ATOM 0 HB3 ALA A 67 1.505 3.858 1.768 1.00 22.41 H new ATOM 1086 N ALA A 68 4.042 2.341 2.374 1.00 54.11 N ATOM 1087 CA ALA A 68 5.384 2.082 1.820 1.00 73.45 C ATOM 1088 C ALA A 68 6.066 0.907 2.533 1.00 42.10 C ATOM 1089 O ALA A 68 6.691 0.059 1.889 1.00 60.41 O ATOM 1090 CB ALA A 68 6.264 3.342 1.932 1.00 5.11 C ATOM 0 H ALA A 68 3.986 3.203 2.916 1.00 54.11 H new ATOM 0 HA ALA A 68 5.262 1.820 0.769 1.00 73.45 H new ATOM 0 HB1 ALA A 68 7.251 3.134 1.519 1.00 5.11 H new ATOM 0 HB2 ALA A 68 5.803 4.159 1.377 1.00 5.11 H new ATOM 0 HB3 ALA A 68 6.362 3.626 2.980 1.00 5.11 H new ATOM 1096 N LYS A 69 5.945 0.887 3.874 1.00 24.25 N ATOM 1097 CA LYS A 69 6.535 -0.160 4.715 1.00 41.05 C ATOM 1098 C LYS A 69 5.873 -1.515 4.426 1.00 24.33 C ATOM 1099 O LYS A 69 6.558 -2.494 4.113 1.00 60.15 O ATOM 1100 CB LYS A 69 6.383 0.208 6.223 1.00 62.33 C ATOM 1101 CG LYS A 69 7.087 1.513 6.693 1.00 32.14 C ATOM 1102 CD LYS A 69 8.624 1.407 6.869 1.00 1.32 C ATOM 1103 CE LYS A 69 9.418 1.437 5.560 1.00 41.45 C ATOM 1104 NZ LYS A 69 10.878 1.347 5.811 1.00 14.45 N ATOM 0 H LYS A 69 5.435 1.597 4.400 1.00 24.25 H new ATOM 0 HA LYS A 69 7.597 -0.237 4.481 1.00 41.05 H new ATOM 0 HB2 LYS A 69 5.320 0.294 6.448 1.00 62.33 H new ATOM 0 HB3 LYS A 69 6.769 -0.621 6.817 1.00 62.33 H new ATOM 0 HG2 LYS A 69 6.873 2.302 5.972 1.00 32.14 H new ATOM 0 HG3 LYS A 69 6.649 1.822 7.642 1.00 32.14 H new ATOM 0 HD2 LYS A 69 8.962 2.227 7.503 1.00 1.32 H new ATOM 0 HD3 LYS A 69 8.853 0.481 7.397 1.00 1.32 H new ATOM 0 HE2 LYS A 69 9.105 0.609 4.924 1.00 41.45 H new ATOM 0 HE3 LYS A 69 9.196 2.357 5.019 1.00 41.45 H new ATOM 0 HZ1 LYS A 69 11.388 1.370 4.905 1.00 14.45 H new ATOM 0 HZ2 LYS A 69 11.179 2.151 6.398 1.00 14.45 H new ATOM 0 HZ3 LYS A 69 11.091 0.457 6.306 1.00 14.45 H new ATOM 1118 N SER A 70 4.526 -1.522 4.474 1.00 31.51 N ATOM 1119 CA SER A 70 3.702 -2.723 4.261 1.00 43.11 C ATOM 1120 C SER A 70 3.850 -3.265 2.828 1.00 1.31 C ATOM 1121 O SER A 70 3.712 -4.473 2.604 1.00 72.45 O ATOM 1122 CB SER A 70 2.230 -2.395 4.572 1.00 2.51 C ATOM 1123 OG SER A 70 2.087 -1.874 5.886 1.00 41.31 O ATOM 0 H SER A 70 3.976 -0.684 4.664 1.00 31.51 H new ATOM 0 HA SER A 70 4.049 -3.505 4.936 1.00 43.11 H new ATOM 0 HB2 SER A 70 1.855 -1.671 3.848 1.00 2.51 H new ATOM 0 HB3 SER A 70 1.624 -3.295 4.467 1.00 2.51 H new ATOM 0 HG SER A 70 2.276 -0.912 5.879 1.00 41.31 H new ATOM 1129 N LEU A 71 4.122 -2.352 1.866 1.00 51.11 N ATOM 1130 CA LEU A 71 4.366 -2.707 0.454 1.00 54.43 C ATOM 1131 C LEU A 71 5.586 -3.642 0.366 1.00 62.12 C ATOM 1132 O LEU A 71 5.526 -4.696 -0.267 1.00 64.24 O ATOM 1133 CB LEU A 71 4.593 -1.422 -0.404 1.00 45.44 C ATOM 1134 CG LEU A 71 3.966 -1.411 -1.839 1.00 32.23 C ATOM 1135 CD1 LEU A 71 4.097 -0.024 -2.481 1.00 3.21 C ATOM 1136 CD2 LEU A 71 4.552 -2.505 -2.756 1.00 15.32 C ATOM 0 H LEU A 71 4.178 -1.350 2.050 1.00 51.11 H new ATOM 0 HA LEU A 71 3.492 -3.223 0.058 1.00 54.43 H new ATOM 0 HB2 LEU A 71 4.194 -0.571 0.147 1.00 45.44 H