USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 468 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 53 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.013) USER MOD Single : A 51 ASN : amide:sc=-0.00246 X(o=-0.0025,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.0299 K(o=-0.03,f=-0.59) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 148:sc= -0.106 (180deg=-0.251) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0896 X(o=-0.09,f=-0.38) USER MOD Single : A 101 ASN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.3) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 393 N VAL A 50 2.212 9.399 -0.865 1.00 62.22 N ATOM 394 CA VAL A 50 3.654 9.207 -0.863 1.00 44.53 C ATOM 395 C VAL A 50 3.955 7.822 -1.468 1.00 25.13 C ATOM 396 O VAL A 50 4.645 7.675 -2.489 1.00 54.12 O ATOM 397 CB VAL A 50 4.085 9.398 0.614 1.00 74.05 C ATOM 398 CG1 VAL A 50 5.485 8.887 0.938 1.00 62.04 C ATOM 399 CG2 VAL A 50 3.859 10.854 1.061 1.00 4.31 C ATOM 0 HA VAL A 50 4.220 9.910 -1.474 1.00 44.53 H new ATOM 0 HB VAL A 50 3.435 8.755 1.207 1.00 74.05 H new ATOM 0 HG11 VAL A 50 5.701 9.062 1.992 1.00 62.04 H new ATOM 0 HG12 VAL A 50 5.540 7.819 0.729 1.00 62.04 H new ATOM 0 HG13 VAL A 50 6.216 9.415 0.325 1.00 62.04 H new ATOM 0 HG21 VAL A 50 4.168 10.968 2.100 1.00 4.31 H new ATOM 0 HG22 VAL A 50 4.447 11.523 0.433 1.00 4.31 H new ATOM 0 HG23 VAL A 50 2.802 11.104 0.967 1.00 4.31 H new ATOM 409 N ASN A 51 3.389 6.800 -0.834 1.00 21.00 N ATOM 410 CA ASN A 51 3.443 5.411 -1.231 1.00 4.10 C ATOM 411 C ASN A 51 3.118 5.217 -2.707 1.00 41.44 C ATOM 412 O ASN A 51 3.739 4.372 -3.328 1.00 3.13 O ATOM 413 CB ASN A 51 2.463 4.610 -0.375 1.00 2.11 C ATOM 414 CG ASN A 51 2.429 3.168 -0.833 1.00 71.34 C ATOM 415 OD1 ASN A 51 3.332 2.410 -0.500 1.00 45.41 O ATOM 416 ND2 ASN A 51 1.404 2.780 -1.565 1.00 10.23 N ATOM 0 H ASN A 51 2.850 6.935 0.021 1.00 21.00 H new ATOM 0 HA ASN A 51 4.463 5.057 -1.078 1.00 4.10 H new ATOM 0 HB2 ASN A 51 2.759 4.660 0.673 1.00 2.11 H new ATOM 0 HB3 ASN A 51 1.466 5.046 -0.446 1.00 2.11 H new ATOM 0 HD21 ASN A 51 1.339 1.812 -1.879 1.00 10.23 H new ATOM 0 HD22 ASN A 51 0.676 3.448 -1.817 1.00 10.23 H new ATOM 423 N GLU A 52 2.227 6.017 -3.296 1.00 2.42 N ATOM 424 CA GLU A 52 1.934 5.933 -4.732 1.00 52.42 C ATOM 425 C GLU A 52 3.216 6.130 -5.572 1.00 4.51 C ATOM 426 O GLU A 52 3.456 5.382 -6.516 1.00 44.31 O ATOM 427 CB GLU A 52 0.874 6.973 -5.124 1.00 30.21 C ATOM 428 CG GLU A 52 -0.478 6.871 -4.393 1.00 51.22 C ATOM 429 CD GLU A 52 -1.361 5.651 -4.638 1.00 42.45 C ATOM 430 OE1 GLU A 52 -1.278 4.671 -3.863 1.00 62.11 O ATOM 431 OE2 GLU A 52 -2.264 5.736 -5.493 1.00 31.41 O1- ATOM 0 H GLU A 52 1.694 6.732 -2.801 1.00 2.42 H new ATOM 0 HA GLU A 52 1.542 4.937 -4.939 1.00 52.42 H new ATOM 0 HB2 GLU A 52 1.286 7.966 -4.947 1.00 30.21 H new ATOM 0 HB3 GLU A 52 0.692 6.890 -6.195 1.00 30.21 H new ATOM 0 HG2 GLU A 52 -0.278 6.923 -3.323 1.00 51.22 H new ATOM 0 HG3 GLU A 52 -1.060 7.756 -4.652 1.00 51.22 H new ATOM 438 N TYR A 53 4.074 7.094 -5.204 1.00 52.34 N ATOM 439 CA TYR A 53 5.403 7.264 -5.798 1.00 14.53 C ATOM 440 C TYR A 53 6.258 6.048 -5.481 1.00 65.33 C ATOM 441 O TYR A 53 6.905 5.469 -6.360 1.00 52.43 O ATOM 442 CB TYR A 53 6.110 8.509 -5.233 1.00 53.34 C ATOM 443 CG TYR A 53 7.337 8.951 -6.020 1.00 23.14 C ATOM 444 CD1 TYR A 53 8.564 8.275 -5.869 1.00 45.11 C ATOM 445 CD2 TYR A 53 7.255 10.039 -6.912 1.00 51.32 C ATOM 446 CE1 TYR A 53 9.692 8.681 -6.602 1.00 41.42 C ATOM 447 CE2 TYR A 53 8.391 10.481 -7.613 1.00 14.44 C ATOM 448 CZ TYR A 53 9.615 9.798 -7.462 1.00 70.55 C ATOM 449 OH TYR A 53 10.724 10.218 -8.138 1.00 11.45 O ATOM 0 H TYR A 53 3.861 7.781 -4.481 1.00 52.34 H new ATOM 0 HA TYR A 53 5.277 7.382 -6.874 1.00 14.53 H new ATOM 0 HB2 TYR A 53 5.397 9.333 -5.202 1.00 53.34 H new ATOM 0 HB3 TYR A 53 6.408 8.307 -4.204 1.00 53.34 H new ATOM 0 HD1 TYR A 53 8.638 7.441 -5.187 1.00 45.11 H new ATOM 0 HD2 TYR A 53 6.309 10.539 -7.059 1.00 51.32 H new ATOM 0 HE1 TYR A 53 10.620 8.137 -6.507 1.00 41.42 H new ATOM 0 HE2 TYR A 53 8.326 11.340 -8.264 1.00 14.44 H new ATOM 0 HH TYR A 53 10.497 10.998 -8.686 1.00 11.45 H new ATOM 459 N LEU A 54 6.310 5.702 -4.186 1.00 54.12 N ATOM 460 CA LEU A 54 7.207 4.623 -3.763 1.00 14.30 C ATOM 461 C LEU A 54 6.898 3.293 -4.466 1.00 65.15 C ATOM 462 O LEU A 54 7.810 2.497 -4.686 1.00 73.41 O ATOM 463 CB LEU A 54 7.156 4.420 -2.243 1.00 3.51 C ATOM 464 CG LEU A 54 7.847 5.477 -1.350 1.00 45.23 C ATOM 465 CD1 LEU A 54 9.309 5.690 -1.750 1.00 33.15 C ATOM 466 CD2 LEU A 54 7.281 6.874 -1.222 1.00 4.11 C ATOM 0 H LEU A 54 5.764 6.135 -3.441 1.00 54.12 H new ATOM 0 HA LEU A 54 8.211 4.934 -4.053 1.00 14.30 H new ATOM 0 HB2 LEU A 54 6.108 4.365 -1.948 1.00 3.51 H new ATOM 0 HB3 LEU A 54 7.601 3.450 -2.020 1.00 3.51 H new ATOM 0 HG LEU A 54 7.676 4.993 -0.388 1.00 45.23 H new ATOM 0 HD11 LEU A 54 9.759 6.440 -1.099 1.00 33.15 H new ATOM 0 HD12 LEU A 54 9.853 4.751 -1.652 1.00 33.15 H new ATOM 0 HD13 LEU A 54 9.357 6.031 -2.784 1.00 33.15 H new ATOM 0 HD21 LEU A 54 7.909 7.461 -0.552 1.00 4.11 H new ATOM 0 HD22 LEU A 54 7.255 7.348 -2.203 1.00 4.11 H new ATOM 0 HD23 LEU A 54 6.270 6.821 -0.818 1.00 4.11 H new ATOM 478 N ALA A 55 5.635 3.054 -4.799 1.00 5.34 N ATOM 479 CA ALA A 55 5.114 1.921 -5.535 1.00 73.02 C ATOM 480 C ALA A 55 5.518 2.023 -7.003 1.00 23.12 C ATOM 481 O ALA A 55 6.091 1.083 -7.554 1.00 61.43 O ATOM 482 CB ALA A 55 3.591 1.947 -5.389 1.00 61.41 C ATOM 0 H ALA A 55 4.893 3.704 -4.537 1.00 5.34 H new ATOM 0 HA ALA A 55 5.515 0.984 -5.148 1.00 73.02 H new ATOM 0 HB1 ALA A 55 3.159 1.106 -5.932 1.00 61.41 H new ATOM 0 HB2 ALA A 55 3.325 1.874 -4.334 1.00 61.41 H new ATOM 0 HB3 ALA A 55 3.202 2.880 -5.797 1.00 61.41 H new ATOM 488 N GLN A 56 5.227 3.165 -7.631 1.00 52.44 N ATOM 489 CA GLN A 56 5.460 3.418 -9.039 1.00 25.02 C ATOM 490 C GLN A 56 6.937 3.278 -9.419 1.00 31.14 C ATOM 491 O GLN A 56 7.217 2.846 -10.538 1.00 22.10 O ATOM 492 CB GLN A 56 4.885 4.809 -9.344 1.00 24.32 C ATOM 493 CG GLN A 56 5.071 5.281 -10.789 1.00 45.55 C ATOM 494 CD GLN A 56 4.052 6.349 -11.174 1.00 24.41 C ATOM 495 OE1 GLN A 56 3.413 6.274 -12.221 1.00 5.50 O ATOM 496 NE2 GLN A 56 3.863 7.348 -10.336 1.00 25.44 N ATOM 0 H GLN A 56 4.809 3.961 -7.149 1.00 52.44 H new ATOM 0 HA GLN A 56 4.958 2.670 -9.653 1.00 25.02 H new ATOM 0 HB2 GLN A 56 3.820 4.804 -9.113 1.00 24.32 H new ATOM 0 HB3 GLN A 56 5.353 5.534 -8.677 1.00 24.32 H new ATOM 0 HG2 GLN A 56 6.078 5.678 -10.914 1.00 45.55 H new ATOM 0 HG3 GLN A 56 4.978 4.430 -11.464 1.00 45.55 H new ATOM 0 HE21 GLN A 56 4.401 7.397 -9.471 1.00 25.44 H new ATOM 0 HE22 GLN A 56 3.179 8.073 -10.552 1.00 25.44 H new ATOM 505 N HIS A 57 7.878 3.615 -8.528 1.00 54.31 N ATOM 506 CA HIS A 57 9.316 3.531 -8.775 1.00 53.23 C ATOM 507 C HIS A 57 9.971 2.475 -7.867 1.00 12.11 C ATOM 508 O HIS A 57 11.156 2.609 -7.548 1.00 