USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=5 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 108 ASN : amide:sc= 0 X(o=-0.45,f=0) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.0068) USER MOD Single : A 53 TYR OH : rot -8:sc= 0.07 USER MOD Single : A 56 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0011) USER MOD Single : A 57 HIS : no HD1:sc= 0.436 K(o=0.44,f=-3.4!) 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=-0.00142 X(o=-0.0014,f=0) USER MOD Single : A 87 ASN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot -90:sc= 0.253 USER MOD Single : A 100 ASN : amide:sc= 0.558 K(o=0.56,f=-0.14) USER MOD Single : A 101 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 104 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 -105:sc= 0.919 USER MOD Single : A 115 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 393 N VAL A 50 1.862 10.007 -2.080 1.00 23.23 N ATOM 394 CA VAL A 50 3.175 9.531 -1.726 1.00 34.32 C ATOM 395 C VAL A 50 3.187 8.027 -1.981 1.00 71.14 C ATOM 396 O VAL A 50 3.979 7.589 -2.814 1.00 32.24 O ATOM 397 CB VAL A 50 3.502 9.930 -0.273 1.00 21.33 C ATOM 398 CG1 VAL A 50 4.808 9.280 0.186 1.00 3.33 C ATOM 399 CG2 VAL A 50 3.584 11.458 -0.134 1.00 24.25 C ATOM 0 HA VAL A 50 3.962 9.983 -2.329 1.00 34.32 H new ATOM 0 HB VAL A 50 2.696 9.570 0.367 1.00 21.33 H new ATOM 0 HG11 VAL A 50 5.020 9.575 1.214 1.00 3.33 H new ATOM 0 HG12 VAL A 50 4.713 8.195 0.132 1.00 3.33 H new ATOM 0 HG13 VAL A 50 5.623 9.606 -0.460 1.00 3.33 H new ATOM 0 HG21 VAL A 50 3.816 11.717 0.899 1.00 24.25 H new ATOM 0 HG22 VAL A 50 4.367 11.841 -0.789 1.00 24.25 H new ATOM 0 HG23 VAL A 50 2.628 11.901 -0.414 1.00 24.25 H new ATOM 409 N ASN A 51 2.356 7.242 -1.286 1.00 22.13 N ATOM 410 CA ASN A 51 2.456 5.795 -1.275 1.00 71.23 C ATOM 411 C ASN A 51 2.328 5.185 -2.660 1.00 54.40 C ATOM 412 O ASN A 51 2.996 4.203 -2.953 1.00 43.12 O ATOM 413 CB ASN A 51 1.476 5.176 -0.267 1.00 32.54 C ATOM 414 CG ASN A 51 -0.035 5.353 -0.447 1.00 51.40 C ATOM 415 OD1 ASN A 51 -0.704 5.676 0.523 1.00 31.34 O ATOM 416 ND2 ASN A 51 -0.623 5.106 -1.610 1.00 31.52 N ATOM 0 H ASN A 51 1.593 7.605 -0.714 1.00 22.13 H new ATOM 0 HA ASN A 51 3.464 5.549 -0.940 1.00 71.23 H new ATOM 0 HB2 ASN A 51 1.674 4.104 -0.241 1.00 32.54 H new ATOM 0 HB3 ASN A 51 1.732 5.571 0.716 1.00 32.54 H new ATOM 0 HD21 ASN A 51 -1.636 5.186 -1.696 1.00 31.52 H new ATOM 0 HD22 ASN A 51 -0.062 4.837 -2.418 1.00 31.52 H new ATOM 423 N GLU A 52 1.537 5.788 -3.542 1.00 43.01 N ATOM 424 CA GLU A 52 1.448 5.331 -4.929 1.00 41.11 C ATOM 425 C GLU A 52 2.791 5.514 -5.641 1.00 21.53 C ATOM 426 O GLU A 52 3.296 4.565 -6.242 1.00 23.32 O ATOM 427 CB GLU A 52 0.324 6.057 -5.681 1.00 32.33 C ATOM 428 CG GLU A 52 -1.004 5.292 -5.597 1.00 71.30 C ATOM 429 CD GLU A 52 -0.965 3.957 -6.363 1.00 14.04 C ATOM 430 OE1 GLU A 52 -0.802 3.966 -7.602 1.00 41.00 O ATOM 431 OE2 GLU A 52 -1.048 2.875 -5.736 1.00 22.22 O1- ATOM 0 H GLU A 52 0.949 6.592 -3.324 1.00 43.01 H new ATOM 0 HA GLU A 52 1.206 4.268 -4.921 1.00 41.11 H new ATOM 0 HB2 GLU A 52 0.195 7.056 -5.265 1.00 32.33 H new ATOM 0 HB3 GLU A 52 0.607 6.181 -6.726 1.00 32.33 H new ATOM 0 HG2 GLU A 52 -1.244 5.100 -4.551 1.00 71.30 H new ATOM 0 HG3 GLU A 52 -1.804 5.914 -5.998 1.00 71.30 H new ATOM 438 N TYR A 53 3.400 6.704 -5.570 1.00 5.45 N ATOM 439 CA TYR A 53 4.718 6.940 -6.155 1.00 53.40 C ATOM 440 C TYR A 53 5.725 5.937 -5.583 1.00 32.24 C ATOM 441 O TYR A 53 6.432 5.282 -6.345 1.00 70.30 O ATOM 442 CB TYR A 53 5.144 8.397 -5.920 1.00 5.13 C ATOM 443 CG TYR A 53 6.463 8.823 -6.551 1.00 10.33 C ATOM 444 CD1 TYR A 53 7.684 8.490 -5.933 1.00 44.02 C ATOM 445 CD2 TYR A 53 6.471 9.629 -7.708 1.00 61.40 C ATOM 446 CE1 TYR A 53 8.893 9.024 -6.418 1.00 4.23 C ATOM 447 CE2 TYR A 53 7.683 10.130 -8.222 1.00 50.11 C ATOM 448 CZ TYR A 53 8.900 9.846 -7.564 1.00 10.25 C ATOM 449 OH TYR A 53 10.073 10.393 -7.982 1.00 72.23 O ATOM 0 H TYR A 53 2.995 7.520 -5.110 1.00 5.45 H new ATOM 0 HA TYR A 53 4.680 6.786 -7.233 1.00 53.40 H new ATOM 0 HB2 TYR A 53 4.357 9.049 -6.299 1.00 5.13 H new ATOM 0 HB3 TYR A 53 5.208 8.566 -4.845 1.00 5.13 H new ATOM 0 HD1 TYR A 53 7.693 7.823 -5.084 1.00 44.02 H new ATOM 0 HD2 TYR A 53 5.541 9.864 -8.204 1.00 61.40 H new ATOM 0 HE1 TYR A 53 9.820 8.803 -5.910 1.00 4.23 H new ATOM 0 HE2 TYR A 53 7.682 10.731 -9.119 1.00 50.11 H new ATOM 0 HH TYR A 53 10.771 10.218 -7.317 1.00 72.23 H new ATOM 459 N LEU A 54 5.774 5.793 -4.252 1.00 51.40 N ATOM 460 CA LEU A 54 6.659 4.861 -3.545 1.00 42.42 C ATOM 461 C LEU A 54 6.432 3.411 -3.975 1.00 51.31 C ATOM 462 O LEU A 54 7.375 2.626 -3.915 1.00 41.23 O ATOM 463 CB LEU A 54 6.439 4.948 -2.028 1.00 50.21 C ATOM 464 CG LEU A 54 6.759 6.306 -1.376 1.00 53.42 C ATOM 465 CD1 LEU A 54 6.640 6.174 0.144 1.00 72.22 C ATOM 466 CD2 LEU A 54 8.133 6.853 -1.782 1.00 12.32 C ATOM 0 H LEU A 54 5.184 6.336 -3.622 1.00 51.40 H new ATOM 0 HA LEU A 54 7.678 5.152 -3.801 1.00 42.42 H new ATOM 0 HB2 LEU A 54 5.398 4.703 -1.817 1.00 50.21 H new ATOM 0 HB3 LEU A 54 7.050 4.184 -1.548 1.00 50.21 H new ATOM 0 HG LEU A 54 6.033 7.033 -1.739 1.00 53.42 H new