new ATOM 0 HB3 LEU A 71 5.667 -1.264 -0.501 1.00 45.44 H new ATOM 0 HG LEU A 71 2.907 -1.641 -1.721 1.00 32.23 H new ATOM 0 HD11 LEU A 71 3.655 -0.041 -3.477 1.00 3.21 H new ATOM 0 HD12 LEU A 71 3.579 0.712 -1.866 1.00 3.21 H new ATOM 0 HD13 LEU A 71 5.151 0.244 -2.557 1.00 3.21 H new ATOM 0 HD21 LEU A 71 4.080 -2.449 -3.737 1.00 15.32 H new ATOM 0 HD22 LEU A 71 5.626 -2.354 -2.861 1.00 15.32 H new ATOM 0 HD23 LEU A 71 4.364 -3.486 -2.318 1.00 15.32 H new ATOM 1148 N LYS A 72 6.677 -3.237 1.050 1.00 4.13 N ATOM 1149 CA LYS A 72 7.939 -3.992 1.078 1.00 25.31 C ATOM 1150 C LYS A 72 7.803 -5.294 1.888 1.00 62.51 C ATOM 1151 O LYS A 72 8.440 -6.309 1.567 1.00 34.23 O ATOM 1152 CB LYS A 72 9.060 -3.120 1.665 1.00 50.11 C ATOM 1153 CG LYS A 72 9.335 -1.831 0.870 1.00 21.53 C ATOM 1154 CD LYS A 72 10.470 -0.993 1.495 1.00 63.01 C ATOM 1155 CE LYS A 72 11.809 -1.749 1.567 1.00 60.33 C ATOM 1156 NZ LYS A 72 12.898 -0.889 2.106 1.00 73.52 N ATOM 0 H LYS A 72 6.703 -2.377 1.597 1.00 4.13 H new ATOM 0 HA LYS A 72 8.189 -4.263 0.052 1.00 25.31 H new ATOM 0 HB2 LYS A 72 8.800 -2.854 2.689 1.00 50.11 H new ATOM 0 HB3 LYS A 72 9.977 -3.708 1.711 1.00 50.11 H new ATOM 0 HG2 LYS A 72 9.598 -2.088 -0.156 1.00 21.53 H new ATOM 0 HG3 LYS A 72 8.425 -1.232 0.826 1.00 21.53 H new ATOM 0 HD2 LYS A 72 10.605 -0.082 0.912 1.00 63.01 H new ATOM 0 HD3 LYS A 72 10.177 -0.688 2.500 1.00 63.01 H new ATOM 0 HE2 LYS A 72 11.696 -2.631 2.198 1.00 60.33 H new ATOM 0 HE3 LYS A 72 12.082 -2.101 0.572 1.00 60.33 H new ATOM 0 HZ1 LYS A 72 13.768 -1.451 2.204 1.00 73.52 H new ATOM 0 HZ2 LYS A 72 13.069 -0.096 1.455 1.00 73.52 H new ATOM 0 HZ3 LYS A 72 12.619 -0.518 3.037 1.00 73.52 H new ATOM 1170 N GLU A 73 6.978 -5.242 2.949 1.00 25.03 N ATOM 1171 CA GLU A 73 6.664 -6.412 3.795 1.00 54.15 C ATOM 1172 C GLU A 73 5.786 -7.417 3.021 1.00 33.32 C ATOM 1173 O GLU A 73 5.734 -8.607 3.360 1.00 73.04 O ATOM 1174 CB GLU A 73 5.988 -5.943 5.112 1.00 30.14 C ATOM 1175 CG GLU A 73 6.905 -5.069 5.997 1.00 72.03 C ATOM 1176 CD GLU A 73 6.204 -4.526 7.258 1.00 11.32 C ATOM 1177 OE1 GLU A 73 6.162 -5.243 8.281 1.00 15.11 O ATOM 1178 OE2 GLU A 73 5.697 -3.382 7.231 1.00 34.23 O ATOM 0 H GLU A 73 6.508 -4.387 3.246 1.00 25.03 H new ATOM 0 HA GLU A 73 7.587 -6.928 4.059 1.00 54.15 H new ATOM 0 HB2 GLU A 73 5.087 -5.380 4.868 1.00 30.14 H new ATOM 0 HB3 GLU A 73 5.673 -6.818 5.681 1.00 30.14 H new ATOM 0 HG2 GLU A 73 7.773 -5.655 6.297 1.00 72.03 H new ATOM 0 HG3 GLU A 73 7.275 -4.231 5.407 1.00 72.03 H new ATOM 1185 N ALA A 74 5.108 -6.923 1.969 1.00 20.22 N ATOM 1186 CA ALA A 74 4.378 -7.762 1.018 1.00 74.24 C ATOM 1187 C ALA A 74 5.348 -8.366 -0.026 1.00 64.44 C ATOM 1188 O ALA A 74 5.179 -9.515 -0.419 1.00 21.35 O ATOM 1189 CB ALA A 74 3.249 -6.963 0.342 1.00 22.20 C ATOM 0 H ALA A 74 5.055 -5.926 1.759 1.00 20.22 H new ATOM 0 HA ALA A 74 3.917 -8.586 1.562 1.00 74.24 H new ATOM 0 HB1 ALA A 74 2.719 -7.606 -0.361 1.00 22.20 H new ATOM 0 HB2 ALA A 74 2.553 -6.603 1.100 