4.54 O ATOM 509 CB HIS A 57 9.973 4.924 -8.622 1.00 30.14 C ATOM 510 CG HIS A 57 9.609 5.981 -9.646 1.00 41.22 C ATOM 511 ND1 HIS A 57 10.156 7.245 -9.698 1.00 1.40 N ATOM 512 CD2 HIS A 57 8.755 5.875 -10.712 1.00 53.45 C ATOM 513 CE1 HIS A 57 9.615 7.900 -10.737 1.00 30.20 C ATOM 514 NE2 HIS A 57 8.747 7.104 -11.377 1.00 3.00 N ATOM 0 H HIS A 57 7.652 3.961 -7.596 1.00 54.31 H new ATOM 0 HA HIS A 57 9.476 3.206 -9.803 1.00 53.23 H new ATOM 0 HB2 HIS A 57 9.720 5.310 -7.635 1.00 30.14 H new ATOM 0 HB3 HIS A 57 11.055 4.791 -8.644 1.00 30.14 H new ATOM 0 HD2 HIS A 57 8.189 4.998 -10.989 1.00 53.45 H new ATOM 0 HE1 HIS A 57 9.845 8.918 -11.016 1.00 30.20 H new ATOM 0 HE2 HIS A 57 8.187 7.349 -12.194 1.00 3.00 H new ATOM 522 N ASP A 58 9.241 1.438 -7.426 1.00 11.11 N ATOM 523 CA ASP A 58 9.803 0.429 -6.515 1.00 24.32 C ATOM 524 C ASP A 58 11.075 -0.220 -7.053 1.00 71.45 C ATOM 525 O ASP A 58 11.975 -0.516 -6.265 1.00 11.10 O ATOM 526 CB ASP A 58 8.799 -0.664 -6.105 1.00 12.11 C ATOM 527 CG ASP A 58 8.820 -1.953 -6.943 1.00 25.40 C ATOM 528 OD1 ASP A 58 9.719 -2.811 -6.758 1.00 74.24 O1- ATOM 529 OD2 ASP A 58 7.862 -2.161 -7.711 1.00 32.02 O ATOM 0 H ASP A 58 8.267 1.277 -7.683 1.00 11.11 H new ATOM 0 HA ASP A 58 10.057 0.998 -5.621 1.00 24.32 H new ATOM 0 HB2 ASP A 58 8.986 -0.929 -5.064 1.00 12.11 H new ATOM 0 HB3 ASP A 58 7.795 -0.242 -6.151 1.00 12.11 H new ATOM 534 N GLY A 59 11.156 -0.404 -8.375 1.00 30.02 N ATOM 535 CA GLY A 59 12.287 -1.038 -9.031 1.00 12.22 C ATOM 536 C GLY A 59 13.550 -0.230 -8.779 1.00 63.04 C ATOM 537 O GLY A 59 14.507 -0.751 -8.207 1.00 51.42 O ATOM 0 H GLY A 59 10.424 -0.110 -9.022 1.00 30.02 H new ATOM 0 HA2 GLY A 59 12.414 -2.054 -8.656 1.00 12.22 H new ATOM 0 HA3 GLY A 59 12.101 -1.114 -10.102 1.00 12.22 H new ATOM 541 N GLU A 60 13.538 1.049 -9.174 1.00 34.30 N ATOM 542 CA GLU A 60 14.653 1.967 -8.978 1.00 13.31 C ATOM 543 C GLU A 60 14.997 2.058 -7.493 1.00 32.44 C ATOM 544 O GLU A 60 16.169 1.983 -7.135 1.00 14.44 O ATOM 545 CB GLU A 60 14.291 3.352 -9.545 1.00 41.15 C ATOM 546 CG GLU A 60 15.433 4.369 -9.394 1.00 61.22 C ATOM 547 CD GLU A 60 15.075 5.708 -10.042 1.00 11.14 C ATOM 548 OE1 GLU A 60 15.368 5.896 -11.245 1.00 13.33 O ATOM 549 OE2 GLU A 60 14.507 6.587 -9.346 1.00 45.21 O1- ATOM 0 H GLU A 60 12.740 1.475 -9.645 1.00 34.30 H new ATOM 0 HA GLU A 60 15.529 1.595 -9.509 1.00 13.31 H new ATOM 0 HB2 GLU A 60 14.035 3.253 -10.600 1.00 41.15 H new ATOM 0 HB3 GLU A 60 13.404 3.729 -9.035 1.00 41.15 H new ATOM 0 HG2 GLU A 60 15.650 4.521 -8.337 1.00 61.22 H new ATOM 0 HG3 GLU A 60 16.339 3.972 -9.852 1.00 61.22 H new ATOM 556 N ILE A 61 13.995 2.245 -6.625 1.00 70.25 N ATOM 557 CA ILE A 61 14.233 2.486 -5.206 1.00 51.10 C ATOM 558 C ILE A 61 14.884 1.265 -4.563 1.00 30.35 C ATOM 559 O ILE A 61 15.898 1.413 -3.881 1.00 2.11 O ATOM 560 CB ILE A 61 12.924 2.903 -4.501 1.00 44.23 C ATOM 561 CG1 ILE A 61 12.518 4.303 -5.004 1.00 51.40 C ATOM 562 CG2 ILE A 61 13.103 2.958 -2.972 1.00 54.32 C ATOM 563 CD1 ILE A 61 11.174 4.772 -4.448 1.00 2.13 C ATOM 0 H ILE A 61 13.009 2.233 -6.887 1.00 70.25 H new ATOM 0 HA ILE A 61 14.930 3.316 -5.093 1.00 51.10 H new ATOM 0 HB ILE A 61 12.156 2.165 -4.731 1.00 44.23 H new ATOM 0 HG12 ILE A 61 13.290 5.021 -4.726 1.00 51.40 H new ATOM 0 HG13 ILE A 61 12.470 4.292 -6.093 1.00 51.40 H new ATOM 0 HG21 ILE A 61 12.163 3.255 -2.506 1.00 54.32 H new ATOM 0 HG22 ILE A 61 13.396 1.975 -2.604 1.00 54.32 H new ATOM 0 HG23 ILE A 61 13.877 3.684 -2.722 1.00 54.32 H new ATOM 0 HD11 ILE A 61 10.944 5.763 -4.839 1.00 2.13 H new ATOM 0 HD12 ILE A 61 10.393 4.074 -4.748 1.00 2.13 H new ATOM 0 HD13 ILE A 61 11.225 4.814 -3.360 1.00 2.13 H new ATOM 575 N ARG A 62 14.295 0.074 -4.704 1.00 12.55 N ATOM 576 CA ARG A 62 14.803 -1.102 -4.008 1.00 53.21 C ATOM 577 C ARG A 62 16.153 -1.500 -4.580 1.00 51.41 C ATOM 578 O ARG A 62 17.016 -1.899 -3.795 1.00 33.33 O ATOM 579 CB ARG A 62 13.789 -2.249 -4.091 1.00 41.11 C ATOM 580 CG ARG A 62 14.009 -3.323 -3.011 1.00 5.10 C ATOM 581 CD ARG A 62 12.958 -4.407 -3.249 1.00 3.21 C ATOM 582 NE ARG A 62 12.757 -5.338 -2.125 1.00 32.43 N ATOM 583 CZ ARG A 62 11.596 -5.982 -1.909 1.00 51.45 C ATOM 584 NH1 ARG A 62 10.570 -5.800 -2.744 1.00 1.23 N1+ ATOM 585 NH2 ARG A 62 11.470 -6.810 -0.875 1.00 63.01 N ATOM 0 H ARG A 62 13.476 -0.096 -5.287 1.00 12.55 H new ATOM 0 HA ARG A 62 14.944 -0.866 -2.953 1.00 53.21 H new ATOM 0 HB2 ARG A 62 12.782 -1.844 -3.994 1.00 41.11 H new ATOM 0 HB3 ARG A 62 13.852 -2.713 -5.075 1.00 41.11 H new ATOM 0 HG2 ARG A 62 15.015 -3.738 -3.077 1.00 5.10 H new ATOM 0 HG3 ARG A 62 13.905 -2.896 -2.014 1.00 5.10 H new ATOM 0 HD2 ARG A 62 12.007 -3.926 -3.477 1.00 3.21 H new ATOM 0 HD3 ARG A 62 13.244 -4.982 -4.130 1.00 3.21 H new ATOM 0 HE ARG A 62 13.532 -5.501 -1.482 1.00 32.43 H new ATOM 0 HH11 ARG A 62 10.668 -5.174 -3.543 1.00 1.23 H new ATOM 0 HH12 ARG A 62 9.688 -6.287 -2.583 1.00 1.23 H new ATOM 0 HH21 ARG A 62 12.256 -6.959 -0.242 1.00 63.01 H new ATOM 0 HH22 ARG A 62 10.588 -7.296 -0.715 1.00 63.01 H new ATOM 599 N ALA A 63 16.342 -1.391 -5.900 1.00 62.22 N ATOM 600 CA ALA A 63 17.621 -1.666 -6.528 1.00 64.30 C ATOM 601 C ALA A 63 18.674 -0.724 -5.953 1.00 74.43 C ATOM 602 O ALA A 63 19.723 -1.192 -5.527 1.00 71.40 O ATOM 603 CB ALA A 63 17.522 -1.514 -8.050 1.00 70.20 C ATOM 0 H ALA A 63 15.610 -1.110 -6.553 1.00 62.22 H new ATOM 0 HA ALA A 63 17.911 -2.696 -6.320 1.00 64.30 H new ATOM 0 HB1 ALA A 63 18.492 -1.725 -8.501 1.00 70.20 H new ATOM 0 HB2 ALA A 63 16.782 -2.214 -8.438 1.00 70.20 H new ATOM 0 HB3 ALA A 63 17.222 -0.495 -8.295 1.00 70.20 H new ATOM 609 N GLU A 64 18.398 0.580 -5.892 1.00 30.31 N ATOM 610 CA GLU A 64 19.345 1.553 -5.364 1.00 73.50 C ATOM 611 C GLU A 64 19.656 1.249 -3.899 1.00 64.44 C ATOM 612 O GLU A 64 20.817 1.155 -3.508 1.00 32.55 O ATOM 613 CB GLU A 64 18.777 2.964 -5.560 1.00 74.20 C ATOM 614 CG GLU A 64 19.819 4.051 -5.289 1.00 43.20 C ATOM 615 CD GLU A 64 20.967 4.072 -6.302 1.00 42.31 C ATOM 616 OE1 GLU A 64 20.927 3.354 -7.330 1.00 51.12 O ATOM 617 OE2 GLU A 64 21.877 4.911 -6.130 1.00 10.22 O1- ATOM 0 H GLU A 64 17.516 0.985 -6.206 1.00 30.31 H new ATOM 0 HA GLU A 64 20.289 1.491 -5.905 1.00 73.50 H new ATOM 0 HB2 GLU A 64 18.406 3.066 -6.580 1.00 74.20 H new ATOM 0 HB3 GLU A 64 17.925 3.106 -4.895 1.00 74.20 H new ATOM 0 HG2 GLU A 64 19.326 5.023 -5.292 1.00 43.20 H new ATOM 0 HG3 GLU A 64 20.231 3.906 -4.290 1.00 43.20 H new ATOM 624 N ALA A 65 18.618 1.046 -3.091 1.00 53.32 N ATOM 625 CA ALA A 65 18.727 0.694 -1.691 1.00 44.31 C ATOM 626 C ALA A 65 19.323 -0.700 -1.462 1.00 32.35 C ATOM 627 O ALA A 65 19.617 -1.025 -0.316 1.00 33.23 O ATOM 628 CB ALA A 65 17.337 0.779 -1.066 1.00 12.03 C ATOM 0 H ALA A 65 17.652 1.126 -3.409 1.00 53.32 H new ATOM 0 HA ALA A 65 19.415 1.397 -1.221 1.00 44.31 H new ATOM 0 HB1 ALA A 65 17.396 0.517 -0.010 1.00 12.03 H new ATOM 