ATOM 0 HD11 LEU A 54 6.866 7.133 0.611 1.00 72.22 H new ATOM 0 HD12 LEU A 54 5.625 5.873 0.405 1.00 72.22 H new ATOM 0 HD13 LEU A 54 7.344 5.422 0.500 1.00 72.22 H new ATOM 0 HD21 LEU A 54 8.302 7.812 -1.292 1.00 12.32 H new ATOM 0 HD22 LEU A 54 8.909 6.149 -1.480 1.00 12.32 H new ATOM 0 HD23 LEU A 54 8.166 6.988 -2.863 1.00 12.32 H new ATOM 478 N ALA A 55 5.210 3.040 -4.362 1.00 43.40 N ATOM 479 CA ALA A 55 4.884 1.706 -4.834 1.00 13.02 C ATOM 480 C ALA A 55 5.468 1.487 -6.226 1.00 41.34 C ATOM 481 O ALA A 55 6.305 0.604 -6.381 1.00 61.11 O ATOM 482 CB ALA A 55 3.371 1.484 -4.795 1.00 14.31 C ATOM 0 H ALA A 55 4.411 3.673 -4.354 1.00 43.40 H new ATOM 0 HA ALA A 55 5.333 0.965 -4.173 1.00 13.02 H new ATOM 0 HB1 ALA A 55 3.141 0.480 -5.152 1.00 14.31 H new ATOM 0 HB2 ALA A 55 3.013 1.596 -3.772 1.00 14.31 H new ATOM 0 HB3 ALA A 55 2.879 2.217 -5.434 1.00 14.31 H new ATOM 488 N GLN A 56 5.106 2.300 -7.233 1.00 1.13 N ATOM 489 CA GLN A 56 5.615 2.038 -8.594 1.00 22.24 C ATOM 490 C GLN A 56 7.144 2.104 -8.605 1.00 3.23 C ATOM 491 O GLN A 56 7.806 1.417 -9.385 1.00 21.34 O ATOM 492 CB GLN A 56 5.142 3.039 -9.668 1.00 22.14 C ATOM 493 CG GLN A 56 3.838 3.789 -9.430 1.00 62.34 C ATOM 494 CD GLN A 56 2.621 2.893 -9.236 1.00 13.24 C ATOM 495 OE1 GLN A 56 2.272 2.100 -10.103 1.00 73.44 O ATOM 496 NE2 GLN A 56 1.912 3.053 -8.135 1.00 72.32 N ATOM 0 H GLN A 56 4.491 3.109 -7.142 1.00 1.13 H new ATOM 0 HA GLN A 56 5.221 1.052 -8.841 1.00 22.24 H new ATOM 0 HB2 GLN A 56 5.931 3.779 -9.804 1.00 22.14 H new ATOM 0 HB3 GLN A 56 5.047 2.497 -10.609 1.00 22.14 H new ATOM 0 HG2 GLN A 56 3.952 4.421 -8.549 1.00 62.34 H new ATOM 0 HG3 GLN A 56 3.655 4.451 -10.276 1.00 62.34 H new ATOM 0 HE21 GLN A 56 2.217 3.717 -7.424 1.00 72.32 H new ATOM 0 HE22 GLN A 56 1.059 2.512 -7.995 1.00 72.32 H new ATOM 505 N HIS A 57 7.699 2.995 -7.782 1.00 13.43 N ATOM 506 CA HIS A 57 9.107 3.313 -7.762 1.00 44.32 C ATOM 507 C HIS A 57 9.894 2.331 -6.885 1.00 45.10 C ATOM 508 O HIS A 57 11.114 2.478 -6.758 1.00 65.11 O ATOM 509 CB HIS A 57 9.238 4.755 -7.271 1.00 43.31 C ATOM 510 CG HIS A 57 10.538 5.446 -7.554 1.00 11.23 C ATOM 511 ND1 HIS A 57 11.285 5.384 -8.710 1.00 62.21 N ATOM 512 CD2 HIS A 57 11.043 6.455 -6.787 1.00 64.54 C ATOM 513 CE1 HIS A 57 12.209 6.355 -8.635 1.00 11.13 C ATOM 514 NE2 HIS A 57 12.092 7.032 -7.487 1.00 13.15 N ATOM 0 H HIS A 57 7.158 3.523 -7.097 1.00 13.43 H new ATOM 0 HA HIS A 57 9.535 3.219 -8.760 1.00 44.32 H new ATOM 0 HB2 HIS A 57 8.436 5.341 -7.719 1.00 43.31 H new ATOM 0 HB3 HIS A 57 9.075 4.764 -6.193 1.00 43.31 H new ATOM 0 HD2 HIS A 57 10.689 6.751 -5.810 1.00 64.54 H new ATOM 0 HE1 HIS A 57 12.946 6.561 -9.397 1.00 11.13 H new ATOM 0 HE2 HIS A 57 12.664 7.821 -7.185 1.00 13.15 H new ATOM 522 N ASP A 58 9.225 1.336 -6.277 1.00 10.45 N ATOM 523 CA ASP A 58 9.840 0.406 -5.331 1.00 44.43 C ATOM 524 C ASP A 58 11.046 -0.296 -5.937 1.00 44.22 C ATOM 525 O ASP A 58 11.940 -0.697 -5.198 1.00 12.33 O ATOM 526 CB ASP A 58 8.862 -0.659 -4.791 1.00 11.24 C ATOM 527 CG ASP A 58 8.798 -1.954 -5.625 1.00 32.55 C ATOM 528 OD1 ASP A 58 8.548 -1.908 -6.849 1.00 24.41 O ATOM 529 OD2 ASP A 58 9.071 -3.051 -5.069 1.00 54.00 O1- ATOM 0 H ASP A 58 8.233 1.158 -6.434 1.00 10.45 H new ATOM 0 HA ASP A 58 10.155 1.027 -4.493 1.00 44.43 H new ATOM 0 HB2 ASP A 58 9.150 -0.913 -3.771 1.00 11.24 H new ATOM 0 HB3 ASP A 58 7.864 -0.225 -4.742 1.00 11.24 H new ATOM 534 N GLY A 59 11.064 -0.450 -7.259 1.00 72.11 N ATOM 535 CA GLY A 59 12.120 -1.064 -8.025 1.00 25.12 C ATOM 536 C GLY A 59 13.402 -0.247 -7.941 1.00 24.23 C ATOM 537 O GLY A 59 14.378 -0.731 -7.367 1.00 24.14 O ATOM 0 H GLY A 59 10.295 -0.128 -7.847 1.00 72.11 H new ATOM 0 HA2 GLY A 59 12.303 -2.073 -7.655 1.00 25.12 H new ATOM 0 HA3 GLY A 59 11.812 -1.157 -9.066 1.00 25.12 H new ATOM 541 N GLU A 60 13.403 0.976 -8.485 1.00 31.52 N ATOM 542 CA GLU A 60 14.574 1.851 -8.501 1.00 64.32 C ATOM 543 C GLU A 60 15.042 2.163 -7.076 1.00 21.53 C ATOM 544 O GLU A 60 16.240 2.074 -6.812 1.00 65.54 O ATOM 545 CB GLU A 60 14.283 3.130 -9.307 1.00 41.20 C ATOM 546 CG GLU A 60 15.479 4.099 -9.288 1.00 51.42 C ATOM 547 CD GLU A 60 15.413 5.158 -10.392 1.00 32.24 C ATOM 548 OE1 GLU A 60 15.818 4.851 -11.534 1.00 42.32 O1- ATOM 549 OE2 GLU A 60 15.005 6.311 -10.124 1.00 41.42 O ATOM 0 H GLU A 60 12.582 1.387 -8.930 1.00 31.52 H new ATOM 0 HA GLU A 60 15.392 1.330 -9.000 1.00 64.32 H new ATOM 0 HB2 GLU A 60 14.046 2.865 -10.337 1.00 41.20 H new ATOM 0 HB3 GLU A 60 13.405 3.628 -8.896 1.00 41.20 H new ATOM 0 HG2 GLU A 60 15.521 4.596 -8.319 1.00 51.42 H new ATOM 0 HG3 GLU A 60 16.402 3.529 -9.394 1.00 51.42 H new ATOM 556 N ILE A 61 14.111 2.467 -6.163 1.00 1.35 N ATOM 557 CA ILE A 61 14.376 2.713 -4.745 1.00 33.21 C ATOM 558 C ILE A 61 15.163 1.536 -4.169 1.00 1.44 C ATOM 559 O ILE A 61 16.270 1.714 -3.666 1.00 50.23 O ATOM 560 CB ILE A 61 13.064 2.968 -3.951 1.00 14.02 C ATOM 561 CG1 ILE A 61 12.410 4.304 -4.374 1.00 41.11 C ATOM 562 CG2 ILE A 61 13.304 2.959 -2.423 1.00 32.11 C ATOM 563 CD1 ILE A 61 11.031 4.548 -3.736 1.00 61.23 C ATOM 0 H ILE A 61 13.123 2.550 -6.401 1.00 1.35 H new ATOM 0 