1.00 22.20 H new ATOM 0 HB3 ALA A 74 3.674 -6.113 -0.192 1.00 22.20 H new ATOM 1195 N ILE A 75 6.395 -7.598 -0.431 1.00 74.32 N ATOM 1196 CA ILE A 75 7.376 -8.054 -1.453 1.00 61.52 C ATOM 1197 C ILE A 75 8.110 -9.327 -0.993 1.00 44.03 C ATOM 1198 O ILE A 75 8.239 -10.300 -1.754 1.00 12.03 O ATOM 1199 CB ILE A 75 8.450 -6.962 -1.827 1.00 30.01 C ATOM 1200 CG1 ILE A 75 7.778 -5.623 -2.256 1.00 52.42 C ATOM 1201 CG2 ILE A 75 9.395 -7.485 -2.939 1.00 11.43 C ATOM 1202 CD1 ILE A 75 6.778 -5.726 -3.389 1.00 15.01 C ATOM 0 H ILE A 75 6.581 -6.664 -0.067 1.00 74.32 H new ATOM 0 HA ILE A 75 6.782 -8.259 -2.344 1.00 61.52 H new ATOM 0 HB ILE A 75 9.044 -6.760 -0.935 1.00 30.01 H new ATOM 0 HG12 ILE A 75 7.275 -5.196 -1.389 1.00 52.42 H new ATOM 0 HG13 ILE A 75 8.560 -4.922 -2.548 1.00 52.42 H new ATOM 0 HG21 ILE A 75 10.129 -6.717 -3.183 1.00 11.43 H new ATOM 0 HG22 ILE A 75 9.909 -8.380 -2.588 1.00 11.43 H new ATOM 0 HG23 ILE A 75 8.812 -7.726 -3.828 1.00 11.43 H new ATOM 0 HD11 ILE A 75 6.372 -4.738 -3.606 1.00 15.01 H new ATOM 0 HD12 ILE A 75 7.274 -6.118 -4.277 1.00 15.01 H new ATOM 0 HD13 ILE A 75 5.968 -6.396 -3.100 1.00 15.01 H new ATOM 1214 N THR A 76 8.560 -9.311 0.272 1.00 43.41 N ATOM 1215 CA THR A 76 9.303 -10.434 0.876 1.00 34.02 C ATOM 1216 C THR A 76 8.406 -11.694 1.033 1.00 52.32 C ATOM 1217 O THR A 76 8.912 -12.798 1.251 1.00 21.24 O ATOM 1218 CB THR A 76 9.919 -10.015 2.265 1.00 62.33 C ATOM 1219 OG1 THR A 76 10.782 -11.047 2.782 1.00 65.41 O ATOM 1220 CG2 THR A 76 8.843 -9.682 3.313 1.00 51.02 C ATOM 0 H THR A 76 8.421 -8.523 0.905 1.00 43.41 H new ATOM 0 HA THR A 76 10.118 -10.690 0.199 1.00 34.02 H new ATOM 0 HB THR A 76 10.499 -9.111 2.078 1.00 62.33 H new ATOM 0 HG1 THR A 76 10.571 -11.899 2.345 1.00 65.41 H new ATOM 0 HG21 THR A 76 9.323 -9.400 4.250 1.00 51.02 H new ATOM 0 HG22 THR A 76 8.231 -8.854 2.955 1.00 51.02 H new ATOM 0 HG23 THR A 76 8.212 -10.556 3.477 1.00 51.02 H new ATOM 1228 N ALA A 77 7.080 -11.500 0.923 1.00 3.22 N ATOM 1229 CA ALA A 77 6.076 -12.570 1.073 1.00 12.33 C ATOM 1230 C ALA A 77 5.448 -12.992 -0.275 1.00 55.54 C ATOM 1231 O ALA A 77 4.607 -13.899 -0.293 1.00 10.23 O ATOM 1232 CB ALA A 77 4.998 -12.096 2.058 1.00 34.32 C ATOM 0 H ALA A 77 6.670 -10.587 0.725 1.00 3.22 H new ATOM 0 HA ALA A 77 6.575 -13.458 1.461 1.00 12.33 H new ATOM 0 HB1 ALA A 77 4.248 -12.877 2.180 1.00 34.32 H new ATOM 0 HB2 ALA A 77 5.457 -11.880 3.023 1.00 34.32 H new ATOM 0 HB3 ALA A 77 4.523 -11.194 1.672 1.00 34.32 H new ATOM 1238 N ILE A 78 5.820 -12.311 -1.392 1.00 10.43 N ATOM 1239 CA ILE A 78 5.335 -12.672 -2.754 1.00 72.53 C ATOM 1240 C ILE A 78 5.868 -14.072 -3.139 1.00 60.00 C ATOM 1241 O ILE A 78 7.060 -14.320 -2.977 1.00 71.30 O ATOM 1242 CB ILE A 78 5.780 -11.622 -3.870 1.00 73.44 C ATOM 1243 CG1 ILE A 78 5.171 -10.214 -3.605 1.00 24.45 C ATOM 1244 CG2 ILE A 78 5.410 -12.101 -5.307 1.00 22.34 C ATOM 1245 CD1 ILE A 78 5.634 -9.124 -4.569 1.00 62.31 C ATOM 0 H ILE A 78 6.453 -11.511 -1.377 