0 HB2 ALA A 65 16.954 1.794 -1.167 1.00 12.03 H new ATOM 0 HB3 ALA A 65 16.667 0.086 -1.574 1.00 12.03 H new ATOM 634 N ALA A 66 19.440 -1.558 -2.479 1.00 41.11 N ATOM 635 CA ALA A 66 20.123 -2.848 -2.389 1.00 74.24 C ATOM 636 C ALA A 66 21.541 -2.807 -2.976 1.00 70.23 C ATOM 637 O ALA A 66 22.337 -3.714 -2.718 1.00 3.22 O ATOM 638 CB ALA A 66 19.274 -3.920 -3.073 1.00 71.31 C ATOM 0 H ALA A 66 19.055 -1.370 -3.405 1.00 41.11 H new ATOM 0 HA ALA A 66 20.240 -3.094 -1.334 1.00 74.24 H new ATOM 0 HB1 ALA A 66 19.781 -4.883 -3.007 1.00 71.31 H new ATOM 0 HB2 ALA A 66 18.304 -3.986 -2.579 1.00 71.31 H new ATOM 0 HB3 ALA A 66 19.130 -3.657 -4.121 1.00 71.31 H new ATOM 644 N ALA A 67 21.856 -1.767 -3.748 1.00 64.34 N ATOM 645 CA ALA A 67 23.159 -1.501 -4.341 1.00 52.42 C ATOM 646 C ALA A 67 23.947 -0.455 -3.537 1.00 24.41 C ATOM 647 O ALA A 67 25.061 -0.097 -3.924 1.00 44.11 O ATOM 648 CB ALA A 67 22.942 -1.041 -5.786 1.00 11.25 C ATOM 0 H ALA A 67 21.170 -1.051 -3.987 1.00 64.34 H new ATOM 0 HA ALA A 67 23.757 -2.412 -4.326 1.00 52.42 H new ATOM 0 HB1 ALA A 67 23.906 -0.836 -6.251 1.00 11.25 H new ATOM 0 HB2 ALA A 67 22.429 -1.824 -6.344 1.00 11.25 H new ATOM 0 HB3 ALA A 67 22.336 -0.135 -5.792 1.00 11.25 H new ATOM 654 N ASP A 68 23.386 0.060 -2.441 1.00 13.44 N ATOM 655 CA ASP A 68 24.051 0.956 -1.501 1.00 50.22 C ATOM 656 C ASP A 68 25.315 0.272 -0.963 1.00 21.32 C ATOM 657 O ASP A 68 25.282 -0.936 -0.713 1.00 74.43 O ATOM 658 CB ASP A 68 23.054 1.285 -0.380 1.00 25.21 C ATOM 659 CG ASP A 68 23.705 1.990 0.811 1.00 21.12 C ATOM 660 OD1 ASP A 68 24.267 1.307 1.698 1.00 72.44 O1- ATOM 661 OD2 ASP A 68 23.600 3.234 0.923 1.00 12.43 O ATOM 0 H ASP A 68 22.422 -0.144 -2.177 1.00 13.44 H new ATOM 0 HA ASP A 68 24.360 1.885 -1.980 1.00 50.22 H new ATOM 0 HB2 ASP A 68 22.261 1.917 -0.780 1.00 25.21 H new ATOM 0 HB3 ASP A 68 22.584 0.363 -0.037 1.00 25.21 H new ATOM 666 N PRO A 69 26.417 1.000 -0.714 1.00 65.54 N ATOM 667 CA PRO A 69 27.710 0.374 -0.461 1.00 25.21 C ATOM 668 C PRO A 69 27.702 -0.489 0.805 1.00 13.22 C ATOM 669 O PRO A 69 28.352 -1.540 0.850 1.00 70.53 O ATOM 670 CB PRO A 69 28.718 1.522 -0.378 1.00 24.53 C ATOM 671 CG PRO A 69 27.860 2.753 -0.090 1.00 2.22 C ATOM 672 CD PRO A 69 26.573 2.439 -0.835 1.00 30.41 C ATOM 0 HA PRO A 69 27.973 -0.321 -1.259 1.00 25.21 H new ATOM 0 HB2 PRO A 69 29.450 1.353 0.412 1.00 24.53 H new ATOM 0 HB3 PRO A 69 29.273 1.633 -1.309 1.00 24.53 H new ATOM 0 HG2 PRO A 69 27.688 2.887 0.978 1.00 2.22 H new ATOM 0 HG3 PRO A 69 28.327 3.668 -0.455 1.00 2.22 H new ATOM 0 HD2 PRO A 69 25.725 2.967 -0.399 1.00 30.41 H new ATOM 0 HD3 PRO A 69 26.636 2.744 -1.880 1.00 30.41 H new ATOM 680 N ALA A 70 26.956 -0.075 1.833 1.00 54.30 N ATOM 681 CA ALA A 70 26.896 -0.819 3.081 1.00 65.23 C ATOM 682 C ALA A 70 25.972 -2.033 2.959 1.00 74.51 C ATOM 683 O ALA A 70 26.082 -2.959 3.762 1.00 52.43 O ATOM 684 CB ALA A 70 26.446 0.113 4.205 1.00 11.13 C ATOM 0 H ALA A 70 26.388 0.772 1.820 1.00 54.30 H new ATOM 0 HA ALA A 70 27.890 -1.200 3.316 1.00 65.23 H new ATOM 0 HB1 ALA A 70 26.400 -0.442 5.142 1.00 11.13 H new ATOM 0 HB2 ALA A 70 27.157 0.933 4.304 1.00 11.13 H new ATOM 0 HB3 ALA A 70 25.459 0.514 3.972 1.00 11.13 H new ATOM 690 N VAL A 71 25.063 -2.051 1.981 1.00 70.40 N ATOM 691 CA VAL A 71 24.196 -3.190 1.729 1.00 51.11 C ATOM 692 C VAL A 71 24.986 -4.249 0.975 1.00 63.52 C ATOM 693 O VAL A 71 25.083 -5.373 1.471 1.00 61.44 O ATOM 694 CB VAL A 71 22.884 -2.755 1.043 1.00 22.24 C ATOM 695 CG1 VAL A 71 21.935 -3.953 0.873 1.00 13.11 C ATOM 696 CG2 VAL A 71 22.180 -1.679 1.897 1.00 65.44 C ATOM 0 H VAL A 71 24.912 -1.270 1.343 1.00 70.40 H new ATOM 0 HA VAL A 71 23.871 -3.642 2.666 1.00 51.11 H new ATOM 0 HB VAL A 71 23.131 -2.352 0.061 1.00 22.24 H new ATOM 0 HG11 VAL A 71 21.016 -3.624 0.387 1.00 13.11 H new ATOM 0 HG12 VAL A 71 22.417 -4.715 0.260 1.00 13.11 H new ATOM 0 HG13 VAL A 71 21.698 -4.371 1.851 1.00 13.11 H new ATOM 0 HG21 VAL A 71 21.254 -1.375 1.409 1.00 65.44 H new ATOM 0 HG22 VAL A 71 21.954 -2.087 2.882 1.00 65.44 H new ATOM 0 HG23 VAL A 71 22.834 -0.814 2.004 1.00 65.44 H new ATOM 706 N VAL A 72 25.629 -3.892 -0.142 1.00 64.24 N ATOM 707 CA VAL A 72 26.466 -4.831 -0.882 1.00 25.44 C ATOM 708 C VAL A 72 27.534 -5.429 0.035 1.00 54.21 C ATOM 709 O VAL A 72 27.685 -6.655 0.071 1.00 30.33 O ATOM 710 CB VAL A 72 27.029 -4.215 -2.181 1.00 11.34 C ATOM 711 CG1 VAL A 72 25.880 -3.745 -3.086 1.00 25.41 C ATOM 712 CG2 VAL A 72 27.973 -3.025 -1.990 1.00 44.01 C ATOM 0 H VAL A 72 25.583 -2.958 -0.550 1.00 64.24 H new ATOM 0 HA VAL A 72 25.843 -5.660 -1.219 1.00 25.44 H new ATOM 0 HB VAL A 72 27.613 -5.021 -2.625 1.00 11.34 H new ATOM 0 HG11 VAL A 72 26.289 -3.312 -3.999 1.00 25.41 H new ATOM 0 HG12 VAL A 72 25.246 -4.594 -3.340 1.00 25.41 H new ATOM 0 HG13 VAL A 72 25.288 -2.994 -2.562 1.00 25.41 H new ATOM 0 HG21 VAL A 72 28.311 -2.669 -2.963 1.00 44.01 H new ATOM 0 HG22 VAL A 72 27.447 -2.223 -1.472 1.00 44.01 H new ATOM 0 HG23 VAL A 72 28.834 -3.335 -1.398 1.00 44.01 H new ATOM 722 N ALA A 73 28.192 -4.578 0.831 1.00 33.44 N ATOM 723 CA ALA A 73 29.164 -4.994 1.831 1.00 24.24 C ATOM 724 C ALA A 73 28.562 -6.004 2.807 1.00 71.34 C ATOM 725 O ALA A 73 29.079 -7.120 2.944 1.00 44.32 O ATOM 726 CB ALA A 73 29.689 -3.769 2.585 1.00 42.12 C ATOM 0 H ALA A 73 28.057 -3.568 0.793 1.00 33.44 H new ATOM 0 HA ALA A 73 29.993 -5.484 1.319 1.00 24.24 H new ATOM 0 HB1 ALA A 73 30.416 -4.086 3.332 1.00 42.12 H new ATOM 0 HB2 ALA A 73 30.165 -3.086 1.882 1.00 42.12 H new ATOM 0 HB3 ALA A 73 28.859 -3.262 3.078 1.00 42.12 H new ATOM 732 N ALA A 74 27.494 -5.619 3.511 1.00 44.02 N ATOM 733 CA ALA A 74 26.963 -6.429 4.595 1.00 45.43 C ATOM 734 C ALA A 74 26.343 -7.731 4.095 1.00 30.54 C ATOM 735 O ALA A 74 26.453 -8.737 4.791 1.00 42.21 O ATOM 736 CB ALA A 74 25.958 -5.623 5.416 1.00 33.54 C ATOM 0 H ALA A 74 26.985 -4.751 3.345 1.00 44.02 H new ATOM 0 HA ALA A 74 27.799 -6.706 5.236 1.00 45.43 H new ATOM 0 HB1 ALA A 74 25.569 -6.242 6.224 1.00 33.54 H new ATOM 0 HB2 ALA A 74 26.451 -4.746 5.836 1.00 33.54 H new ATOM 0 HB3 ALA A 74 25.136 -5.305 4.775 1.00 33.54 H new ATOM 742 N LYS A 75 25.711 -7.755 2.915 1.00 21.53 N ATOM 743 CA LYS A 75 25.186 -8.999 2.353 1.00 32.44 C ATOM 744 C LYS A 75 26.357 -9.915 2.009 1.00 4.32 C ATOM 745 O LYS A 75 26.313 -11.089 2.371 1.00 72.52 O ATOM 746 CB LYS A 75 24.278 -8.731 1.141 1.00 14.14 C ATOM 747 CG LYS A 75 23.151 -9.767 0.945 1.00 25.32 C ATOM 748 CD LYS A 75 23.580 -11.212 0.626 1.00 3.41 C ATOM 749 CE LYS A 75 23.545 -12.195 1.814 1.00 74.10 C ATOM 750 NZ LYS A 75 22.232 -12.872 1.971 1.00 21.32 N1+ ATOM 0 H LYS A 75 25.553 -6.930 2.336 1.00 21.53 H new ATOM 0 HA LYS A 75 24.557 -9.497 3.091 1.00 32.44 H new ATOM 0 HB2 LYS A 75 23.831 -7.743 1.249 1.00 14.14 H new ATOM 0 HB3 LYS A 75 24.892 -8.706 0.241 1.00 14.14 H new ATOM 0 HG2 LYS A 75 22.546 -9.785 1.851 1.00 25.32 H new ATOM 0 HG3 LYS A 75 22.506 -9.419 0.138 1.00 25.32 H new ATOM 0 HD2 LYS A 75 22.933 -11.599 -0.162 1.00 3.41 H new ATOM 0 HD3 LYS A 75 24.593 -11.191 0.225 1.00 3.41 H new ATOM 0 HE2 LYS A 75 24.321 -12.948 1.678 1.00 74.10 H new ATOM 0 HE3 LYS A 75 23.781 -11.656 2.731 1.00 74.10 H new ATOM 0 HZ1 LYS A 75 22.270 -13.519 2.784 1.00 21.32 H new ATOM 0 HZ2 LYS A 75 21.491 -12.160 2.130 1.00 21.32 H new ATOM 0 HZ3 LYS A 75 22.015 -13.412 1.109 1.00 21.32 H new ATOM 764 N ALA A 76 27.416 -9.391 1.378 1.00 4.31 N ATOM 765 CA ALA A 76 28.592 -10.187 1.044 1.00 12.21 C ATOM 766 C ALA A 76 29.212 -10.795 2.305 1.00 34.21 C ATOM 767 O ALA A 76 29.598 -11.963 2.294 1.00 64.53 O ATOM 768 CB ALA A 76 29.617 -9.344 0.275 1.00 14.12 C ATOM 0 H ALA A 76 27.477 -8.414 1.090 1.00 4.31 H new ATOM 0 HA ALA A 76 28.279 -11.006 0.397 1.00 12.21 H new ATOM 0 HB1 ALA A 76 30.486 -9.957 0.036 1.00 14.12 H new ATOM 0 HB2 ALA A 76 29.167 -8.976 -0.647 1.00 14.12 H new ATOM 0 HB3 ALA A 76 29.927 -8.499 0.889 1.00 14.12 H new ATOM 774 N ALA A 77 29.284 -10.035 3.400 1.00 65.34 N ATOM 775 CA ALA A 77 29.792 -10.554 4.661 1.00 63.51 C ATOM 776 C ALA A 77 28.825 -11.581 5.267 1.00 21.25 C ATOM 777 O ALA A 77 29.273 -12.613 5.764 1.00 13.14 O ATOM 778 CB ALA A 77 30.081 -9.392 5.614 1.00 73.24 C ATOM 0 H ALA A 77 28.995 -9.057 3.434 1.00 65.34 H new ATOM 0 HA ALA A 77 30.728 -11.083 4.482 1.00 63.51 H new ATOM 0 HB1 ALA A 77 30.461 -9.782 6.558 1.00 73.24 H new ATOM 0 HB2 ALA A 77 30.825 -8.732 5.168 1.00 73.24 H new ATOM 0 HB3 ALA A 77 29.163 -8.833 5.796 1.00 73.24 H new ATOM 784 N LEU A 78 27.508 -11.336 5.226 1.00 54.03 N ATOM 785 CA LEU A 78 26.500 -12.261 5.753 1.00 30.02 C ATOM 786 C LEU A 78 26.616 -13.619 5.080 1.00 4.14 C ATOM 787 O LEU A 78 26.530 -14.618 5.771 1.00 5.44 O ATOM 788 CB LEU A 78 25.064 -11.732 5.564 1.00 4.13 C ATOM 789 CG LEU A 78 24.452 -11.171 6.862 1.00 3.53 C ATOM 790 CD1 LEU A 78 23.273 -10.236 6.565 1.00 5.14 C ATOM 791 CD2 LEU A 78 23.976 -12.261 7.827 1.00 42.20 C ATOM 0 H LEU A 78 27.112 -10.486 4.824 1.00 54.03 H new ATOM 0 HA LEU A 78 26.693 -12.354 6.822 1.00 30.02 H new ATOM 0 HB2 LEU A 78 25.068 -10.951 4.804 1.00 4.13 H new ATOM 0 HB3 LEU A 78 24.432 -12.538 5.190 1.00 4.13 H new ATOM 0 HG LEU A 78 25.260 -10.619 7.343 1.00 3.53 H new ATOM 0 HD11 LEU A 78 22.864 -9.857 7.502 1.00 5.14 H new ATOM 0 HD12 LEU A 78 23.616 -9.400 5.955 1.00 5.14 H new ATOM 0 HD13 LEU A 78 22.500 -10.785 6.027 1.00 5.14 H new ATOM 0 HD21 LEU A 78 23.556 -11.798 8.720 1.00 42.20 H new ATOM 0 HD22 LEU A 78 23.214 -12.870 7.341 1.00 42.20 H new ATOM 0 HD23 LEU A 78 24.819 -12.892 8.108 1.00 42.20 H new ATOM 803 N ASP A 79 26.849 -13.650 3.769 1.00 74.02 N ATOM 804 CA ASP A 79 26.961 -14.859 2.940 1.00 65.22 C ATOM 805 C ASP A 79 28.040 -15.806 3.478 1.00 1.33 C ATOM 806 O ASP A 79 27.930 -17.029 3.403 1.00 61.20 O ATOM 807 CB ASP A 79 27.302 -14.370 1.520 1.00 71.32 C ATOM 808 CG ASP A 79 27.312 -15.398 0.388 1.00 10.32 C ATOM 809 OD1 ASP A 79 28.085 -16.380 0.437 1.00 2.31 O ATOM 810 OD2 ASP A 79 26.689 -15.075 -0.655 1.00 21.33 O1- ATOM 0 H ASP A 79 26.971 -12.795 3.226 1.00 74.02 H new ATOM 0 HA ASP A 79 26.033 -15.430 2.948 1.00 65.22 H new ATOM 0 HB2 ASP A 79 26.588 -13.590 1.256 1.00 71.32 H new ATOM 0 HB3 ASP A 79 28.286 -13.903 1.555 1.00 71.32 H new ATOM 815 N ALA A 80 29.071 -15.229 4.098 1.00 1.34 N ATOM 816 CA ALA A 80 30.253 -15.928 4.562 1.00 3.45 C ATOM 817 C ALA A 80 30.213 -16.149 6.075 1.00 43.12 C ATOM 818 O ALA A 80 30.952 -16.995 6.581 1.00 22.02 O ATOM 819 CB ALA A 80 31.471 -15.090 4.162 1.00 14.42 C ATOM 0 H ALA A 80 29.099 -14.228 4.294 1.00 1.34 H new ATOM 0 HA ALA A 80 30.305 -16.917 4.106 1.00 3.45 H new ATOM 0 HB1 ALA A 80 32.381 -15.588 4.497 1.00 14.42 H new ATOM 0 HB2 ALA A 80 31.496 -14.979 3.078 1.00 14.42 H new ATOM 0 HB3 ALA A 80 31.404 -14.106 4.626 1.00 14.42 H new ATOM 825 N VAL A 81 29.359 -15.420 6.798 1.00 42.24 N ATOM 826 CA VAL A 81 29.280 -15.395 8.255 1.00 31.32 C ATOM 827 C VAL A 81 27.810 -15.627 8.650 1.00 21.42 C ATOM 828 O VAL A 81 27.270 -15.026 9.582 1.00 61.24 O ATOM 829 CB VAL A 81 29.923 -14.095 8.799 1.00 51.34 C ATOM 830 CG1 VAL A 81 30.173 -14.136 10.317 1.00 43.12 C ATOM 831 CG2 VAL A 81 31.293 -13.802 8.160 1.00 5.32 C ATOM 0 H VAL A 81 28.674 -14.804 6.360 1.00 42.24 H new ATOM 0 HA VAL A 81 29.858 -16.194 8.720 1.00 31.32 H new ATOM 0 HB VAL A 81 29.195 -13.323 8.548 1.00 51.34 H new ATOM 0 HG11 VAL A 81 30.625 -13.197 10.637 1.00 43.12 H new ATOM 0 HG12 VAL A 81 29.226 -14.279 10.838 1.00 43.12 H new ATOM 0 HG13 VAL A 81 30.845 -14.961 10.553 1.00 43.12 H new ATOM 0 HG21 VAL A 81 31.699 -12.880 8.577 1.00 5.32 H new ATOM 0 HG22 VAL A 81 31.975 -14.626 8.368 1.00 5.32 H new ATOM 0 HG23 VAL A 81 31.176 -13.692 7.082 1.00 5.32 H new ATOM 841 N GLU A 82 27.138 -16.476 7.873 1.00 64.12 N ATOM 842 CA GLU A 82 25.753 -16.860 8.038 1.00 3.22 C ATOM 843 C GLU A 82 25.642 -17.888 9.181 1.00 52.34 C ATOM 844 O GLU A 82 26.454 -17.887 10.104 1.00 45.41 O ATOM 845 CB GLU A 82 25.178 -17.359 6.703 1.00 51.41 C ATOM 846 CG GLU A 82 23.691 -16.986 6.648 1.00 54.41 C ATOM 847 CD GLU A 82 22.883 -18.039 5.906 1.00 65.00 C ATOM 848 OE1 GLU A 82 22.656 -19.117 6.506 1.00 25.13 O1- ATOM 849 OE2 GLU A 82 22.374 -17.740 4.800 1.00 61.03 O ATOM 0 H GLU A 82 27.575 -16.933 7.073 1.00 64.12 H new ATOM 0 HA GLU A 82 25.148 -16.000 8.324 1.00 3.22 H new ATOM 0 HB2 GLU A 82 25.713 -16.909 5.867 1.00 51.41 H new ATOM 0 HB3 GLU A 82 25.302 -18.438 6.616 1.00 51.41 H new ATOM 0 HG2 GLU A 82 23.304 -16.875 7.661 1.00 54.41 H new ATOM 0 HG3 GLU A 82 23.574 -16.021 6.155 1.00 54.41 H new ATOM 856 N GLY A 83 24.610 -18.741 9.182 1.00 43.33 N ATOM 857 CA GLY A 83 24.587 -19.954 10.002 1.00 13.32 C ATOM 858 C GLY A 83 24.572 -19.713 11.514 1.00 12.45 C ATOM 859 O GLY A 83 24.761 -20.653 12.292 1.00 71.33 O ATOM 0 H GLY A 83 23.772 -18.609 8.616 1.00 43.33 H new ATOM 0 HA2 GLY A 83 23.707 -20.539 9.734 1.00 13.32 H new ATOM 0 HA3 GLY A 83 25.460 -20.559 9.754 1.00 13.32 H new ATOM 863 N GLY A 84 24.350 -18.474 11.964 1.00 63.11 N ATOM 864 CA GLY A 84 24.516 -18.100 13.361 1.00 50.12 C ATOM 865 C GLY A 84 25.971 -18.264 13.811 1.00 51.53 C ATOM 866 O GLY A 84 26.205 -18.737 14.928 1.00 5.15 O ATOM 0 H GLY A 84 24.050 -17.705 11.364 1.00 63.11 H new ATOM 0 HA2 GLY A 84 24.204 -17.065 13.502 1.00 50.12 H new ATOM 0 HA3 GLY A 84 23.868 -18.717 13.984 1.00 50.12 H new ATOM 870 N SER A 85 26.940 -17.972 12.936 1.00 61.30 N ATOM 871 CA SER A 85 28.352 -17.912 13.294 1.00 10.24 C ATOM 872 C SER A 85 28.596 -16.807 14.331 1.00 3.15 C ATOM 873 O SER A 85 27.695 -16.029 14.651 1.00 71.14 O ATOM 874 CB SER A 85 29.205 -17.714 12.030 1.00 73.21 C ATOM 875 OG SER A 85 30.344 -18.543 12.136 1.00 71.00 O ATOM 0 H SER A 85 26.759 -17.770 11.953 1.00 61.30 H new ATOM 0 HA SER A 85 