HA ILE A 61 14.974 3.620 -4.650 1.00 33.21 H new ATOM 0 HB ILE A 61 12.385 2.150 -4.191 1.00 14.02 H new ATOM 0 HG12 ILE A 61 13.075 5.125 -4.105 1.00 41.11 H new ATOM 0 HG13 ILE A 61 12.306 4.320 -5.459 1.00 41.11 H new ATOM 0 HG21 ILE A 61 12.362 3.141 -1.906 1.00 32.11 H new ATOM 0 HG22 ILE A 61 13.701 1.989 -2.123 1.00 32.11 H new ATOM 0 HG23 ILE A 61 14.018 3.740 -2.162 1.00 32.11 H new ATOM 0 HD11 ILE A 61 10.635 5.504 -4.079 1.00 61.23 H new ATOM 0 HD12 ILE A 61 10.350 3.748 -4.025 1.00 61.23 H new ATOM 0 HD13 ILE A 61 11.130 4.565 -2.651 1.00 61.23 H new ATOM 575 N ARG A 62 14.586 0.331 -4.213 1.00 10.43 N ATOM 576 CA ARG A 62 15.210 -0.865 -3.659 1.00 11.21 C ATOM 577 C ARG A 62 16.533 -1.135 -4.342 1.00 23.12 C ATOM 578 O ARG A 62 17.454 -1.602 -3.680 1.00 71.13 O ATOM 579 CB ARG A 62 14.252 -2.040 -3.858 1.00 71.24 C ATOM 580 CG ARG A 62 14.820 -3.451 -3.658 1.00 34.33 C ATOM 581 CD ARG A 62 15.282 -4.007 -5.020 1.00 11.33 C ATOM 582 NE ARG A 62 15.406 -5.463 -5.023 1.00 3.35 N ATOM 583 CZ ARG A 62 14.377 -6.314 -5.059 1.00 73.11 C ATOM 584 NH1 ARG A 62 13.117 -5.890 -5.006 1.00 74.42 N1+ ATOM 585 NH2 ARG A 62 14.636 -7.607 -5.128 1.00 72.14 N ATOM 0 H ARG A 62 13.673 0.162 -4.635 1.00 10.43 H new ATOM 0 HA ARG A 62 15.409 -0.725 -2.597 1.00 11.21 H new ATOM 0 HB2 ARG A 62 13.415 -1.913 -3.172 1.00 71.24 H new ATOM 0 HB3 ARG A 62 13.848 -1.979 -4.869 1.00 71.24 H new ATOM 0 HG2 ARG A 62 15.656 -3.424 -2.960 1.00 34.33 H new ATOM 0 HG3 ARG A 62 14.063 -4.103 -3.223 1.00 34.33 H new ATOM 0 HD2 ARG A 62 14.572 -3.706 -5.790 1.00 11.33 H new ATOM 0 HD3 ARG A 62 16.243 -3.564 -5.281 1.00 11.33 H new ATOM 0 HE ARG A 62 16.346 -5.858 -4.996 1.00 3.35 H new ATOM 0 HH11 ARG A 62 12.917 -4.892 -4.936 1.00 74.42 H new ATOM 0 HH12 ARG A 62 12.351 -6.563 -5.035 1.00 74.42 H new ATOM 0 HH21 ARG A 62 15.602 -7.933 -5.152 1.00 72.14 H new ATOM 0 HH22 ARG A 62 13.870 -8.280 -5.157 1.00 72.14 H new ATOM 599 N ALA A 63 16.610 -0.950 -5.659 1.00 31.54 N ATOM 600 CA ALA A 63 17.830 -1.197 -6.391 1.00 74.52 C ATOM 601 C ALA A 63 18.916 -0.297 -5.828 1.00 50.14 C ATOM 602 O ALA A 63 20.006 -0.780 -5.539 1.00 72.52 O ATOM 603 CB ALA A 63 17.620 -0.958 -7.887 1.00 33.22 C ATOM 0 H ALA A 63 15.832 -0.628 -6.235 1.00 31.54 H new ATOM 0 HA ALA A 63 18.132 -2.238 -6.277 1.00 74.52 H new ATOM 0 HB1 ALA A 63 18.551 -1.150 -8.420 1.00 33.22 H new ATOM 0 HB2 ALA A 63 16.845 -1.629 -8.257 1.00 33.22 H new ATOM 0 HB3 ALA A 63 17.314 0.075 -8.051 1.00 33.22 H new ATOM 609 N GLU A 64 18.641 0.998 -5.670 1.00 32.43 N ATOM 610 CA GLU A 64 19.701 1.928 -5.336 1.00 32.55 C ATOM 611 C GLU A 64 20.085 1.725 -3.873 1.00 65.50 C ATOM 612 O GLU A 64 21.265 1.625 -3.540 1.00 72.13 O ATOM 613 CB GLU A 64 19.303 3.369 -5.668 1.00 33.33 C ATOM 614 CG GLU A 64 18.545 4.228 -4.664 1.00 61.14 C ATOM 615 CD GLU A 64 18.687 5.685 -5.105 1.00 45.00 C ATOM 616 OE1 GLU A 64 17.847 6.168 -5.890 1.00 23.25 O ATOM 617 OE2 GLU A 64 19.732 6.317 -4.818 1.00 62.14 O1- ATOM 0 H GLU A 64 17.714 1.412 -5.767 1.00 32.43 H new ATOM 0 HA GLU A 64 20.583 1.730 -5.945 1.00 32.55 H new ATOM 0 HB2 GLU A 64 20.220 3.904 -5.916 1.00 33.33 H new ATOM 0 HB3 GLU A 64 18.700 3.332 -6.575 1.00 33.33 H new ATOM 0 HG2 GLU A 64 17.495 3.939 -4.628 1.00 61.14 H new ATOM 0 HG3 GLU A 64 18.948 4.090 -3.661 1.00 61.14 H new ATOM 624 N ALA A 65 19.072 1.575 -3.016 1.00 74.13 N ATOM 625 CA ALA A 65 19.228 1.341 -1.597 1.00 20.25 C ATOM 626 C ALA A 65 20.021 0.065 -1.330 1.00 20.33 C ATOM 627 O ALA A 65 20.732 -0.006 -0.329 1.00 72.33 O ATOM 628 CB ALA A 65 17.843 1.232 -0.951 1.00 63.12 C ATOM 0 H ALA A 65 18.096 1.616 -3.309 1.00 74.13 H new ATOM 0 HA ALA A 65 19.780 2.177 -1.166 1.00 20.25 H new ATOM 0 HB1 ALA A 65 17.953 1.056 0.119 1.00 63.12 H new ATOM 0 HB2 ALA A 65 17.293 2.159 -1.111 1.00 63.12 H new ATOM 0 HB3 ALA A 65 17.296 0.403 -1.401 1.00 63.12 H new ATOM 634 N ALA A 66 19.868 -0.961 -2.171 1.00 35.25 N ATOM 635 CA ALA A 66 20.503 -2.257 -1.980 1.00 60.12 C ATOM 636 C ALA A 66 21.772 -2.431 -2.814 1.00 1.44 C ATOM 637 O ALA A 66 22.451 -3.447 -2.654 1.00 55.20 O ATOM 638 CB ALA A 66 19.509 -3.355 -2.327 1.00 32.22 C ATOM 0 H ALA A 66 19.292 -0.909 -3.011 1.00 35.25 H new ATOM 0 HA ALA A 66 20.803 -2.320 -0.934 1.00 60.12 H new ATOM 0 HB1 ALA A 66 19.978 -4.329 -2.186 1.00 32.22 H new ATOM 0 HB2 ALA A 66 18.637 -3.275 -1.678 1.00 32.22 H new ATOM 0 HB3 ALA A 66 19.198 -3.249 -3.366 1.00 32.22 H new ATOM 644 N ALA A 67 22.065 -1.503 -3.726 1.00 73.30 N ATOM 645 CA ALA A 67 23.335 -1.415 -4.430 1.00 12.02 C ATOM 646 C ALA A 67 24.315 -0.476 -3.711 1.00 23.23 C ATOM 647 O ALA A 67 25.433 -0.288 -4.195 1.00 63.54 O ATOM 648 CB ALA A 67 23.073 -0.963 -5.867 1.00 31.32 C ATOM 0 H ALA A 67 21.405 -0.775 -3.999 1.00 73.30 H new ATOM 0 HA ALA A 67 23.807 -2.398 -4.444 1.00 12.02 H new ATOM 0 HB1 ALA A 67 24.019 -0.893 -6.405 1.00 31.32 H new ATOM 0 HB2 ALA A 67 22.426 -1.686 -6.363 1.00 31.32 H new ATOM 0 HB3 ALA A 67 22.588 0.013 -5.859 1.00 31.32 H new ATOM 654 N ASP A 68 23.930 0.127 -2.581 1.00 52.31 N ATOM 655 CA ASP A 68 24.831 0.937 -1.765 1.00 1.21 C ATOM 656 C ASP A 