1.00 10.43 H new ATOM 0 HA ILE A 78 4.246 -12.666 -2.715 1.00 72.53 H new ATOM 0 HB ILE A 78 6.866 -11.549 -3.808 1.00 73.44 H new ATOM 0 HG12 ILE A 78 4.085 -10.288 -3.657 1.00 24.45 H new ATOM 0 HG13 ILE A 78 5.422 -9.911 -2.588 1.00 24.45 H new ATOM 0 HG21 ILE A 78 5.732 -11.355 -6.033 1.00 22.34 H new ATOM 0 HG22 ILE A 78 5.908 -13.048 -5.514 1.00 22.34 H new ATOM 0 HG23 ILE A 78 4.331 -12.235 -5.379 1.00 22.34 H new ATOM 0 HD11 ILE A 78 5.158 -8.180 -4.306 1.00 62.31 H new ATOM 0 HD12 ILE A 78 6.717 -9.015 -4.502 1.00 62.31 H new ATOM 0 HD13 ILE A 78 5.359 -9.398 -5.587 1.00 62.31 H new ATOM 1369 N GLU A 86 8.253 -6.828 -10.571 1.00 4.25 N ATOM 1370 CA GLU A 86 6.967 -6.196 -10.945 1.00 55.12 C ATOM 1371 C GLU A 86 6.427 -5.292 -9.811 1.00 41.12 C ATOM 1372 O GLU A 86 6.294 -4.076 -9.977 1.00 15.45 O ATOM 1373 CB GLU A 86 5.953 -7.336 -11.297 1.00 32.22 C ATOM 1374 CG GLU A 86 4.458 -6.942 -11.397 1.00 25.12 C ATOM 1375 CD GLU A 86 4.134 -5.956 -12.530 1.00 34.12 C ATOM 1376 OE1 GLU A 86 4.394 -6.292 -13.710 1.00 22.13 O ATOM 1377 OE2 GLU A 86 3.598 -4.855 -12.259 1.00 34.01 O ATOM 0 HA GLU A 86 7.113 -5.548 -11.809 1.00 55.12 H new ATOM 0 HB2 GLU A 86 6.252 -7.773 -12.249 1.00 32.22 H new ATOM 0 HB3 GLU A 86 6.048 -8.118 -10.543 1.00 32.22 H new ATOM 0 HG2 GLU A 86 3.866 -7.846 -11.539 1.00 25.12 H new ATOM 0 HG3 GLU A 86 4.147 -6.502 -10.449 1.00 25.12 H new ATOM 1384 N ALA A 87 6.177 -5.906 -8.642 1.00 25.23 N ATOM 1385 CA ALA A 87 5.672 -5.203 -7.458 1.00 12.22 C ATOM 1386 C ALA A 87 6.784 -4.401 -6.750 1.00 73.02 C ATOM 1387 O ALA A 87 6.502 -3.414 -6.063 1.00 5.01 O ATOM 1388 CB ALA A 87 5.030 -6.211 -6.507 1.00 53.22 C ATOM 0 H ALA A 87 6.321 -6.905 -8.495 1.00 25.23 H new ATOM 0 HA ALA A 87 4.921 -4.481 -7.778 1.00 12.22 H new ATOM 0 HB1 ALA A 87 4.654 -5.691 -5.626 1.00 53.22 H new ATOM 0 HB2 ALA A 87 4.205 -6.713 -7.012 1.00 53.22 H new ATOM 0 HB3 ALA A 87 5.773 -6.949 -6.203 1.00 53.22 H new ATOM 1394 N LYS A 88 8.043 -4.855 -6.924 1.00 4.53 N ATOM 1395 CA LYS A 88 9.233 -4.280 -6.266 1.00 45.42 C ATOM 1396 C LYS A 88 9.494 -2.838 -6.751 1.00 22.15 C ATOM 1397 O LYS A 88 9.933 -1.988 -5.967 1.00 23.55 O ATOM 1398 CB LYS A 88 10.474 -5.173 -6.549 1.00 53.12 C ATOM 1399 CG LYS A 88 11.785 -4.811 -5.820 1.00 53.41 C ATOM 1400 CD LYS A 88 11.690 -4.966 -4.288 1.00 11.34 C ATOM 1401 CE LYS A 88 13.062 -4.873 -3.601 1.00 62.11 C ATOM 1402 NZ LYS A 88 13.755 -3.594 -3.911 1.00 21.34 N ATOM 0 H LYS A 88 8.263 -5.642 -7.534 1.00 4.53 H new ATOM 0 HA LYS A 88 9.049 -4.246 -5.192 1.00 45.42 H new ATOM 0 HB2 LYS A 88 10.217 -6.200 -6.291 1.00 53.12 H new ATOM 0 HB3 LYS A 88 10.667 -5.153 -7.622 1.00 53.12 H new ATOM 0 HG2 LYS A 88 12.588 -5.446 -6.194 1.00 53.41 H new ATOM 0 HG3 LYS A 88 12.054 -3.782 -6.059 1.00 53.41 H new ATOM 0 HD2 LYS A 88 11.034 -4.193 -3.888 1.00 11.34 H new ATOM 0 HD3 LYS A 88 11.233 -5.927 -4.051 1.00 11.34 H new ATOM 0 HE2 LYS A 88 12.934 -4.964 -2.522 1.00 62.11 H new ATOM 0 HE3 