28.650 -18.855 13.752 1.00 10.24 H new ATOM 0 HB2 SER A 85 28.631 -17.968 11.139 1.00 73.21 H new ATOM 0 HB3 SER A 85 29.502 -16.670 11.931 1.00 73.21 H new ATOM 0 HG SER A 85 30.903 -18.434 11.338 1.00 71.00 H new ATOM 881 N HIS A 86 29.815 -16.713 14.863 1.00 23.41 N ATOM 882 CA HIS A 86 30.108 -15.861 16.013 1.00 32.13 C ATOM 883 C HIS A 86 29.745 -14.394 15.738 1.00 44.21 C ATOM 884 O HIS A 86 29.085 -13.756 16.556 1.00 3.54 O ATOM 885 CB HIS A 86 31.581 -16.032 16.408 1.00 72.44 C ATOM 886 CG HIS A 86 31.906 -15.649 17.825 1.00 3.11 C ATOM 887 ND1 HIS A 86 32.465 -16.490 18.758 1.00 42.50 N ATOM 888 CD2 HIS A 86 31.771 -14.412 18.393 1.00 31.42 C ATOM 889 CE1 HIS A 86 32.677 -15.771 19.875 1.00 30.41 C ATOM 890 NE2 HIS A 86 32.245 -14.505 19.709 1.00 72.10 N ATOM 0 H HIS A 86 30.624 -17.224 14.509 1.00 23.41 H new ATOM 0 HA HIS A 86 29.487 -16.170 16.854 1.00 32.13 H new ATOM 0 HB2 HIS A 86 31.864 -17.073 16.255 1.00 72.44 H new ATOM 0 HB3 HIS A 86 32.194 -15.432 15.735 1.00 72.44 H new ATOM 0 HD2 HIS A 86 31.373 -13.528 17.916 1.00 31.42 H new ATOM 0 HE1 HIS A 86 33.130 -16.154 20.778 1.00 30.41 H new ATOM 0 HE2 HIS A 86 32.260 -13.760 20.405 1.00 72.10 H new ATOM 898 N ASN A 87 30.154 -13.856 14.585 1.00 51.24 N ATOM 899 CA ASN A 87 29.829 -12.492 14.158 1.00 5.41 C ATOM 900 C ASN A 87 28.471 -12.386 13.465 1.00 50.20 C ATOM 901 O ASN A 87 28.147 -11.273 13.051 1.00 3.14 O ATOM 902 CB ASN A 87 30.936 -11.921 13.240 1.00 63.33 C ATOM 903 CG ASN A 87 31.963 -11.084 13.988 1.00 3.03 C ATOM 904 OD1 ASN A 87 32.154 -11.218 15.195 1.00 62.51 O ATOM 905 ND2 ASN A 87 32.711 -10.260 13.277 1.00 25.12 N ATOM 0 H ASN A 87 30.729 -14.364 13.912 1.00 51.24 H new ATOM 0 HA ASN A 87 29.770 -11.898 15.070 1.00 5.41 H new ATOM 0 HB2 ASN A 87 31.444 -12.745 12.739 1.00 63.33 H new ATOM 0 HB3 ASN A 87 30.476 -11.310 12.463 1.00 63.33 H new ATOM 0 HD21 ASN A 87 33.455 -9.728 13.729 1.00 25.12 H new ATOM 0 HD22 ASN A 87 32.545 -10.156 12.276 1.00 25.12 H new ATOM 912 N TYR A 88 27.674 -13.460 13.329 1.00 30.32 N ATOM 913 CA TYR A 88 26.380 -13.412 12.639 1.00 71.01 C ATOM 914 C TYR A 88 25.553 -12.253 13.177 1.00 25.32 C ATOM 915 O TYR A 88 25.126 -11.415 12.394 1.00 72.21 O ATOM 916 CB TYR A 88 25.594 -14.727 12.726 1.00 45.53 C ATOM 917 CG TYR A 88 24.165 -14.631 12.201 1.00 42.51 C ATOM 918 CD1 TYR A 88 23.118 -14.268 13.069 1.00 14.32 C ATOM 919 CD2 TYR A 88 23.878 -14.873 10.845 1.00 63.42 C ATOM 920 CE1 TYR A 88 21.800 -14.153 12.601 1.00 25.42 C ATOM 921 CE2 TYR A 88 22.553 -14.788 10.367 1.00 21.45 C ATOM 922 CZ TYR A 88 21.506 -14.423 11.250 1.00 51.44 C ATOM 923 OH TYR A 88 20.214 -14.323 10.829 1.00 53.20 O ATOM 0 H TYR A 88 27.911 -14.382 13.695 1.00 30.32 H new ATOM 0 HA TYR A 88 26.589 -13.258 11.580 1.00 71.01 H new ATOM 0 HB2 TYR A 88 26.126 -15.494 12.164 1.00 45.53 H new ATOM 0 HB3 TYR A 88 25.567 -15.054 13.765 1.00 45.53 H new ATOM 0 HD1 TYR A 88 23.332 -14.075 14.110 1.00 14.32 H new ATOM 0 HD2 TYR A 88 24.678 -15.126 10.165 1.00 63.42 H new ATOM 0 HE1 TYR A 88 21.011 -13.857 13.277 1.00 25.42 H new ATOM 0 HE2 TYR A 88 22.337 -15.001 9.330 1.00 21.45 H new ATOM 0 HH TYR A 88 20.164 -14.537 9.874 1.00 53.20 H new ATOM 933 N GLY A 89 25.375 -12.155 14.498 1.00 61.42 N ATOM 934 CA GLY A 89 24.577 -11.097 15.102 1.00 44.21 C ATOM 935 C GLY A 89 25.060 -9.690 14.736 1.00 11.54 C ATOM 936 O GLY A 89 24.234 -8.776 14.642 1.00 53.43 O ATOM 0 H GLY A 89 25.780 -12.806 15.171 1.00 61.42 H new ATOM 0 HA2 GLY A 89 23.539 -11.210 14.789 1.00 44.21 H new ATOM 0 HA3 GLY A 89 24.597 -11.210 16.186 1.00 44.21 H new ATOM 940 N GLU A 90 26.368 -9.499 14.539 1.00 3.24 N ATOM 941 CA GLU A 90 26.949 -8.205 14.202 1.00 21.33 C ATOM 942 C GLU A 90 26.790 -7.907 12.712 1.00 70.13 C ATOM 943 O GLU A 90 26.356 -6.810 12.362 1.00 30.25 O ATOM 944 CB GLU A 90 28.423 -8.113 14.633 1.00 54.14 C ATOM 945 CG GLU A 90 28.543 -7.917 16.151 1.00 63.23 C ATOM 946 CD GLU A 90 29.970 -7.557 16.567 1.00 34.13 C ATOM 947 OE1 GLU A 90 30.497 -6.536 16.060 1.00 2.34 O1- ATOM 948 OE2 GLU A 90 30.569 -8.301 17.377 1.00 45.23 O ATOM 0 H GLU A 90 27.056 -10.248 14.611 1.00 3.24 H new ATOM 0 HA GLU A 90 26.402 -7.445 14.759 1.00 21.33 H new ATOM 0 HB2 GLU A 90 28.949 -9.021 14.338 1.00 54.14 H new ATOM 0 HB3 GLU A 90 28.905 -7.283 14.117 1.00 54.14 H new ATOM 0 HG2 GLU A 90 27.862 -7.129 16.471 1.00 63.23 H new ATOM 0 HG3 GLU A 90 28.235 -8.830 16.661 1.00 63.23 H new ATOM 955 N VAL A 91 27.108 -8.856 11.821 1.00 1.34 N ATOM 956 CA VAL A 91 26.932 -8.647 10.384 1.00 12.25 C ATOM 957 C VAL A 91 25.445 -8.515 10.042 1.00 13.04 C ATOM 958 O VAL A 91 25.070 -7.670 9.230 1.00 54.33 O ATOM 959 CB VAL A 91 27.666 -9.733 9.573 1.00 73.20 C ATOM 960 CG1 VAL A 91 27.102 -11.153 9.704 1.00 62.24 C ATOM 961 CG2 VAL A 91 27.753 -9.346 8.097 1.00 44.12 C ATOM 0 H VAL A 91 27.486 -9.770 12.071 1.00 1.34 H new ATOM 0 HA VAL A 91 27.396 -7.704 10.095 1.00 12.25 H new ATOM 0 HB VAL A 91 28.659 -9.773 10.020 1.00 73.20 H new ATOM 0 HG11 VAL A 91 27.692 -11.837 9.093 1.00 62.24 H new ATOM 0 HG12 VAL A 91 27.146 -11.467 10.747 1.00 62.24 H new ATOM 0 HG13 VAL A 91 26.066 -11.166 9.365 1.00 62.24 H new ATOM 0 HG21 VAL A 91 28.275 -10.128 7.546 1.00 44.12 H new ATOM 0 HG22 VAL A 91 26.748 -9.226 7.692 1.00 44.12 H new ATOM 0 HG23 VAL A 91 28.298 -8.407 7.999 1.00 44.12 H new ATOM 971 N LYS A 92 24.591 -9.296 10.707 1.00 71.12 N ATOM 972 CA LYS A 92 23.142 -9.192 10.649 1.00 52.32 C ATOM 973 C LYS A 92 22.732 -7.786 11.050 1.00 14.12 C ATOM 974 O LYS A 92 22.077 -7.133 10.243 1.00 32.04 O ATOM 975 CB LYS A 92 22.485 -10.305 11.488 1.00 73.24 C ATOM 976 CG LYS A 92 20.949 -10.249 11.502 1.00 4.44 C ATOM 977 CD LYS A 92 20.443 -9.590 12.788 1.00 53.51 C ATOM 978 CE LYS A 92 18.948 -9.306 12.712 1.00 50.42 C ATOM 979 NZ LYS A 92 18.475 -8.549 13.889 1.00 14.21 N1+ ATOM 0 H LYS A 92 24.908 -10.045 11.323 1.00 71.12 H new ATOM 0 HA LYS A 92 22.782 -9.350 9.632 1.00 52.32 H new ATOM 0 HB2 LYS A 92 22.800 -11.273 11.100 1.00 73.24 H new ATOM 0 HB3 LYS A 92 22.851 -10.238 12.513 1.00 73.24 H new ATOM 0 HG2 LYS A 92 20.593 -9.690 10.637 1.00 4.44 H new ATOM 0 HG3 LYS A 92 20.543 -11.257 11.420 1.00 4.44 H new ATOM 0 HD2 LYS A 92 20.649 -10.240 13.638 1.00 53.51 H new ATOM 0 HD3 LYS A 92 20.984 -8.659 12.960 1.00 53.51 H new ATOM 0 HE2 LYS A 92 18.730 -8.742 11.805 1.00 50.42 H new ATOM 0 HE3 LYS A 92 18.402 -10.247 12.641 1.00 50.42 H new ATOM 0 HZ1 LYS A 92 17.689 -7.928 13.609 1.00 14.21 H new ATOM 0 HZ2 LYS A 92 18.149 -9.213 14.620 1.00 14.21 H new ATOM 0 HZ3 LYS A 92 19.254 -7.973 14.267 1.00 14.21 H new ATOM 993 N ALA A 93 23.118 -7.309 12.243 1.00 42.12 N ATOM 994 CA ALA A 93 22.765 -5.964 12.695 1.00 34.13 C ATOM 995 C ALA A 93 23.199 -4.936 11.651 1.00 54.13 C ATOM 996 O ALA A 93 22.386 -4.124 11.209 1.00 61.10 O ATOM 997 CB ALA A 93 23.396 -5.657 14.059 1.00 23.45 C