68 26.018 0.080 -1.296 1.00 74.30 C ATOM 657 O ASP A 68 25.798 -1.088 -0.952 1.00 13.03 O ATOM 658 CB ASP A 68 24.043 1.451 -0.552 1.00 52.01 C ATOM 659 CG ASP A 68 24.952 2.218 0.403 1.00 53.30 C ATOM 660 OD1 ASP A 68 25.147 3.432 0.168 1.00 23.42 O ATOM 661 OD2 ASP A 68 25.505 1.610 1.347 1.00 43.10 O1- ATOM 0 H ASP A 68 22.982 0.065 -2.209 1.00 52.31 H new ATOM 0 HA ASP A 68 25.217 1.776 -2.344 1.00 1.21 H new ATOM 0 HB2 ASP A 68 23.233 2.098 -0.888 1.00 52.01 H new ATOM 0 HB3 ASP A 68 23.585 0.612 -0.029 1.00 52.01 H new ATOM 666 N PRO A 69 27.250 0.620 -1.199 1.00 61.40 N ATOM 667 CA PRO A 69 28.440 -0.175 -0.906 1.00 15.14 C ATOM 668 C PRO A 69 28.349 -0.897 0.432 1.00 75.21 C ATOM 669 O PRO A 69 28.790 -2.041 0.551 1.00 52.34 O ATOM 670 CB PRO A 69 29.632 0.781 -0.934 1.00 11.22 C ATOM 671 CG PRO A 69 29.000 2.161 -0.814 1.00 14.44 C ATOM 672 CD PRO A 69 27.667 1.973 -1.530 1.00 62.30 C ATOM 0 HA PRO A 69 28.547 -0.962 -1.652 1.00 15.14 H new ATOM 0 HB2 PRO A 69 30.321 0.585 -0.112 1.00 11.22 H new ATOM 0 HB3 PRO A 69 30.202 0.682 -1.858 1.00 11.22 H new ATOM 0 HG2 PRO A 69 28.864 2.457 0.226 1.00 14.44 H new ATOM 0 HG3 PRO A 69 29.611 2.930 -1.287 1.00 14.44 H new ATOM 0 HD2 PRO A 69 26.932 2.705 -1.195 1.00 62.30 H new ATOM 0 HD3 PRO A 69 27.776 2.100 -2.607 1.00 62.30 H new ATOM 680 N ALA A 70 27.774 -0.245 1.442 1.00 24.51 N ATOM 681 CA ALA A 70 27.692 -0.831 2.764 1.00 4.33 C ATOM 682 C ALA A 70 26.701 -1.988 2.744 1.00 71.40 C ATOM 683 O ALA A 70 26.939 -2.991 3.410 1.00 63.10 O ATOM 684 CB ALA A 70 27.273 0.234 3.772 1.00 53.44 C ATOM 0 H ALA A 70 27.362 0.685 1.363 1.00 24.51 H new ATOM 0 HA ALA A 70 28.667 -1.217 3.061 1.00 4.33 H new ATOM 0 HB1 ALA A 70 27.212 -0.210 4.766 1.00 53.44 H new ATOM 0 HB2 ALA A 70 28.008 1.039 3.778 1.00 53.44 H new ATOM 0 HB3 ALA A 70 26.299 0.635 3.493 1.00 53.44 H new ATOM 690 N VAL A 71 25.614 -1.873 1.978 1.00 52.04 N ATOM 691 CA VAL A 71 24.607 -2.914 1.872 1.00 73.34 C ATOM 692 C VAL A 71 25.168 -4.103 1.097 1.00 24.52 C ATOM 693 O VAL A 71 25.044 -5.233 1.570 1.00 60.43 O ATOM 694 CB VAL A 71 23.310 -2.350 1.261 1.00 4.41 C ATOM 695 CG1 VAL A 71 22.250 -3.453 1.088 1.00 2.44 C ATOM 696 CG2 VAL A 71 22.753 -1.221 2.150 1.00 72.42 C ATOM 0 H VAL A 71 25.413 -1.048 1.413 1.00 52.04 H new ATOM 0 HA VAL A 71 24.345 -3.277 2.866 1.00 73.34 H new ATOM 0 HB VAL A 71 23.548 -1.949 0.276 1.00 4.41 H new ATOM 0 HG11 VAL A 71 21.346 -3.024 0.655 1.00 2.44 H new ATOM 0 HG12 VAL A 71 22.637 -4.229 0.427 1.00 2.44 H new ATOM 0 HG13 VAL A 71 22.016 -3.888 2.060 1.00 2.44 H new ATOM 0 HG21 VAL A 71 21.836 -0.829 1.709 1.00 72.42 H new ATOM 0 HG22 VAL A 71 22.539 -1.613 3.144 1.00 72.42 H new ATOM 0 HG23 VAL A 71 23.489 -0.421 2.226 1.00 72.42 H new ATOM 706 N VAL A 72 25.791 -3.889 -0.065 1.00 40.23 N ATOM 707 CA VAL A 72 26.315 -5.002 -0.853 1.00 51.22 C ATOM 708 C VAL A 72 27.408 -5.745 -0.086 1.00 60.11 C ATOM 709 O VAL A 72 27.427 -6.976 -0.096 1.00 2.22 O ATOM 710 CB VAL A 72 26.795 -4.558 -2.246 1.00 13.32 C ATOM 711 CG1 VAL A 72 25.629 -3.992 -3.064 1.00 72.24 C ATOM 712 CG2 VAL A 72 27.932 -3.539 -2.240 1.00 63.30 C ATOM 0 H VAL A 72 25.942 -2.967 -0.475 1.00 40.23 H new ATOM 0 HA VAL A 72 25.492 -5.697 -1.021 1.00 51.22 H new ATOM 0 HB VAL A 72 27.193 -5.465 -2.701 1.00 13.32 H new ATOM 0 HG11 VAL A 72 25.989 -3.684 -4.046 1.00 72.24 H new ATOM 0 HG12 VAL A 72 24.862 -4.758 -3.183 1.00 72.24 H new ATOM 0 HG13 VAL A 72 25.205 -3.131 -2.546 1.00 72.24 H new ATOM 0 HG21 VAL A 72 28.201 -3.288 -3.266 1.00 63.30 H new ATOM 0 HG22 VAL A 72 27.610 -2.638 -1.718 1.00 63.30 H new ATOM 0 HG23 VAL A 72 28.798 -3.963 -1.731 1.00 63.30 H new ATOM 722 N ALA A 73 28.285 -5.006 0.598 1.00 73.21 N ATOM 723 CA ALA A 73 29.331 -5.563 1.445 1.00 22.52 C ATOM 724 C ALA A 73 28.712 -6.334 2.610 1.00 63.43 C ATOM 725 O ALA A 73 29.059 -7.495 2.828 1.00 13.12 O ATOM 726 CB ALA A 73 30.256 -4.453 1.953 1.00 55.43 C ATOM 0 H ALA A 73 28.284 -3.986 0.575 1.00 73.21 H new ATOM 0 HA ALA A 73 29.929 -6.257 0.855 1.00 22.52 H new ATOM 0 HB1 ALA A 73 31.032 -4.886 2.584 1.00 55.43 H new ATOM 0 HB2 ALA A 73 30.718 -3.948 1.105 1.00 55.43 H new ATOM 0 HB3 ALA A 73 29.677 -3.733 2.532 1.00 55.43 H new ATOM 732 N ALA A 74 27.776 -5.716 3.342 1.00 53.41 N ATOM 733 CA ALA A 74 27.091 -6.351 4.458 1.00 31.51 C ATOM 734 C ALA A 74 26.425 -7.648 4.013 1.00 42.11 C ATOM 735 O ALA A 74 26.545 -8.647 4.709 1.00 71.22 O ATOM 736 CB ALA A 74 26.055 -5.408 5.081 1.00 40.31 C ATOM 0 H ALA A 74 27.476 -4.756 3.170 1.00 53.41 H new ATOM 0 HA ALA A 74 27.838 -6.584 5.217 1.00 31.51 H new ATOM 0 HB1 ALA A 74 25.559 -5.910 5.912 1.00 40.31 H new ATOM 0 HB2 ALA A 74 26.553 -4.509 5.445 1.00 40.31 H new ATOM 0 HB3 ALA A 74 25.315 -5.133 4.330 1.00 40.31 H new ATOM 742 N LYS A 75 25.744 -7.652 2.864 1.00 35.51 N ATOM 743 CA LYS A 75 25.100 -8.846 2.331 1.00 61.23 C ATOM 744 C LYS A 75 26.147 -9.896 1.983 1.00 64.11 C ATOM 745 O LYS A 75 25.988 -11.057 2.352 1.00 14.43 O ATOM 746 CB LYS A 75 24.238 -8.473 1.113 1.00 61.53 C ATOM 747 CG LYS A 75 23.159 -9.528 0.825 1.00 71.11 C ATOM 748 CD LYS A 75 23.652 -10.720 -0.013 1.00 20.34 C ATOM 749 CE LYS A 75 23.114 -10.621 -1.442 1.00 52.10 C ATOM 750 NZ LYS A 75 23.980 -11.344 -2.389 1.00 53.22 N1+ ATOM 0 H LYS A 75 25.626 -6.824 2.280 1.00 35.51 H new ATOM 0 HA LYS A 75 24.443 -9.276 3.087 1.00 61.23 H new ATOM 0 HB2 LYS A 75 23.763 -7.507 1.287 1.00 61.53 H new ATOM 0 HB3 LYS A 75 24.877 -8.360 0.237 1.00 61.53 H new ATOM 0 HG2 LYS A 75 22.769 -9.901 1.772 1.00 71.11 H new ATOM 0 HG3 LYS A 75 22.329 -9.050 0.304 1.00 71.11 H new ATOM 0 HD2 LYS A 75 24.742 -10.738 -0.028 1.00 20.34 H new ATOM 0 HD3 LYS A 75 23.324 -11.654 0.443 1.00 20.34 H new ATOM 0 HE2 LYS A 75 22.105 -11.031 -1.483 1.00 52.10 H new ATOM 0 HE3 LYS A 75 23.045 -9.574 -1.735 1.00 52.10 H new ATOM 0 HZ1 LYS A 75 23.591 -11.260 -3.350 1.00 53.22 H new ATOM 0 HZ2 LYS A 75 24.936 -10.936 -2.366 1.00 53.22 H new ATOM 0 HZ3 LYS A 75 24.025 -12.348 -2.121 1.00 53.22 H new ATOM 764 N ALA A 76 27.196 -9.502 1.259 1.00 42.42 N ATOM 765 CA ALA A 76 28.238 -10.407 0.801 1.00 72.52 C ATOM 766 C ALA A 76 28.932 -11.096 1.979 1.00 53.40 C ATOM 767 O ALA A 76 29.327 -12.255 1.849 1.00 42.34 O ATOM 768 CB ALA A 76 29.255 -9.633 -0.044 1.00 22.34 C ATOM 0 H ALA A 76 27.343 -8.534 0.974 1.00 42.42 H new ATOM 0 HA ALA A 76 27.779 -11.184 0.190 1.00 72.52 H new ATOM 0 HB1 ALA A 76 30.035 -10.312 -0.387 1.00 22.34 H new ATOM 0 HB2 ALA A 76 28.753 -9.193 -0.906 1.00 22.34 H new ATOM 0 HB3 ALA A 76 29.701 -8.842 0.558 1.00 22.34 H new ATOM 774 N ALA A 77 29.078 -10.386 3.102 1.00 55.01 N ATOM 775 CA ALA A 77 29.617 -10.911 4.345 1.00 2.04 C ATOM 776 C ALA A 77 28.565 -11.696 5.140 1.00 21.53 C ATOM 777 O ALA A 77 28.920 -12.675 5.789 1.00 43.42 O ATOM 778 CB ALA A 77 30.163 -9.747 5.178 1.00 60.11 C ATOM 0 H ALA A 77 28.815 -9.403 3.166 1.00 55.01 H new ATOM 0 HA ALA A 77 30.419 -11.610 4.108 1.00 2.04 H new ATOM 0 HB1 ALA A 77 30.570 -10.129 6.114 1.00 60.11 H new ATOM 0 HB2 ALA A 77 30.950 -9.238 4.621 1.00 60.11 H new ATOM 0 HB3 ALA A 77 29.358 -9.044 5.393 1.00 60.11 H new ATOM 784 N LEU A 78 27.289 -11.296 5.123 1.00 14.23 N ATOM 785 CA LEU A 78 26.211 -11.988 5.834 1.00 71.41 C ATOM 786 C LEU A 78 26.106 -13.411 5.312 1.00 12.44 C ATOM 787 O LEU A 78 26.087 -14.361 6.089 1.00 73.10 O ATOM 788 CB LEU A 78 24.867 -11.245 5.669 1.00 31.22 C ATOM 789 CG LEU A 78 23.668 -11.937 6.353 1.00 73.30 C ATOM 790 CD1 LEU A 78 23.916 -12.157 7.850 1.00 4.15 C ATOM 791 CD2 LEU A 78 22.403 -11.078 6.181 1.00 54.20 C ATOM 0 H LEU A 78 26.973 -10.473 4.609 1.00 14.23 H new ATOM 0 HA LEU A 78 26.443 -12.007 6.899 1.00 71.41 H new ATOM 0 HB2 LEU A 78 24.970 -10.239 6.075 1.00 31.22 H new ATOM 0 HB3 LEU A 78 24.652 -11.140 4.606 1.00 31.22 H new ATOM 0 HG LEU A 78 23.537 -12.909 5.878 1.00 73.30 H new ATOM 0 HD11 LEU A 78 23.049 -12.646 8.294 1.00 4.15 H new ATOM 0 HD12 LEU A 78 24.796 -12.786 7.984 1.00 4.15 H new ATOM 0 HD13 LEU A 78 24.079 -11.196 8.337 1.00 4.15 H new ATOM 0 HD21 LEU A 78 21.560 -11.571 6.665 1.00 54.20 H new ATOM 0 HD22 LEU A 78 22.562 -10.100 6.636 1.00 54.20 H new ATOM 0 HD23 LEU A 78 22.189 -10.953 5.119 1.00 54.20 H new ATOM 803 N ASP A 79 26.086 -13.542 3.988 1.00 73.42 N ATOM 804 CA ASP A 79 25.991 -14.809 3.275 1.00 41.40 C ATOM 805 C ASP A 79 27.289 -15.627 3.340 1.00 73.52 C ATOM 806 O ASP A 79 27.389 -16.665 2.682 1.00 3.55 O ATOM 807 CB ASP A 79 25.601 -14.511 1.819 1.00 64.30 C ATOM 808 CG ASP A 79 24.828 -15.656 1.171 1.00 52.50 C ATOM 809 OD1 ASP A 79 23.777 -16.044 1.726 1.00 4.32 O ATOM 810 OD2 ASP A 79 25.158 -16.037 0.025 1.00 54.43 O1- ATOM 0 H ASP A 79 26.137 -12.739 3.361 1.00 73.42 H new ATOM 0 HA ASP A 79 25.231 -15.424 3.757 1.00 41.40 H new ATOM 0 HB2 ASP A 79 24.995 -13.605 1.787 1.00 64.30 H new ATOM 0 HB3 ASP A 79 26.502 -14.312 1.239 1.00 64.30 H new ATOM 815 N ALA A 80 28.302 -15.155 4.080 1.00 73.13 N ATOM 816 CA ALA A 80 29.615 -15.774 4.247 1.00 41.00 C ATOM 817 C ALA A 80 29.974 -16.029 5.720 1.00 61.31 C ATOM 818 O ALA A 80 30.998 -16.651 5.998 1.00 1.34 O ATOM 819 CB ALA A 80 30.672 -14.871 3.600 1.00 4.05 C ATOM 0 H ALA A 80 28.218 -14.284 4.604 1.00 73.13 H new ATOM 0 HA ALA A 80 29.587 -16.749 3.761 1.00 41.00 H new ATOM 0 HB1 ALA A 80 31.657 -15.322 3.718 1.00 4.05 H new ATOM 0 HB2 ALA A 80 30.451 -14.754 2.539 1.00 4.05 H new ATOM 0 HB3 ALA A 80 30.660 -13.894 4.083 1.00 4.05 H new ATOM 825 N VAL A 81 29.183 -15.504 6.660 1.00 1.22 N ATOM 826 CA VAL A 81 29.423 -15.519 8.105 1.00 33.52 C ATOM 827 C VAL A 81 28.084 -15.853 8.790 1.00 22.45 C ATOM 828 O VAL A 81 27.778 -15.408 9.897 1.00 22.12 O ATOM 829 CB VAL A 81 30.093 -14.188 8.543 1.00 72.50 C ATOM 830 CG1 VAL A 81 30.547 -14.170 10.012 1.00 33.54 C ATOM 831 CG2 VAL A 81 31.348 -13.885 7.701 1.00 23.44 C ATOM 0 H VAL A 81 28.311 -15.032 6.420 1.00 1.22 H new ATOM 0 HA VAL A 81 30.133 -16.287 8.412 1.00 33.52 H new ATOM 0 HB VAL A 81 29.312 -13.441 8.397 1.00 72.50 H new ATOM 0 HG11 VAL A 81 31.005 -13.207 10.240 1.00 33.54 H new ATOM 0 HG12 VAL A 81 29.685 -14.325 10.661 1.00 33.54 H new ATOM 0 HG13 VAL A 81 31.274 -14.965 10.178 1.00 33.54 H new ATOM 0 HG21 VAL A 81 31.792 -12.947 8.034 1.00 23.44 H new ATOM 0 HG22 