LYS A 88 13.684 -5.709 -3.920 1.00 62.11 H new ATOM 0 HZ1 LYS A 88 14.645 -3.542 -3.375 1.00 21.34 H new ATOM 0 HZ2 LYS A 88 13.961 -3.549 -4.929 1.00 21.34 H new ATOM 0 HZ3 LYS A 88 13.144 -2.795 -3.646 1.00 21.34 H new ATOM 1416 N GLU A 89 9.230 -2.573 -8.049 1.00 3.44 N ATOM 1417 CA GLU A 89 9.367 -1.222 -8.637 1.00 43.23 C ATOM 1418 C GLU A 89 8.369 -0.249 -7.982 1.00 30.13 C ATOM 1419 O GLU A 89 8.689 0.918 -7.741 1.00 25.10 O ATOM 1420 CB GLU A 89 9.143 -1.243 -10.175 1.00 11.20 C ATOM 1421 CG GLU A 89 10.071 -2.187 -10.969 1.00 12.32 C ATOM 1422 CD GLU A 89 11.569 -2.025 -10.638 1.00 65.14 C ATOM 1423 OE1 GLU A 89 12.235 -1.146 -11.236 1.00 72.44 O ATOM 1424 OE2 GLU A 89 12.091 -2.782 -9.782 1.00 45.13 O ATOM 0 H GLU A 89 8.919 -3.282 -8.713 1.00 3.44 H new ATOM 0 HA GLU A 89 10.385 -0.883 -8.445 1.00 43.23 H new ATOM 0 HB2 GLU A 89 8.110 -1.529 -10.370 1.00 11.20 H new ATOM 0 HB3 GLU A 89 9.271 -0.230 -10.557 1.00 11.20 H new ATOM 0 HG2 GLU A 89 9.776 -3.218 -10.773 1.00 12.32 H new ATOM 0 HG3 GLU A 89 9.925 -2.011 -12.035 1.00 12.32 H new ATOM 1431 N MET A 90 7.161 -0.770 -7.693 1.00 30.25 N ATOM 1432 CA MET A 90 6.094 -0.021 -7.009 1.00 11.13 C ATOM 1433 C MET A 90 6.484 0.258 -5.545 1.00 24.04 C ATOM 1434 O MET A 90 6.205 1.341 -5.014 1.00 10.21 O ATOM 1435 CB MET A 90 4.773 -0.818 -7.059 1.00 24.35 C ATOM 1436 CG MET A 90 4.285 -1.174 -8.470 1.00 73.31 C ATOM 1437 SD MET A 90 2.569 -1.745 -8.497 1.00 10.44 S ATOM 1438 CE MET A 90 2.579 -3.013 -7.232 1.00 1.50 C ATOM 0 H MET A 90 6.899 -1.727 -7.929 1.00 30.25 H new ATOM 0 HA MET A 90 5.956 0.932 -7.521 1.00 11.13 H new ATOM 0 HB2 MET A 90 4.900 -1.740 -6.491 1.00 24.35 H new ATOM 0 HB3 MET A 90 3.997 -0.239 -6.558 1.00 24.35 H new ATOM 0 HG2 MET A 90 4.382 -0.300 -9.114 1.00 73.31 H new ATOM 0 HG3 MET A 90 4.928 -1.950 -8.886 1.00 73.31 H new ATOM 0 HE1 MET A 90 1.634 -3.556 -7.253 1.00 1.50 H new ATOM 0 HE2 MET A 90 3.400 -3.706 -7.418 1.00 1.50 H new ATOM 0 HE3 MET A 90 2.709 -2.550 -6.254 1.00 1.50 H new ATOM 1448 N ALA A 91 7.134 -0.738 -4.911 1.00 25.12 N ATOM 1449 CA ALA A 91 7.645 -0.623 -3.535 1.00 13.23 C ATOM 1450 C ALA A 91 8.697 0.481 -3.453 1.00 72.25 C ATOM 1451 O ALA A 91 8.701 1.267 -2.506 1.00 35.00 O ATOM 1452 CB ALA A 91 8.222 -1.968 -3.050 1.00 30.14 C ATOM 0 H ALA A 91 7.318 -1.644 -5.341 1.00 25.12 H new ATOM 0 HA ALA A 91 6.815 -0.359 -2.879 1.00 13.23 H new ATOM 0 HB1 ALA A 91 8.593 -1.858 -2.031 1.00 30.14 H new ATOM 0 HB2 ALA A 91 7.441 -2.728 -3.072 1.00 30.14 H new ATOM 0 HB3 ALA A 91 9.040 -2.270 -3.704 1.00 30.14 H new ATOM 1458 N LYS A 92 9.556 0.549 -4.492 1.00 34.14 N ATOM 1459 CA LYS A 92 10.636 1.530 -4.564 1.00 21.53 C ATOM 1460 C LYS A 92 10.077 2.931 -4.837 1.00 11.54 C ATOM 1461 O LYS A 92 10.616 3.909 -4.336 1.00 71.24 O ATOM 1462 CB LYS A 92 11.683 1.146 -5.637 1.00 12.12 C ATOM 1463 CG LYS A 92 13.011 1.923 -5.500 1.00 43.42 C ATOM 1464 CD LYS A 92 14.043 1.557 -6.584 1.00 72.00 C ATOM 1465 CE LYS A 92 15.402 