ATOM 0 H ALA A 93 23.676 -7.841 12.911 1.00 42.12 H new ATOM 0 HA ALA A 93 21.683 -5.910 12.814 1.00 34.13 H new ATOM 0 HB1 ALA A 93 23.117 -4.651 14.371 1.00 23.45 H new ATOM 0 HB2 ALA A 93 23.039 -6.377 14.795 1.00 23.45 H new ATOM 0 HB3 ALA A 93 24.481 -5.725 13.981 1.00 23.45 H new ATOM 1003 N ALA A 94 24.464 -4.998 11.218 1.00 61.20 N ATOM 1004 CA ALA A 94 25.015 -4.107 10.209 1.00 25.54 C ATOM 1005 C ALA A 94 24.166 -4.113 8.939 1.00 53.32 C ATOM 1006 O ALA A 94 23.887 -3.030 8.420 1.00 50.31 O ATOM 1007 CB ALA A 94 26.471 -4.480 9.903 1.00 1.44 C ATOM 0 H ALA A 94 25.137 -5.680 11.568 1.00 61.20 H new ATOM 0 HA ALA A 94 24.998 -3.092 10.607 1.00 25.54 H new ATOM 0 HB1 ALA A 94 26.868 -3.804 9.146 1.00 1.44 H new ATOM 0 HB2 ALA A 94 27.067 -4.397 10.812 1.00 1.44 H new ATOM 0 HB3 ALA A 94 26.514 -5.504 9.533 1.00 1.44 H new ATOM 1013 N TYR A 95 23.760 -5.295 8.452 1.00 22.33 N ATOM 1014 CA TYR A 95 22.932 -5.451 7.269 1.00 4.25 C ATOM 1015 C TYR A 95 21.589 -4.774 7.472 1.00 43.01 C ATOM 1016 O TYR A 95 21.298 -3.822 6.758 1.00 14.15 O ATOM 1017 CB TYR A 95 22.748 -6.927 6.885 1.00 1.21 C ATOM 1018 CG TYR A 95 21.781 -7.145 5.725 1.00 21.04 C ATOM 1019 CD1 TYR A 95 20.404 -7.318 5.975 1.00 1.42 C ATOM 1020 CD2 TYR A 95 22.239 -7.115 4.393 1.00 43.42 C ATOM 1021 CE1 TYR A 95 19.492 -7.411 4.909 1.00 4.14 C ATOM 1022 CE2 TYR A 95 21.332 -7.227 3.320 1.00 25.33 C ATOM 1023 CZ TYR A 95 19.952 -7.371 3.578 1.00 22.11 C ATOM 1024 OH TYR A 95 19.060 -7.524 2.564 1.00 24.04 O ATOM 0 H TYR A 95 24.009 -6.183 8.887 1.00 22.33 H new ATOM 0 HA TYR A 95 23.448 -4.967 6.440 1.00 4.25 H new ATOM 0 HB2 TYR A 95 23.718 -7.348 6.621 1.00 1.21 H new ATOM 0 HB3 TYR A 95 22.388 -7.477 7.754 1.00 1.21 H new ATOM 0 HD1 TYR A 95 20.047 -7.379 6.993 1.00 1.42 H new ATOM 0 HD2 TYR A 95 23.294 -7.005 4.192 1.00 43.42 H new ATOM 0 HE1 TYR A 95 18.436 -7.513 5.111 1.00 4.14 H new ATOM 0 HE2 TYR A 95 21.692 -7.203 2.302 1.00 25.33 H new ATOM 0 HH TYR A 95 19.529 -7.472 1.705 1.00 24.04 H new ATOM 1034 N GLU A 96 20.750 -5.238 8.397 1.00 50.51 N ATOM 1035 CA GLU A 96 19.367 -4.759 8.474 1.00 43.11 C ATOM 1036 C GLU A 96 19.296 -3.271 8.782 1.00 42.11 C ATOM 1037 O GLU A 96 18.448 -2.543 8.255 1.00 22.21 O ATOM 1038 CB GLU A 96 18.550 -5.551 9.488 1.00 3.55 C ATOM 1039 CG GLU A 96 19.269 -6.108 10.720 1.00 24.43 C ATOM 1040 CD GLU A 96 18.351 -6.167 11.938 1.00 4.14 C ATOM 1041 OE1 GLU A 96 17.299 -6.841 11.843 1.00 13.13 O1- ATOM 1042 OE2 GLU A 96 18.711 -5.671 13.026 1.00 3.14 O ATOM 0 H GLU A 96 20.998 -5.937 9.097 1.00 50.51 H new ATOM 0 HA GLU A 96 18.930 -4.918 7.488 1.00 43.11 H new ATOM 0 HB2 GLU A 96 17.740 -4.910 9.837 1.00 3.55 H new ATOM 0 HB3 GLU A 96 18.090 -6.389 8.964 1.00 3.55 H new ATOM 0 HG2 GLU A 96 19.645 -7.107 10.500 1.00 24.43 H new ATOM 0 HG3 GLU A 96 20.134 -5.485 10.948 1.00 24.43 H new ATOM 1049 N ALA A 97 20.242 -2.829 9.598 1.00 5.23 N ATOM 1050 CA ALA A 97 20.518 -1.416 9.804 1.00 33.23 C ATOM 1051 C ALA A 97 20.776 -0.703 8.473 1.00 43.41 C ATOM 1052 O ALA A 97 20.027 0.205 8.120 1.00 61.42 O ATOM 1053 CB ALA A 97 21.663 -1.209 10.783 1.00 32.21 C ATOM 0 H ALA A 97 20.845 -3.448 10.140 1.00 5.23 H new ATOM 0 HA ALA A 97 19.630 -0.967 10.249 1.00 33.23 H new ATOM 0 HB1 ALA A 97 21.842 -0.142 10.913 1.00 32.21 H new ATOM 0 HB2 ALA A 97 21.405 -1.654 11.744 1.00 32.21 H new ATOM 0 HB3 ALA A 97 22.564 -1.683 10.394 1.00 32.21 H new ATOM 1059 N ALA A 98 21.815 -1.092 7.729 1.00 2.05 N ATOM 1060 CA ALA A 98 22.194 -0.464 6.466 1.00 52.44 C ATOM 1061 C ALA A 98 21.085 -0.550 5.412 1.00 34.15 C ATOM 1062 O ALA A 98 20.918 0.390 4.639 1.00 64.11 O ATOM 1063 CB ALA A 98 23.482 -1.101 5.936 1.00 54.43 C ATOM 0 H ALA A 98 22.425 -1.865 7.994 1.00 2.05 H new ATOM 0 HA ALA A 98 22.361 0.595 6.665 1.00 52.44 H new ATOM 0 HB1 ALA A 98 23.760 -0.629 4.994 1.00 54.43 H new ATOM 0 HB2 ALA A 98 24.283 -0.961 6.662 1.00 54.43 H new ATOM 0 HB3 ALA A 98 23.321 -2.167 5.774 1.00 54.43 H new ATOM 1069 N PHE A 99 20.330 -1.649 5.379 1.00 44.13 N ATOM 1070 CA PHE A 99 19.217 -1.874 4.470 1.00 54.21 C ATOM 1071 C PHE A 99 18.157 -0.816 4.744 1.00 4.25 C ATOM 1072 O PHE A 99 17.820 -0.035 3.857 1.00 2.23 O ATOM 1073 CB PHE A 99 18.673 -3.303 4.660 1.00 64.34 C ATOM 1074 CG PHE A 99 17.336 -3.567 3.991 1.00 33.13 C ATOM 1075 CD1 PHE A 99 17.277 -3.914 2.628 1.00 23.14 C ATOM 1076 CD2 PHE A 99 16.138 -3.440 4.727 1.00 21.21 C ATOM 1077 CE1 PHE A 99 16.031 -4.127 2.010 1.00 54.31 C ATOM 1078 CE2 PHE A 99 14.896 -3.661 4.107 1.00 22.32 C ATOM 1079 CZ PHE A 99 14.842 -4.004 2.747 1.00 52.43 C ATOM 0 H PHE A 99 20.487 -2.434 6.011 1.00 44.13 H new ATOM 0 HA PHE A 99 19.535 -1.787 3.431 1.00 54.21 H new ATOM 0 HB2 PHE A 99 19.405 -4.011 4.270 1.00 64.34 H new ATOM 0 HB3 PHE A 99 18.575 -3.501 5.727 1.00 64.34 H new ATOM 0 HD1 PHE A 99 18.188 -4.017 2.057 1.00 23.14 H new ATOM 0 HD2 PHE A 99 16.176 -3.172 5.772 1.00 21.21 H new ATOM 0 HE1 PHE A 99 15.989 -4.387 0.963 1.00 54.31 H new ATOM 0 HE2 PHE A 99 13.983 -3.567 4.677 1.00 22.32 H new ATOM 0 HZ PHE A 99 13.889 -4.173 2.269 1.00 52.43 H new ATOM 1089 N ASN A 100 17.652 -0.752 5.984 1.00 53.41 N ATOM 1090 CA ASN A 100 16.616 0.212 6.315 1.00 65.20 C ATOM 1091 C ASN A 100 17.127 1.639 6.220 1.00 13.12 C ATOM 1092 O ASN A 100 16.379 2.496 5.769 1.00 31.14 O ATOM 1093 CB ASN A 100 15.966 -0.054 7.670 1.00 62.02 C ATOM 1094 CG ASN A 100 16.628 0.575 8.890 1.00 33.24 C ATOM 1095 OD1 ASN A 100 16.462 1.753 9.189 1.00 23.35 O ATOM 1096 ND2 ASN A 100 17.376 -0.220 9.630 1.00 22.41 N ATOM 0 H ASN A 100 17.944 -1.350 6.757 1.00 53.41 H new ATOM 0 HA ASN A 100 15.835 0.084 5.566 1.00 65.20 H new ATOM 0 HB2 ASN A 100 14.935 0.296 7.626 1.00 62.02 H new ATOM 0 HB3 ASN A 100 15.930 -1.133 7.823 1.00 62.02 H new ATOM 0 HD21 ASN A 100 17.830 0.142 10.469 1.00 22.41 H new ATOM 0 HD22 ASN A 100 17.501 -1.197 9.363 1.00 22.41 H new ATOM 1103 N ASN A 101 18.390 1.886 6.569 1.00 10.25 N ATOM 1104 CA ASN A 101 19.035 3.179 6.418 1.00 42.34 C ATOM 1105 C ASN A 101 18.964 3.628 4.958 1.00 24.31 C ATOM 1106 O ASN A 101 18.443 4.708 4.689 1.00 50.12 O ATOM 1107 CB ASN A 101 20.476 3.111 6.939 1.00 72.24 C ATOM 1108 CG ASN A 101 21.321 4.289 6.479 1.00 1.03 C ATOM 1109 OD1 ASN A 101 21.405 5.323 7.132 1.00 10.21 O ATOM 1110 ND2 ASN A 101 22.025 4.138 5.374 1.00 11.13 N ATOM 0 H ASN A 101 19.000 1.175 6.972 1.00 10.25 H new ATOM 0 HA ASN A 101 18.511 3.926 7.014 1.00 42.34 H new ATOM 0 HB2 ASN A 101 20.463 3.081 8.029 1.00 72.24 H new ATOM 0 HB3 ASN A 101 20.937 2.183 6.600 1.00 72.24 H new ATOM 0 HD21 ASN A 101 22.644 4.884 5.058 1.00 11.13 H new ATOM 0 HD22 ASN A 101 21.950 3.275 4.836 1.00 11.13 H new ATOM 1117 N ALA A 102 19.447 2.794 4.027 1.00 43.33 N ATOM 1118 CA ALA A 102 19.430 3.089 2.601 1.00 14.05 C ATOM 1119 C ALA A 102 17.994 3.299 2.141 1.00 33.33 C ATOM 1120 O ALA A 102 17.669 4.375 1.647 