VAL A 81 32.071 -14.692 7.822 1.00 23.44 H new ATOM 0 HG23 VAL A 81 31.070 -13.802 6.650 1.00 23.44 H new ATOM 841 N GLU A 82 27.252 -16.630 8.104 1.00 55.32 N ATOM 842 CA GLU A 82 26.012 -17.194 8.597 1.00 72.01 C ATOM 843 C GLU A 82 26.275 -18.236 9.690 1.00 35.13 C ATOM 844 O GLU A 82 27.415 -18.501 10.065 1.00 15.11 O ATOM 845 CB GLU A 82 25.233 -17.791 7.413 1.00 44.20 C ATOM 846 CG GLU A 82 25.629 -19.219 6.976 1.00 22.12 C ATOM 847 CD GLU A 82 27.125 -19.499 6.754 1.00 31.43 C ATOM 848 OE1 GLU A 82 27.839 -18.664 6.160 1.00 1.44 O ATOM 849 OE2 GLU A 82 27.577 -20.593 7.175 1.00 20.42 O1- ATOM 0 H GLU A 82 27.440 -16.894 7.137 1.00 55.32 H new ATOM 0 HA GLU A 82 25.410 -16.410 9.056 1.00 72.01 H new ATOM 0 HB2 GLU A 82 24.173 -17.794 7.669 1.00 44.20 H new ATOM 0 HB3 GLU A 82 25.352 -17.127 6.557 1.00 44.20 H new ATOM 0 HG2 GLU A 82 25.264 -19.916 7.730 1.00 22.12 H new ATOM 0 HG3 GLU A 82 25.102 -19.447 6.049 1.00 22.12 H new ATOM 856 N GLY A 83 25.232 -18.914 10.158 1.00 62.03 N ATOM 857 CA GLY A 83 25.409 -20.181 10.842 1.00 72.44 C ATOM 858 C GLY A 83 25.944 -19.993 12.244 1.00 42.12 C ATOM 859 O GLY A 83 26.889 -20.676 12.653 1.00 40.34 O ATOM 0 H GLY A 83 24.263 -18.606 10.075 1.00 62.03 H new ATOM 0 HA2 GLY A 83 24.455 -20.707 10.884 1.00 72.44 H new ATOM 0 HA3 GLY A 83 26.094 -20.809 10.273 1.00 72.44 H new ATOM 863 N GLY A 84 25.352 -19.029 12.954 1.00 62.14 N ATOM 864 CA GLY A 84 25.694 -18.701 14.330 1.00 14.33 C ATOM 865 C GLY A 84 27.174 -18.389 14.514 1.00 34.21 C ATOM 866 O GLY A 84 27.687 -18.525 15.629 1.00 43.22 O ATOM 0 H GLY A 84 24.606 -18.445 12.575 1.00 62.14 H new ATOM 0 HA2 GLY A 84 25.104 -17.843 14.651 1.00 14.33 H new ATOM 0 HA3 GLY A 84 25.421 -19.535 14.976 1.00 14.33 H new ATOM 870 N SER A 85 27.864 -18.003 13.440 1.00 53.44 N ATOM 871 CA SER A 85 29.240 -17.543 13.475 1.00 21.34 C ATOM 872 C SER A 85 29.386 -16.323 14.405 1.00 3.31 C ATOM 873 O SER A 85 28.393 -15.728 14.823 1.00 14.45 O ATOM 874 CB SER A 85 29.660 -17.308 12.018 1.00 73.03 C ATOM 875 OG SER A 85 30.287 -18.479 11.514 1.00 32.42 O ATOM 0 H SER A 85 27.465 -18.004 12.501 1.00 53.44 H new ATOM 0 HA SER A 85 29.918 -18.278 13.908 1.00 21.34 H new ATOM 0 HB2 SER A 85 28.789 -17.059 11.412 1.00 73.03 H new ATOM 0 HB3 SER A 85 30.343 -16.461 11.957 1.00 73.03 H new ATOM 0 HG SER A 85 30.555 -18.332 10.583 1.00 32.42 H new ATOM 881 N HIS A 86 30.613 -15.969 14.792 1.00 51.33 N ATOM 882 CA HIS A 86 30.851 -15.013 15.874 1.00 43.12 C ATOM 883 C HIS A 86 30.288 -13.639 15.518 1.00 23.43 C ATOM 884 O HIS A 86 29.370 -13.146 16.177 1.00 71.34 O ATOM 885 CB HIS A 86 32.344 -14.959 16.213 1.00 35.52 C ATOM 886 CG HIS A 86 32.784 -16.169 16.994 1.00 4.14 C ATOM 887 ND1 HIS A 86 33.044 -16.190 18.344 1.00 52.44 N ATOM 888 CD2 HIS A 86 32.913 -17.447 16.525 1.00 75.03 C ATOM 889 CE1 HIS A 86 33.342 -17.453 18.678 1.00 35.21 C ATOM 890 NE2 HIS A 86 33.254 -18.262 17.608 1.00 42.53 N ATOM 0 H HIS A 86 31.465 -16.335 14.367 1.00 51.33 H new ATOM 0 HA HIS A 86 30.324 -15.348 16.767 1.00 43.12 H new ATOM 0 HB2 HIS A 86 32.924 -14.890 15.292 1.00 35.52 H new ATOM 0 HB3 HIS A 86 32.553 -14.058 16.790 1.00 35.52 H new ATOM 0 HD2 HIS A 86 32.776 -17.768 15.503 1.00 75.03 H new ATOM 0 HE1 HIS A 86 33.616 -17.777 19.671 1.00 35.21 H new ATOM 0 HE2 HIS A 86 33.406 -19.270 17.590 1.00 42.53 H new ATOM 898 N ASN A 87 30.758 -13.056 14.416 1.00 11.45 N ATOM 899 CA ASN A 87 30.233 -11.798 13.907 1.00 23.11 C ATOM 900 C ASN A 87 28.824 -11.957 13.321 1.00 13.03 C ATOM 901 O ASN A 87 28.306 -10.938 12.872 1.00 1.24 O ATOM 902 CB ASN A 87 31.190 -11.160 12.874 1.00 35.31 C ATOM 903 CG ASN A 87 32.412 -10.517 13.520 1.00 60.40 C ATOM 904 OD1 ASN A 87 33.419 -11.169 13.767 1.00 73.41 O ATOM 905 ND2 ASN A 87 32.402 -9.219 13.778 1.00 62.14 N ATOM 0 H ASN A 87 31.514 -13.446 13.853 1.00 11.45 H new ATOM 0 HA ASN A 87 30.158 -11.122 14.759 1.00 23.11 H new ATOM 0 HB2 ASN A 87 31.517 -11.924 12.168 1.00 35.31 H new ATOM 0 HB3 ASN A 87 30.649 -10.407 12.301 1.00 35.31 H new ATOM 0 HD21 ASN A 87 33.227 -8.772 14.178 1.00 62.14 H new ATOM 0 HD22 ASN A 87 31.569 -8.665 13.577 1.00 62.14 H new ATOM 912 N TYR A 88 28.179 -13.143 13.318 1.00 4.04 N ATOM 913 CA TYR A 88 26.866 -13.346 12.692 1.00 64.10 C ATOM 914 C TYR A 88 25.877 -12.285 13.160 1.00 3.15 C ATOM 915 O TYR A 88 25.278 -11.603 12.333 1.00 72.11 O ATOM 916 CB TYR A 88 26.278 -14.747 12.936 1.00 1.22 C ATOM 917 CG TYR A 88 24.891 -14.927 12.334 1.00 75.22 C ATOM 918 CD1 TYR A 88 24.692 -14.712 10.958 1.00 54.43 C ATOM 919 CD2 TYR A 88 23.787 -15.237 13.152 1.00 15.44 C ATOM 920 CE1 TYR A 88 23.404 -14.772 10.406 1.00 43.33 C ATOM 921 CE2 TYR A 88 22.489 -15.292 12.608 1.00 40.40 C ATOM 922 CZ TYR A 88 22.292 -15.024 11.234 1.00 3.45 C ATOM 923 OH TYR A 88 21.052 -15.047 10.675 1.00 75.21 O ATOM 0 H TYR A 88 28.559 -13.984 13.752 1.00 4.04 H new ATOM 0 HA TYR A 88 27.031 -13.254 11.618 1.00 64.10 H new ATOM 0 HB2 TYR A 88 26.950 -15.495 12.515 1.00 1.22 H new ATOM 0 HB3 TYR A 88 26.228 -14.932 14.009 1.00 1.22 H new ATOM 0 HD1 TYR A 88 25.538 -14.499 10.321 1.00 54.43 H new ATOM 0 HD2 