2.239 -6.354 1.00 24.53 C ATOM 1466 NZ LYS A 92 15.290 3.726 -6.299 1.00 13.23 N ATOM 0 H LYS A 92 9.513 -0.076 -5.297 1.00 34.14 H new ATOM 0 HA LYS A 92 11.139 1.537 -3.597 1.00 21.53 H new ATOM 0 HB2 LYS A 92 11.887 0.077 -5.570 1.00 12.12 H new ATOM 0 HB3 LYS A 92 11.263 1.329 -6.626 1.00 12.12 H new ATOM 0 HG2 LYS A 92 12.806 2.992 -5.549 1.00 43.42 H new ATOM 0 HG3 LYS A 92 13.440 1.726 -4.518 1.00 43.42 H new ATOM 0 HD2 LYS A 92 14.180 0.476 -6.601 1.00 72.00 H new ATOM 0 HD3 LYS A 92 13.656 1.844 -7.562 1.00 72.00 H new ATOM 0 HE2 LYS A 92 15.835 1.875 -5.422 1.00 24.53 H new ATOM 0 HE3 LYS A 92 16.086 1.958 -7.154 1.00 24.53 H new ATOM 0 HZ1 LYS A 92 16.239 4.143 -6.211 1.00 13.23 H new ATOM 0 HZ2 LYS A 92 14.839 4.073 -7.170 1.00 13.23 H new ATOM 0 HZ3 LYS A 92 14.714 4.001 -5.478 1.00 13.23 H new ATOM 1480 N LYS A 93 8.975 3.006 -5.613 1.00 22.25 N ATOM 1481 CA LYS A 93 8.252 4.272 -5.857 1.00 0.13 C ATOM 1482 C LYS A 93 7.759 4.870 -4.532 1.00 5.21 C ATOM 1483 O LYS A 93 7.959 6.058 -4.264 1.00 2.42 O ATOM 1484 CB LYS A 93 7.048 4.041 -6.814 1.00 21.13 C ATOM 1485 CG LYS A 93 7.391 4.014 -8.312 1.00 75.12 C ATOM 1486 CD LYS A 93 7.800 5.409 -8.828 1.00 24.11 C ATOM 1487 CE LYS A 93 8.174 5.410 -10.309 1.00 35.32 C ATOM 1488 NZ LYS A 93 8.618 6.755 -10.755 1.00 5.21 N ATOM 0 H LYS A 93 8.565 2.199 -6.084 1.00 22.25 H new ATOM 0 HA LYS A 93 8.942 4.973 -6.327 1.00 0.13 H new ATOM 0 HB2 LYS A 93 6.573 3.096 -6.551 1.00 21.13 H new ATOM 0 HB3 LYS A 93 6.313 4.827 -6.641 1.00 21.13 H new ATOM 0 HG2 LYS A 93 8.203 3.309 -8.487 1.00 75.12 H new ATOM 0 HG3 LYS A 93 6.530 3.655 -8.876 1.00 75.12 H new ATOM 0 HD2 LYS A 93 6.978 6.106 -8.666 1.00 24.11 H new ATOM 0 HD3 LYS A 93 8.646 5.773 -8.245 1.00 24.11 H new ATOM 0 HE2 LYS A 93 8.969 4.686 -10.485 1.00 35.32 H new ATOM 0 HE3 LYS A 93 7.317 5.093 -10.903 1.00 35.32 H new ATOM 0 HZ1 LYS A 93 8.865 6.722 -11.765 1.00 5.21 H new ATOM 0 HZ2 LYS A 93 7.850 7.440 -10.609 1.00 5.21 H new ATOM 0 HZ3 LYS A 93 9.451 7.046 -10.204 1.00 5.21 H new ATOM 1502 N ALA A 94 7.134 4.008 -3.710 1.00 1.02 N ATOM 1503 CA ALA A 94 6.633 4.376 -2.378 1.00 75.02 C ATOM 1504 C ALA A 94 7.783 4.817 -1.442 1.00 50.23 C ATOM 1505 O ALA A 94 7.592 5.698 -0.594 1.00 41.13 O ATOM 1506 CB ALA A 94 5.845 3.208 -1.775 1.00 11.24 C ATOM 0 H ALA A 94 6.963 3.033 -3.954 1.00 1.02 H new ATOM 0 HA ALA A 94 5.964 5.230 -2.486 1.00 75.02 H new ATOM 0 HB1 ALA A 94 5.477 3.488 -0.788 1.00 11.24 H new ATOM 0 HB2 ALA A 94 5.001 2.966 -2.421 1.00 11.24 H new ATOM 0 HB3 ALA A 94 6.495 2.338 -1.686 1.00 11.24 H new ATOM 1512 N GLU A 95 8.978 4.205 -1.625 1.00 52.43 N ATOM 1513 CA GLU A 95 10.204 4.583 -0.895 1.00 35.44 C ATOM 1514 C GLU A 95 10.687 5.978 -1.310 1.00 40.10 C ATOM 1515 O GLU A 95 11.083 6.773 -0.452 1.00 33.34 O ATOM 1516 CB GLU A 95 11.335 3.555 -1.145 1.00 11.41 C ATOM 1517 CG GLU A 95 11.072 2.165 -0.558 1.00 62.05 C ATOM 1518 CD GLU A 95 12.259 1.220 -0.772 1.00 3.12 C ATOM 1519 OE1 GLU A 