1.00 13.32 O ATOM 1121 CB ALA A 102 20.097 1.967 1.792 1.00 14.33 C ATOM 0 H ALA A 102 19.862 1.890 4.252 1.00 43.33 H new ATOM 0 HA ALA A 102 20.001 4.002 2.429 1.00 14.05 H new ATOM 0 HB1 ALA A 102 20.068 2.217 0.731 1.00 14.33 H new ATOM 0 HB2 ALA A 102 21.133 1.855 2.111 1.00 14.33 H new ATOM 0 HB3 ALA A 102 19.563 1.031 1.959 1.00 14.33 H new ATOM 1127 N PHE A 103 17.142 2.280 2.303 1.00 42.11 N ATOM 1128 CA PHE A 103 15.785 2.271 1.771 1.00 61.53 C ATOM 1129 C PHE A 103 14.995 3.461 2.307 1.00 53.43 C ATOM 1130 O PHE A 103 14.343 4.162 1.535 1.00 63.21 O ATOM 1131 CB PHE A 103 15.088 0.932 2.062 1.00 32.33 C ATOM 1132 CG PHE A 103 13.856 0.708 1.199 1.00 62.32 C ATOM 1133 CD1 PHE A 103 12.647 1.361 1.506 1.00 52.11 C ATOM 1134 CD2 PHE A 103 13.928 -0.120 0.062 1.00 24.11 C ATOM 1135 CE1 PHE A 103 11.519 1.196 0.680 1.00 64.04 C ATOM 1136 CE2 PHE A 103 12.806 -0.271 -0.771 1.00 21.23 C ATOM 1137 CZ PHE A 103 11.606 0.390 -0.466 1.00 50.53 C ATOM 0 H PHE A 103 17.384 1.431 2.814 1.00 42.11 H new ATOM 0 HA PHE A 103 15.833 2.373 0.687 1.00 61.53 H new ATOM 0 HB2 PHE A 103 15.794 0.117 1.898 1.00 32.33 H new ATOM 0 HB3 PHE A 103 14.801 0.898 3.113 1.00 32.33 H new ATOM 0 HD1 PHE A 103 12.585 1.992 2.380 1.00 52.11 H new ATOM 0 HD2 PHE A 103 14.846 -0.639 -0.170 1.00 24.11 H new ATOM 0 HE1 PHE A 103 10.590 1.688 0.927 1.00 64.04 H new ATOM 0 HE2 PHE A 103 12.867 -0.898 -1.648 1.00 21.23 H new ATOM 0 HZ PHE A 103 10.749 0.278 -1.114 1.00 50.53 H new ATOM 1147 N ASN A 104 15.067 3.726 3.616 1.00 62.10 N ATOM 1148 CA ASN A 104 14.444 4.901 4.212 1.00 70.33 C ATOM 1149 C ASN A 104 14.971 6.169 3.557 1.00 50.20 C ATOM 1150 O ASN A 104 14.164 7.015 3.180 1.00 24.32 O ATOM 1151 CB ASN A 104 14.670 5.003 5.733 1.00 52.12 C ATOM 1152 CG ASN A 104 14.201 6.364 6.227 1.00 4.04 C ATOM 1153 OD1 ASN A 104 14.976 7.184 6.710 1.00 5.05 O ATOM 1154 ND2 ASN A 104 12.941 6.687 6.015 1.00 73.53 N ATOM 0 H ASN A 104 15.557 3.132 4.285 1.00 62.10 H new ATOM 0 HA ASN A 104 13.373 4.792 4.040 1.00 70.33 H new ATOM 0 HB2 ASN A 104 14.125 4.211 6.246 1.00 52.12 H new ATOM 0 HB3 ASN A 104 15.726 4.865 5.964 1.00 52.12 H new ATOM 0 HD21 ASN A 104 12.607 7.621 6.252 1.00 73.53 H new ATOM 0 HD22 ASN A 104 12.300 6.003 5.613 1.00 73.53 H new ATOM 1161 N ALA A 105 16.290 6.332 3.452 1.00 33.44 N ATOM 1162 CA ALA A 105 16.873 7.564 2.963 1.00 44.11 C ATOM 1163 C ALA A 105 16.436 7.854 1.526 1.00 70.21 C ATOM 1164 O ALA A 105 16.013 8.984 1.250 1.00 52.44 O ATOM 1165 CB ALA A 105 18.396 7.506 3.068 1.00 13.23 C ATOM 0 H ALA A 105 16.972 5.616 3.703 1.00 33.44 H new ATOM 0 HA ALA A 105 16.512 8.382 3.586 1.00 44.11 H new ATOM 0 HB1 ALA A 105 18.822 8.438 2.697 1.00 13.23 H new ATOM 0 HB2 ALA A 105 18.684 7.365 4.110 1.00 13.23 H new ATOM 0 HB3 ALA A 105 18.770 6.674 2.472 1.00 13.23 H new ATOM 1171 N VAL A 106 16.536 6.879 0.611 1.00 64.14 N ATOM 1172 CA VAL A 106 16.104 7.081 -0.773 1.00 21.53 C ATOM 1173 C VAL A 106 14.617 7.435 -0.800 1.00 62.21 C ATOM 1174 O VAL A 106 14.236 8.443 -1.392 1.00 3.13 O ATOM 1175 CB VAL A 106 16.515 5.902 -1.690 1.00 53.20 C ATOM 1176 CG1 VAL A 106 15.984 4.528 -1.281 1.00 23.31 C ATOM 1177 CG2 VAL A 106 16.134 6.165 -3.149 1.00 61.22 C ATOM 0 H VAL A 106 16.910 5.950 0.806 1.00 64.14 H new ATOM 0 HA VAL A 106 16.631 7.934 -1.202 1.00 21.53 H new ATOM 0 HB VAL A 106 17.598 5.859 -1.572 1.00 53.20 H new ATOM 0 HG11 VAL A 106 16.332 3.777 -1.991 1.00 23.31 H new ATOM 0 HG12 VAL A 106 16.347 4.280 -0.284 1.00 23.31 H new ATOM 0 HG13 VAL A 106 14.894 4.546 -1.277 1.00 23.31 H new ATOM 0 HG21 VAL A 106 16.438 5.317 -3.763 1.00 61.22 H new ATOM 0 HG22 VAL A 106 15.055 6.300 -3.225 1.00 61.22 H new ATOM 0 HG23 VAL A 106 16.638 7.066 -3.500 1.00 61.22 H new ATOM 1187 N ARG A 107 13.778 6.673 -0.088 1.00 42.42 N ATOM 1188 CA ARG A 107 12.337 6.904 -0.028 1.00 25.12 C ATOM 1189 C ARG A 107 12.045 8.307 0.488 1.00 5.33 C ATOM 1190 O ARG A 107 11.268 9.013 -0.154 1.00 10.14 O ATOM 1191 CB ARG A 107 11.688 5.760 0.771 1.00 53.00 C ATOM 1192 CG ARG A 107 10.344 5.965 1.476 1.00 52.40 C ATOM 1193 CD ARG A 107 9.662 4.605 1.681 1.00 64.14 C ATOM 1194 NE ARG A 107 10.329 3.792 2.718 1.00 14.21 N ATOM 1195 CZ ARG A 107 10.084 3.834 4.035 1.00 42.24 C ATOM 1196 NH1 ARG A 107 9.212 4.703 4.523 1.00 33.13 N1+ ATOM 1197 NH2 ARG A 107 10.735 3.026 4.863 1.00 24.13 N ATOM 0 H ARG A 107 14.086 5.874 0.465 1.00 42.42 H new ATOM 0 HA ARG A 107 11.884 6.880 -1.019 1.00 25.12 H new ATOM 0 HB2 ARG A 107 11.567 4.919 0.088 1.00 53.00 H new ATOM 0 HB3 ARG A 107 12.406 5.452 1.531 1.00 53.00 H new ATOM 0 HG2 ARG A 107 10.496 6.456 2.437 1.00 52.40 H new ATOM 0 HG3 ARG A 107 9.705 6.618 0.882 1.00 52.40 H new ATOM 0 HD2 ARG A 107 8.620 4.762 1.961 1.00 64.14 H new ATOM 0 HD3 ARG A 107 9.660 4.057 0.739 1.00 64.14 H new ATOM 0 HE ARG A 107 11.044 3.137 2.402 1.00 14.21 H new ATOM 0 HH11 ARG A 107 8.724 5.343 3.896 1.00 33.13 H new ATOM 0 HH12 ARG A 107 9.028 4.732 5.526 1.00 33.13 H new ATOM 0 HH21 ARG A 107 11.425 2.370 4.498 1.00 24.13 H new ATOM 0 HH22 ARG A 107 10.545 3.062 5.865 1.00 24.13 H new ATOM 1211 N ASN A 108 12.697 8.743 1.570 1.00 2.11 N ATOM 1212 CA ASN A 108 12.481 10.063 2.153 1.00 2.41 C ATOM 1213 C ASN A 108 12.834 11.161 1.161 1.00 12.43 C ATOM 1214 O ASN A 108 12.078 12.115 1.001 1.00 45.23 O ATOM 1215 CB ASN A 108 13.300 10.289 3.443 1.00 63.10 C ATOM 1216 CG ASN A 108 13.408 11.770 3.832 1.00 2.13 C ATOM 1217 OD1 ASN A 108 12.496 12.339 4.419 1.00 25.25 O ATOM 1218 ND2 ASN A 108 14.530 12.426 3.579 1.00 64.43 N ATOM 0 H ASN A 108 13.392 8.185 2.066 1.00 2.11 H new ATOM 0 HA ASN A 108 11.421 10.106 2.405 1.00 2.41 H new ATOM 0 HB2 ASN A 108 12.838 9.737 4.261 1.00 63.10 H new ATOM 0 HB3 ASN A 108 14.301 9.880 3.307 1.00 63.10 H new ATOM 0 HD21 ASN A 108 14.630 13.398 3.873 1.00 64.43 H new ATOM 0 HD22 ASN A 108 15.294 11.960 3.091 1.00 64.43 H new ATOM 1225 N LYS A 109 14.002 11.082 0.521 1.00 51.04 N ATOM 1226 CA LYS A 109 14.405 12.120 -0.415 1.00 31.53 C ATOM 1227 C LYS A 109 13.416 12.155 -1.578 1.00 22.23 C ATOM 1228 O LYS A 109 12.941 13.236 -1.931 1.00 64.34 O ATOM 1229 CB LYS A 109 15.840 11.853 -0.867 1.00 4.15 C ATOM 1230 CG LYS A 109 16.335 12.930 -1.843 1.00 70.30 C ATOM 1231 CD LYS A 109 17.158 12.320 -2.971 1.00 2.24 C ATOM 1232 CE LYS A 109 18.602 12.082 -2.534 1.00 21.12 C ATOM 1233 NZ LYS A 109 19.453 11.800 -3.697 1.00 74.23 N1+ ATOM 0 H LYS A 109 14.672 10.321 0.634 1.00 51.04 H new ATOM 0 HA LYS A 109 14.389 13.103 0.055 1.00 31.53 H new ATOM 0 HB2 LYS A 109 16.496 11.820 0.003 1.00 4.15 H new ATOM 0 HB3 LYS A 109 15.896 10.875 -1.345 1.00 4.15 H new ATOM 0 HG2 LYS A 109 15.482 13.465 -2.261 1.00 70.30 H new ATOM 0 HG3 LYS A 109 16.938 13.662 -1.305 1.00 70.30 H new ATOM 0 HD2 LYS A 109 16.709 11.377 -3.283 1.00 2.24 H new ATOM 0 HD3 LYS A 109 17.142 12.983 -3.836 1.00 2.24 H new ATOM 0 HE2 LYS A 