TYR A 88 23.937 -15.434 14.203 1.00 15.44 H new ATOM 0 HE1 TYR A 88 23.264 -14.625 9.345 1.00 43.33 H new ATOM 0 HE2 TYR A 88 21.647 -15.538 13.238 1.00 40.40 H new ATOM 0 HH TYR A 88 20.384 -15.234 11.368 1.00 75.21 H new ATOM 933 N GLY A 89 25.731 -12.110 14.475 1.00 13.15 N ATOM 934 CA GLY A 89 24.791 -11.148 15.023 1.00 33.31 C ATOM 935 C GLY A 89 25.112 -9.712 14.620 1.00 73.22 C ATOM 936 O GLY A 89 24.185 -8.926 14.432 1.00 43.40 O ATOM 0 H GLY A 89 26.258 -12.628 15.178 1.00 13.15 H new ATOM 0 HA2 GLY A 89 23.785 -11.398 14.687 1.00 33.31 H new ATOM 0 HA3 GLY A 89 24.792 -11.224 16.110 1.00 33.31 H new ATOM 940 N GLU A 90 26.393 -9.359 14.454 1.00 44.04 N ATOM 941 CA GLU A 90 26.785 -8.059 13.975 1.00 20.12 C ATOM 942 C GLU A 90 26.363 -7.957 12.516 1.00 0.34 C ATOM 943 O GLU A 90 25.645 -7.022 12.186 1.00 44.01 O ATOM 944 CB GLU A 90 28.288 -7.810 14.224 1.00 53.11 C ATOM 945 CG GLU A 90 28.811 -6.793 13.216 1.00 1.02 C ATOM 946 CD GLU A 90 30.249 -6.305 13.377 1.00 31.44 C ATOM 947 OE1 GLU A 90 31.131 -6.939 12.752 1.00 75.52 O ATOM 948 OE2 GLU A 90 30.479 -5.222 13.970 1.00 21.45 O1- ATOM 0 H GLU A 90 27.177 -9.980 14.653 1.00 44.04 H new ATOM 0 HA GLU A 90 26.284 -7.262 14.524 1.00 20.12 H new ATOM 0 HB2 GLU A 90 28.443 -7.444 15.239 1.00 53.11 H new ATOM 0 HB3 GLU A 90 28.842 -8.745 14.134 1.00 53.11 H new ATOM 0 HG2 GLU A 90 28.714 -7.228 12.221 1.00 1.02 H new ATOM 0 HG3 GLU A 90 28.156 -5.922 13.249 1.00 1.02 H new ATOM 955 N VAL A 91 26.805 -8.863 11.639 1.00 0.35 N ATOM 956 CA VAL A 91 26.604 -8.694 10.207 1.00 3.34 C ATOM 957 C VAL A 91 25.116 -8.737 9.881 1.00 44.44 C ATOM 958 O VAL A 91 24.642 -7.931 9.084 1.00 64.32 O ATOM 959 CB VAL A 91 27.473 -9.682 9.408 1.00 0.04 C ATOM 960 CG1 VAL A 91 27.162 -11.176 9.581 1.00 33.45 C ATOM 961 CG2 VAL A 91 27.467 -9.307 7.924 1.00 12.23 C ATOM 0 H VAL A 91 27.301 -9.715 11.899 1.00 0.35 H new ATOM 0 HA VAL A 91 26.947 -7.708 9.893 1.00 3.34 H new ATOM 0 HB VAL A 91 28.466 -9.571 9.843 1.00 0.04 H new ATOM 0 HG11 VAL A 91 27.844 -11.763 8.966 1.00 33.45 H new ATOM 0 HG12 VAL A 91 27.286 -11.455 10.627 1.00 33.45 H new ATOM 0 HG13 VAL A 91 26.135 -11.372 9.273 1.00 33.45 H new ATOM 0 HG21 VAL A 91 28.085 -10.012 7.368 1.00 12.23 H new ATOM 0 HG22 VAL A 91 26.446 -9.341 7.544 1.00 12.23 H new ATOM 0 HG23 VAL A 91 27.866 -8.300 7.802 1.00 12.23 H new ATOM 971 N LYS A 92 24.363 -9.602 10.559 1.00 62.50 N ATOM 972 CA LYS A 92 22.911 -9.669 10.472 1.00 44.20 C ATOM 973 C LYS A 92 22.312 -8.329 10.878 1.00 22.53 C ATOM 974 O LYS A 92 21.530 -7.756 10.118 1.00 13.03 O ATOM 975 CB LYS A 92 22.399 -10.859 11.305 1.00 60.20 C ATOM 976 CG LYS A 92 20.967 -11.303 10.961 1.00 74.40 C ATOM 977 CD LYS A 92 19.867 -10.852 11.931 1.00 61.22 C ATOM 978 CE LYS A 92 19.376 -9.429 11.648 1.00 43.22 C ATOM 979 NZ LYS A 92 18.243 -9.064 12.518 1.00 44.11 N1+ ATOM 0 H LYS A 92 24.759 -10.291 11.199 1.00 62.50 H new ATOM 0 HA LYS A 92 22.590 -9.850 9.446 1.00 44.20 H new ATOM 0 HB2 LYS A 92 23.073 -11.704 11.163 1.00 60.20 H new ATOM 0 HB3 LYS A 92 22.440 -10.593 12.361 1.00 60.20 H new ATOM 0 HG2 LYS A 92 20.722 -10.929 9.967 1.00 74.40 H new ATOM 0 HG3 LYS A 92 20.950 -12.391 10.905 1.00 74.40 H new ATOM 0 HD2 LYS A 92 19.026 -11.542 11.866 1.00 61.22 H new ATOM 0 HD3 LYS A 92 20.245 -10.905 12.952 1.00 61.22 H new ATOM 0 HE2 LYS A 92 20.194 -8.724 11.799 1.00 43.22 H new ATOM 0 HE3 LYS A 92 19.075 -9.348 10.604 1.00 43.22 H new ATOM 0 HZ1 LYS A 92 17.936 -8.095 12.300 1.00 44.11 H new ATOM 0 HZ2 LYS A 92 17.454 -9.722 12.355 1.00 44.11 H new ATOM 0 HZ3 LYS A 92 18.539 -9.117 13.514 1.00 44.11 H new ATOM 993 N ALA A 93 22.627 -7.830 12.078 1.00 34.31 N ATOM 994 CA ALA A 93 22.062 -6.578 12.566 1.00 15.22 C ATOM 995 C ALA A 93 22.443 -5.407 11.664 1.00 43.01 C ATOM 996 O ALA A 93 21.592 -4.577 11.347 1.00 20.53 O ATOM 997 CB ALA A 93 22.532 -6.307 13.993 1.00 54.33 C ATOM 0 H ALA A 93 23.273 -8.279 12.727 1.00 34.31 H new ATOM 0 HA ALA A 93 20.977 -6.677 12.556 1.00 15.22 H new ATOM 0 HB1 ALA A 93 22.103 -5.369 14.345 1.00 54.33 H new ATOM 0 HB2 ALA A 93 22.210 -7.120 14.643 1.00 54.33 H new ATOM 0 HB3 ALA A 93 23.620 -6.238 14.011 1.00 54.33 H new ATOM 1003 N ALA A 94 23.713 -5.319 11.278 1.00 52.11 N ATOM 1004 CA ALA A 94 24.260 -4.269 10.443 1.00 22.11 C ATOM 1005 C ALA A 94 23.658 -4.286 9.045 1.00 61.13 C ATOM 1006 O ALA A 94 23.379 -3.207 8.524 1.00 4.35 O ATOM 1007 CB ALA A 94 25.774 -4.431 10.361 1.00 14.32 C ATOM 0 H ALA A 94 24.413 -6.009 11.553 1.00 52.11 H new ATOM 0 HA ALA A 94 24.009 -3.309 10.894 1.00 22.11 H new ATOM 0 HB1 ALA A 94 26.191 -3.643 9.734 1.00 14.32 H new ATOM 0 HB2 ALA A 94 26.202 -4.363 11.361 1.00 14.32 H new ATOM 0 HB3 ALA A 94 26.013 -5.403 9.930 1.00 14.32 H new ATOM 1013 N TYR A 95 23.472 -5.472 8.456 1.00 21.12 N ATOM 1014 CA TYR A 95 22.805 -5.644 7.178 1.00 11.45 C ATOM 1015 C TYR A 95 21.399 -5.077 7.295 1.00 2.45 C ATOM 1016 O TYR A 95 21.046 -4.186 6.528 1.00 32.23 O ATOM 1017 CB TYR A 95 22.772 -7.115 6.727 1.00 24.32 C ATOM 1018 CG TYR A 95 21.943 -7.319 5.470 1.00 22.42 C ATOM 1019 CD1 TYR A 95 22.429 -6.879 4.227 1.00 