95 13.198 1.234 0.052 1.00 52.24 O ATOM 1520 OE2 GLU A 95 12.272 0.475 -1.768 1.00 75.21 O ATOM 0 H GLU A 95 9.115 3.437 -2.282 1.00 52.43 H new ATOM 0 HA GLU A 95 9.958 4.595 0.167 1.00 35.44 H new ATOM 0 HB2 GLU A 95 11.490 3.458 -2.220 1.00 11.41 H new ATOM 0 HB3 GLU A 95 12.262 3.944 -0.723 1.00 11.41 H new ATOM 0 HG2 GLU A 95 10.867 2.254 0.509 1.00 62.05 H new ATOM 0 HG3 GLU A 95 10.181 1.739 -1.019 1.00 62.05 H new ATOM 1527 N GLU A 96 10.647 6.256 -2.630 1.00 40.13 N ATOM 1528 CA GLU A 96 11.100 7.541 -3.196 1.00 24.54 C ATOM 1529 C GLU A 96 10.270 8.689 -2.621 1.00 25.53 C ATOM 1530 O GLU A 96 10.818 9.697 -2.177 1.00 64.15 O ATOM 1531 CB GLU A 96 10.999 7.563 -4.751 1.00 25.24 C ATOM 1532 CG GLU A 96 11.834 6.497 -5.482 1.00 3.35 C ATOM 1533 CD GLU A 96 13.305 6.440 -5.040 1.00 44.11 C ATOM 1534 OE1 GLU A 96 14.041 7.430 -5.266 1.00 5.22 O ATOM 1535 OE2 GLU A 96 13.740 5.406 -4.470 1.00 4.34 O ATOM 0 H GLU A 96 10.301 5.599 -3.329 1.00 40.13 H new ATOM 0 HA GLU A 96 12.148 7.662 -2.923 1.00 24.54 H new ATOM 0 HB2 GLU A 96 9.953 7.437 -5.032 1.00 25.24 H new ATOM 0 HB3 GLU A 96 11.307 8.547 -5.104 1.00 25.24 H new ATOM 0 HG2 GLU A 96 11.379 5.520 -5.319 1.00 3.35 H new ATOM 0 HG3 GLU A 96 11.795 6.692 -6.554 1.00 3.35 H new ATOM 1542 N TRP A 97 8.941 8.480 -2.618 1.00 24.00 N ATOM 1543 CA TRP A 97 7.964 9.446 -2.108 1.00 40.33 C ATOM 1544 C TRP A 97 8.161 9.690 -0.605 1.00 21.44 C ATOM 1545 O TRP A 97 8.123 10.838 -0.147 1.00 52.11 O ATOM 1546 CB TRP A 97 6.530 8.929 -2.370 1.00 11.12 C ATOM 1547 CG TRP A 97 6.196 8.702 -3.824 1.00 64.12 C ATOM 1548 CD1 TRP A 97 6.772 9.290 -4.915 1.00 61.23 C ATOM 1549 CD2 TRP A 97 5.180 7.837 -4.335 1.00 11.14 C ATOM 1550 NE1 TRP A 97 6.193 8.821 -6.065 1.00 12.32 N ATOM 1551 CE2 TRP A 97 5.213 7.931 -5.735 1.00 34.14 C ATOM 1552 CE3 TRP A 97 4.256 6.979 -3.737 1.00 2.25 C ATOM 1553 CZ2 TRP A 97 4.357 7.203 -6.549 1.00 61.22 C ATOM 1554 CZ3 TRP A 97 3.404 6.263 -4.544 1.00 5.22 C ATOM 1555 CH2 TRP A 97 3.464 6.380 -5.937 1.00 5.14 C ATOM 0 H TRP A 97 8.515 7.624 -2.975 1.00 24.00 H new ATOM 0 HA TRP A 97 8.114 10.391 -2.631 1.00 40.33 H new ATOM 0 HB2 TRP A 97 6.392 7.993 -1.829 1.00 11.12 H new ATOM 0 HB3 TRP A 97 5.819 9.644 -1.956 1.00 11.12 H new ATOM 0 HD1 TRP A 97 7.568 10.019 -4.876 1.00 61.23 H new ATOM 0 HE1 TRP A 97 6.452 9.093 -7.013 1.00 12.32 H new ATOM 0 HE3 TRP A 97 4.211 6.880 -2.663 1.00 2.25 H new ATOM 0 HZ2 TRP A 97 4.398 7.287 -7.625 1.00 61.22 H new ATOM 0 HZ3 TRP A 97 2.678 5.601 -4.096 1.00 5.22 H new ATOM 0 HH2 TRP A 97 2.783 5.801 -6.543 1.00 5.14 H new ATOM 1566 N LEU A 98 8.392 8.590 0.140 1.00 74.34 N ATOM 1567 CA LEU A 98 8.534 8.623 1.600 1.00 44.41 C ATOM 1568 C LEU A 98 9.755 9.461 2.021 1.00 40.30 C ATOM 1569 O LEU A 98 9.640 10.362 2.853 1.00 11.41 O ATOM 1570 CB LEU A 98 8.643 7.178 2.164 1.00 30.13 C ATOM 1571 CG LEU A 98 8.576 7.051 3.718 1.00 25.45 C ATOM 1572 CD1 LEU A 98 7.286 7.693 4.256 1.00 3.11 C ATOM 1573 CD2 LEU A 98 8.714 