109 18.977 12.959 -2.006 1.00 21.12 H new ATOM 0 HE3 LYS A 109 18.643 11.247 -1.835 1.00 21.12 H new ATOM 0 HZ1 LYS A 109 20.431 11.641 -3.381 1.00 74.23 H new ATOM 0 HZ2 LYS A 109 19.104 10.950 -4.185 1.00 74.23 H new ATOM 0 HZ3 LYS A 109 19.428 12.609 -4.350 1.00 74.23 H new ATOM 1247 N TYR A 110 13.087 10.988 -2.131 1.00 10.22 N ATOM 1248 CA TYR A 110 12.211 10.866 -3.280 1.00 54.32 C ATOM 1249 C TYR A 110 10.837 11.461 -2.956 1.00 62.40 C ATOM 1250 O TYR A 110 10.346 12.271 -3.743 1.00 30.42 O ATOM 1251 CB TYR A 110 12.150 9.404 -3.760 1.00 11.04 C ATOM 1252 CG TYR A 110 13.357 8.864 -4.537 1.00 3.45 C ATOM 1253 CD1 TYR A 110 14.637 9.452 -4.467 1.00 22.51 C ATOM 1254 CD2 TYR A 110 13.189 7.732 -5.356 1.00 63.43 C ATOM 1255 CE1 TYR A 110 15.718 8.930 -5.203 1.00 4.05 C ATOM 1256 CE2 TYR A 110 14.259 7.201 -6.099 1.00 21.51 C ATOM 1257 CZ TYR A 110 15.533 7.800 -6.024 1.00 71.21 C ATOM 1258 OH TYR A 110 16.580 7.291 -6.727 1.00 63.43 O ATOM 0 H TYR A 110 13.430 10.092 -1.783 1.00 10.22 H new ATOM 0 HA TYR A 110 12.612 11.441 -4.115 1.00 54.32 H new ATOM 0 HB2 TYR A 110 12.000 8.769 -2.887 1.00 11.04 H new ATOM 0 HB3 TYR A 110 11.267 9.293 -4.390 1.00 11.04 H new ATOM 0 HD1 TYR A 110 14.791 10.317 -3.839 1.00 22.51 H new ATOM 0 HD2 TYR A 110 12.219 7.261 -5.415 1.00 63.43 H new ATOM 0 HE1 TYR A 110 16.690 9.396 -5.138 1.00 4.05 H new ATOM 0 HE2 TYR A 110 14.105 6.335 -6.726 1.00 21.51 H new ATOM 0 HH TYR A 110 16.281 6.512 -7.241 1.00 63.43 H new ATOM 1268 N VAL A 111 10.225 11.139 -1.804 1.00 32.24 N ATOM 1269 CA VAL A 111 8.955 11.762 -1.430 1.00 74.14 C ATOM 1270 C VAL A 111 9.124 13.261 -1.243 1.00 34.22 C ATOM 1271 O VAL A 111 8.291 14.014 -1.737 1.00 22.31 O ATOM 1272 CB VAL A 111 8.285 11.117 -0.203 1.00 74.50 C ATOM 1273 CG1 VAL A 111 9.042 11.182 1.124 1.00 52.01 C ATOM 1274 CG2 VAL A 111 6.922 11.771 0.043 1.00 14.05 C ATOM 0 H VAL A 111 10.585 10.463 -1.130 1.00 32.24 H new ATOM 0 HA VAL A 111 8.274 11.585 -2.262 1.00 74.14 H new ATOM 0 HB VAL A 111 8.237 10.063 -0.478 1.00 74.50 H new ATOM 0 HG11 VAL A 111 8.457 10.691 1.901 1.00 52.01 H new ATOM 0 HG12 VAL A 111 10.003 10.678 1.020 1.00 52.01 H new ATOM 0 HG13 VAL A 111 9.207 12.224 1.398 1.00 52.01 H new ATOM 0 HG21 VAL A 111 6.450 11.313 0.912 1.00 14.05 H new ATOM 0 HG22 VAL A 111 7.057 12.837 0.224 1.00 14.05 H new ATOM 0 HG23 VAL A 111 6.287 11.629 -0.832 1.00 14.05 H new ATOM 1284 N GLN A 112 10.163 13.709 -0.537 1.00 13.13 N ATOM 1285 CA GLN A 112 10.346 15.125 -0.260 1.00 53.41 C ATOM 1286 C GLN A 112 10.416 15.907 -1.571 1.00 70.34 C ATOM 1287 O GLN A 112 9.650 16.850 -1.748 1.00 11.22 O ATOM 1288 CB GLN A 112 11.563 15.350 0.654 1.00 43.21 C ATOM 1289 CG GLN A 112 11.236 14.977 2.115 1.00 25.35 C ATOM 1290 CD GLN A 112 10.225 15.941 2.736 1.00 3.24 C ATOM 1291 OE1 GLN A 112 9.079 15.583 2.974 1.00 62.33 O ATOM 1292 NE2 GLN A 112 10.568 17.206 2.937 1.00 72.52 N ATOM 0 H GLN A 112 10.889 13.107 -0.148 1.00 13.13 H new ATOM 0 HA GLN A 112 9.486 15.507 0.290 1.00 53.41 H new ATOM 0 HB2 GLN A 112 12.402 14.751 0.301 1.00 43.21 H new ATOM 0 HB3 GLN A 112 11.873 16.394 0.602 1.00 43.21 H new ATOM 0 HG2 GLN A 112 10.840 13.962 2.151 1.00 25.35 H new ATOM 0 HG3 GLN A 112 12.152 14.982 2.705 1.00 25.35 H new ATOM 0 HE21 GLN A 112 11.521 17.513 2.741 1.00 72.52 H new ATOM 0 HE22 GLN A 112 9.879 17.872 3.287 1.00 72.52 H new ATOM 1301 N ARG A 113 11.256 15.492 -2.526 1.00 21.12 N ATOM 1302 CA ARG A 113 11.281 16.119 -3.845 1.00 53.41 C ATOM 1303 C ARG A 113 9.942 15.987 -4.579 1.00 51.24 C ATOM 1304 O ARG A 113 9.560 16.942 -5.254 1.00 1.23 O ATOM 1305 CB ARG A 113 12.453 15.587 -4.693 1.00 33.11 C ATOM 1306 CG ARG A 113 13.768 16.284 -4.294 1.00 51.14 C ATOM 1307 CD ARG A 113 15.010 15.877 -5.102 1.00 21.52 C ATOM 1308 NE ARG A 113 14.787 15.953 -6.557 1.00 3.13 N ATOM 1309 CZ ARG A 113 15.294 15.116 -7.473 1.00 54.24 C ATOM 1310 NH1 ARG A 113 16.241 14.239 -7.161 1.00 24.24 N1+ ATOM 1311 NH2 ARG A 113 14.847 15.153 -8.723 1.00 11.15 N ATOM 0 H ARG A 113 11.922 14.729 -2.408 1.00 21.12 H new ATOM 0 HA ARG A 113 11.443 17.186 -3.689 1.00 53.41 H new ATOM 0 HB2 ARG A 113 12.549 14.510 -4.556 1.00 33.11 H new ATOM 0 HB3 ARG A 113 12.251 15.757 -5.751 1.00 33.11 H new ATOM 0 HG2 ARG A 113 13.631 17.361 -4.391 1.00 51.14 H new ATOM 0 HG3 ARG A 113 13.960 16.081 -3.240 1.00 51.14 H new ATOM 0 HD2 ARG A 113 15.844 16.525 -4.831 1.00 21.52 H new ATOM 0 HD3 ARG A 113 15.296 14.860 -4.834 1.00 21.52 H new ATOM 0 HE ARG A 113 14.194 16.710 -6.897 1.00 3.13 H new ATOM 0 HH11 ARG A 113 16.598 14.192 -6.207 1.00 24.24 H new ATOM 0 HH12 ARG A 113 16.611 13.612 -7.876 1.00 24.24 H new ATOM 0 HH21 ARG A 113 14.119 15.818 -8.985 1.00 11.15 H new ATOM 0 HH22 ARG A 113 15.232 14.517 -9.421 1.00 11.15 H new ATOM 1325 N PHE A 114 9.226 14.865 -4.481 1.00 31.11 N ATOM 1326 CA PHE A 114 7.918 14.693 -5.101 1.00 52.42 C ATOM 1327 C PHE A 114 6.885 15.637 -4.488 1.00 45.01 C ATOM 1328 O PHE A 114 6.457 16.561 -5.167 1.00 74.10 O ATOM 1329 CB PHE A 114 7.479 13.225 -5.028 1.00 62.53 C ATOM 1330 CG PHE A 114 6.111 12.907 -5.617 1.00 12.01 C ATOM 1331 CD1 PHE A 114 5.736 13.429 -6.870 1.00 42.13 C ATOM 1332 CD2 PHE A 114 5.249 11.998 -4.967 1.00 25.51 C ATOM 1333 CE1 PHE A 114 4.524 13.042 -7.467 1.00 10.02 C ATOM 1334 CE2 PHE A 114 4.049 11.590 -5.583 1.00 73.01 C ATOM 1335 CZ PHE A 114 3.679 12.125 -6.826 1.00 32.31 C ATOM 0 H PHE A 114 9.544 14.045 -3.964 1.00 31.11 H new ATOM 0 HA PHE A 114 7.996 14.960 -6.155 1.00 52.42 H new ATOM 0 HB2 PHE A 114 8.224 12.618 -5.542 1.00 62.53 H new ATOM 0 HB3 PHE A 114 7.483 12.917 -3.982 1.00 62.53 H new ATOM 0 HD1 PHE A 114 6.383 14.131 -7.375 1.00 42.13 H new ATOM 0 HD2 PHE A 114 5.510 11.613 -3.992 1.00 25.51 H new ATOM 0 HE1 PHE A 114 4.242 13.453 -8.425 1.00 10.02 H new ATOM 0 HE2 PHE A 114 3.413 10.864 -5.097 1.00 73.01 H new ATOM 0 HZ PHE A 114 2.747 11.832 -7.287 1.00 32.31 H new ATOM 1345 N GLN A 115 6.462 15.454 -3.237 1.00 12.11 N ATOM 1346 CA GLN A 115 5.383 16.210 -2.645 1.00 65.43 C ATOM 1347 C GLN A 115 5.720 17.698 -2.594 1.00 11.03 C ATOM 1348 O GLN A 115 4.832 18.525 -2.812 1.00 70.53 O ATOM 1349 CB GLN A 115 5.066 15.520 -1.313 1.00 12.15 C ATOM 1350 CG GLN A 115 4.127 16.338 -0.439 1.00 22.12 C ATOM 1351 CD GLN A 115 3.391 15.533 0.637 1.00 70.54 C ATOM 1352 OE1 GLN A 115 2.190 15.668 0.818 1.00 54.52 O ATOM 1353 NE2 GLN A 115 4.060 14.688 1.402 1.00 1.15 N ATOM 0 H GLN A 115 6.871 14.765 -2.606 1.00 12.11 H new ATOM 0 HA GLN A 115 4.468 16.208 -3.237 1.00 65.43 H new ATOM 0 HB2 GLN A 115 4.617 14.547 -1.510 1.00 12.15 H new ATOM 0 HB3 GLN A 115 5.995 15.339 -0.772 1.00 12.15 H new ATOM 0 HG2 GLN A 115 4.700 17.128 0.046 1.00 22.12 H new ATOM 0 HG3 GLN A 115 3.390 16.825 -1.077 1.00 22.12 H new ATOM 0 HE21 GLN A 115 5.063 14.562 1.266 1.00 1.15 H new ATOM 0 HE22 GLN A 115 3.573 14.162 2.128 1.00 1.15 H new