5.577 4.170 1.00 10.23 C ATOM 0 H LEU A 98 8.485 7.656 -0.259 1.00 74.34 H new ATOM 0 HA LEU A 98 7.645 9.096 2.017 1.00 44.41 H new ATOM 0 HB2 LEU A 98 7.841 6.578 1.734 1.00 30.13 H new ATOM 0 HB3 LEU A 98 9.583 6.744 1.823 1.00 30.13 H new ATOM 0 HG LEU A 98 9.421 7.593 4.141 1.00 25.45 H new ATOM 0 HD11 LEU A 98 7.256 7.595 5.341 1.00 3.11 H new ATOM 0 HD12 LEU A 98 7.265 8.749 3.986 1.00 3.11 H new ATOM 0 HD13 LEU A 98 6.421 7.191 3.822 1.00 3.11 H new ATOM 0 HD21 LEU A 98 8.663 5.524 5.258 1.00 10.23 H new ATOM 0 HD22 LEU A 98 7.905 4.987 3.740 1.00 10.23 H new ATOM 0 HD23 LEU A 98 9.671 5.181 3.832 1.00 10.23 H new ATOM 1585 N GLN A 99 10.913 9.169 1.403 1.00 5.23 N ATOM 1586 CA GLN A 99 12.183 9.850 1.706 1.00 74.41 C ATOM 1587 C GLN A 99 12.155 11.313 1.212 1.00 44.24 C ATOM 1588 O GLN A 99 12.756 12.197 1.838 1.00 22.03 O ATOM 1589 CB GLN A 99 13.369 9.071 1.071 1.00 45.03 C ATOM 1590 CG GLN A 99 13.505 7.604 1.552 1.00 30.44 C ATOM 1591 CD GLN A 99 13.802 7.463 3.057 1.00 34.11 C ATOM 1592 OE1 GLN A 99 14.467 8.304 3.661 1.00 12.41 O ATOM 1593 NE2 GLN A 99 13.300 6.410 3.686 1.00 51.11 N ATOM 0 H GLN A 99 10.994 8.454 0.680 1.00 5.23 H new ATOM 0 HA GLN A 99 12.319 9.869 2.787 1.00 74.41 H new ATOM 0 HB2 GLN A 99 13.251 9.075 -0.013 1.00 45.03 H new ATOM 0 HB3 GLN A 99 14.296 9.600 1.293 1.00 45.03 H new ATOM 0 HG2 GLN A 99 12.583 7.070 1.323 1.00 30.44 H new ATOM 0 HG3 GLN A 99 14.302 7.120 0.988 1.00 30.44 H new ATOM 0 HE21 GLN A 99 12.751 5.722 3.171 1.00 51.11 H new ATOM 0 HE22 GLN A 99 13.463 6.288 4.685 1.00 51.11 H new ATOM 1602 N ALA A 100 11.434 11.558 0.097 1.00 70.41 N ATOM 1603 CA ALA A 100 11.325 12.894 -0.518 1.00 34.11 C ATOM 1604 C ALA A 100 10.539 13.862 0.379 1.00 51.13 C ATOM 1605 O ALA A 100 10.988 14.998 0.617 1.00 52.14 O ATOM 1606 CB ALA A 100 10.677 12.804 -1.916 1.00 14.34 C ATOM 0 H ALA A 100 10.913 10.835 -0.400 1.00 70.41 H new ATOM 0 HA ALA A 100 12.335 13.287 -0.630 1.00 34.11 H new ATOM 0 HB1 ALA A 100 10.607 13.802 -2.350 1.00 14.34 H new ATOM 0 HB2 ALA A 100 11.287 12.170 -2.560 1.00 14.34 H new ATOM 0 HB3 ALA A 100 9.678 12.376 -1.827 1.00 14.34 H new ATOM 1612 N GLU A 101 9.379 13.401 0.892 1.00 14.14 N ATOM 1613 CA GLU A 101 8.504 14.243 1.716 1.00 30.12 C ATOM 1614 C GLU A 101 9.074 14.409 3.138 1.00 41.53 C ATOM 1615 O GLU A 101 9.361 15.534 3.573 1.00 11.35 O ATOM 1616 CB GLU A 101 7.072 13.655 1.796 1.00 52.03 C ATOM 1617 CG GLU A 101 6.290 13.602 0.465 1.00 73.14 C ATOM 1618 CD GLU A 101 4.767 13.600 0.691 1.00 52.24 C ATOM 1619 OE1 GLU A 101 4.251 14.654 1.107 1.00 32.34 O ATOM 1620 OE2 GLU A 101 4.093 12.573 0.479 1.00 22.14 O ATOM 0 H GLU A 101 9.033 12.453 0.747 1.00 14.14 H new ATOM 0 HA GLU A 101 8.455 15.221 1.238 1.00 30.12 H new ATOM 0 HB2 GLU A 101 7.137 12.644 2.197 1.00 52.03 H new ATOM 0 HB3 GLU A 101 6.497 14.245 2.510 1.00 52.03 H new ATOM 0 HG2 GLU A 101 6.564 14.459 -0.151 1.00 73.14 H new ATOM 0 HG3 GLU A 101 6.576 12.707 -0.088 1.00 73.14 H new