2.41 C ATOM 1020 CD2 TYR A 95 20.643 -7.856 5.554 1.00 72.34 C ATOM 1021 CE1 TYR A 95 21.616 -6.936 3.082 1.00 64.13 C ATOM 1022 CE2 TYR A 95 19.833 -7.939 4.406 1.00 61.14 C ATOM 1023 CZ TYR A 95 20.312 -7.463 3.163 1.00 14.02 C ATOM 1024 OH TYR A 95 19.532 -7.484 2.043 1.00 74.42 O ATOM 0 H TYR A 95 23.789 -6.350 8.868 1.00 21.12 H new ATOM 0 HA TYR A 95 23.366 -5.108 6.412 1.00 11.45 H new ATOM 0 HB2 TYR A 95 23.790 -7.459 6.547 1.00 24.32 H new ATOM 0 HB3 TYR A 95 22.365 -7.729 7.530 1.00 24.32 H new ATOM 0 HD1 TYR A 95 23.435 -6.494 4.151 1.00 2.41 H new ATOM 0 HD2 TYR A 95 20.266 -8.206 6.504 1.00 72.34 H new ATOM 0 HE1 TYR A 95 21.992 -6.574 2.136 1.00 64.13 H new ATOM 0 HE2 TYR A 95 18.844 -8.367 4.474 1.00 61.14 H new ATOM 0 HH TYR A 95 19.014 -6.654 1.989 1.00 74.42 H new ATOM 1034 N GLU A 96 20.611 -5.535 8.271 1.00 43.02 N ATOM 1035 CA GLU A 96 19.248 -5.054 8.464 1.00 1.15 C ATOM 1036 C GLU A 96 19.230 -3.533 8.616 1.00 33.41 C ATOM 1037 O GLU A 96 18.535 -2.829 7.883 1.00 55.03 O ATOM 1038 CB GLU A 96 18.609 -5.761 9.675 1.00 14.41 C ATOM 1039 CG GLU A 96 17.719 -6.926 9.227 1.00 72.43 C ATOM 1040 CD GLU A 96 16.316 -6.475 8.802 1.00 4.42 C ATOM 1041 OE1 GLU A 96 16.166 -5.444 8.105 1.00 72.44 O ATOM 1042 OE2 GLU A 96 15.343 -7.206 9.093 1.00 75.23 O1- ATOM 0 H GLU A 96 20.901 -6.245 8.944 1.00 43.02 H new ATOM 0 HA GLU A 96 18.653 -5.295 7.583 1.00 1.15 H new ATOM 0 HB2 GLU A 96 19.391 -6.131 10.338 1.00 14.41 H new ATOM 0 HB3 GLU A 96 18.017 -5.046 10.247 1.00 14.41 H new ATOM 0 HG2 GLU A 96 18.197 -7.443 8.395 1.00 72.43 H new ATOM 0 HG3 GLU A 96 17.633 -7.645 10.042 1.00 72.43 H new ATOM 1049 N ALA A 97 20.037 -3.015 9.542 1.00 53.23 N ATOM 1050 CA ALA A 97 20.155 -1.595 9.807 1.00 64.40 C ATOM 1051 C ALA A 97 20.413 -0.825 8.511 1.00 21.24 C ATOM 1052 O ALA A 97 19.569 -0.018 8.137 1.00 44.14 O ATOM 1053 CB ALA A 97 21.228 -1.370 10.874 1.00 2.14 C ATOM 0 H ALA A 97 20.636 -3.588 10.137 1.00 53.23 H new ATOM 0 HA ALA A 97 19.218 -1.204 10.203 1.00 64.40 H new ATOM 0 HB1 ALA A 97 21.321 -0.303 11.077 1.00 2.14 H new ATOM 0 HB2 ALA A 97 20.946 -1.891 11.789 1.00 2.14 H new ATOM 0 HB3 ALA A 97 22.183 -1.756 10.517 1.00 2.14 H new ATOM 1059 N ALA A 98 21.522 -1.090 7.812 1.00 51.42 N ATOM 1060 CA ALA A 98 21.889 -0.397 6.577 1.00 62.30 C ATOM 1061 C ALA A 98 20.852 -0.614 5.461 1.00 73.13 C ATOM 1062 O ALA A 98 20.591 0.310 4.691 1.00 60.50 O ATOM 1063 CB ALA A 98 23.287 -0.846 6.140 1.00 55.40 C ATOM 0 H ALA A 98 22.197 -1.801 8.093 1.00 51.42 H new ATOM 0 HA ALA A 98 21.903 0.675 6.773 1.00 62.30 H new ATOM 0 HB1 ALA A 98 23.563 -0.331 5.220 1.00 55.40 H new ATOM 0 HB2 ALA A 98 24.008 -0.604 6.921 1.00 55.40 H new ATOM 0 HB3 ALA A 98 23.286 -1.922 5.967 1.00 55.40 H new ATOM 1069 N PHE A 99 20.221 -1.792 5.387 1.00 41.21 N ATOM 1070 CA PHE A 99 19.221 -2.121 4.377 1.00 32.33 C ATOM 1071 C PHE A 99 18.036 -1.164 4.493 1.00 53.14 C ATOM 1072 O PHE A 99 17.810 -0.371 3.575 1.00 53.24 O ATOM 1073 CB PHE A 99 18.786 -3.596 4.470 1.00 21.22 C ATOM 1074 CG PHE A 99 17.665 -3.978 3.518 1.00 42.31 C ATOM 1075 CD1 PHE A 99 17.956 -4.409 2.209 1.00 4.22 C ATOM 1076 CD2 PHE A 99 16.321 -3.883 3.929 1.00 35.34 C ATOM 1077 CE1 PHE A 99 16.913 -4.738 1.323 1.00 35.54 C ATOM 1078 CE2 PHE A 99 15.279 -4.206 3.043 1.00 12.12 C ATOM 1079 CZ PHE A 99 15.574 -4.635 1.739 1.00 53.24 C ATOM 0 H PHE A 99 20.398 -2.554 6.042 1.00 41.21 H new ATOM 0 HA PHE A 99 19.665 -1.995 3.390 1.00 32.33 H new ATOM 0 HB2 PHE A 99 19.649 -4.231 4.270 1.00 21.22 H new ATOM 0 HB3 PHE A 99 18.467 -3.805 5.491 1.00 21.22 H new ATOM 0 HD1 PHE A 99 18.983 -4.487 1.884 1.00 4.22 H new ATOM 0 HD2 PHE A 99 16.089 -3.559 4.933 1.00 35.34 H new ATOM 0 HE1 PHE A 99 17.142 -5.070 0.321 1.00 35.54 H new ATOM 0 HE2 PHE A 99 14.251 -4.124 3.365 1.00 12.12 H new ATOM 0 HZ PHE A 99 14.774 -4.885 1.057 1.00 53.24 H new ATOM 1089 N ASN A 100 17.298 -1.212 5.614 1.00 64.33 N ATOM 1090 CA ASN A 100 16.133 -0.358 5.793 1.00 11.24 C ATOM 1091 C ASN A 100 16.577 1.092 5.859 1.00 23.31 C ATOM 1092 O ASN A 100 15.828 1.970 5.450 1.00 72.20 O ATOM 1093 CB ASN A 100 15.354 -0.644 7.082 1.00 62.42 C ATOM 1094 CG ASN A 100 15.044 -2.096 7.362 1.00 11.03 C ATOM 1095 OD1 ASN A 100 14.107 -2.703 6.848 1.00 52.13 O ATOM 1096 ND2 ASN A 100 15.866 -2.678 8.201 1.00 55.21 N ATOM 0 H ASN A 100 17.493 -1.832 6.400 1.00 64.33 H new ATOM 0 HA ASN A 100 15.481 -0.561 4.944 1.00 11.24 H new ATOM 0 HB2 ASN A 100 15.923 -0.246 7.922 1.00 62.42 H new ATOM 0 HB3 ASN A 100 14.414 -0.093 7.044 1.00 62.42 H new ATOM 0 HD21 ASN A 100 15.737 -3.660 8.443 1.00 55.21 H new ATOM 0 HD22 ASN A 100 16.635 -2.148 8.612 1.00 55.21 H new ATOM 1103 N ASN A 101 17.788 1.362 6.371 1.00 43.02 N ATOM 1104 CA ASN A 101 18.311 2.708 6.497 1.00 15.04 C ATOM 1105 C ASN A 101 18.282 3.386 5.138 1.00 24.44 C ATOM 1106 O ASN A 101 17.769 4.498 5.022 1.00 62.31 O ATOM 1107 CB ASN A 101 19.758 2.701 7.006 1.00 20.11 C ATOM 1108 CG ASN A 101 20.470 4.022 6.798 1.00 44.02 C ATOM 1109 OD1 ASN A 101 20.417 4.909 7.640 1.00 15.13 O ATOM 1110 ND2 ASN A 101 21.168 4.166 5.685 1.00 12.23 N ATOM 0 H ASN A 101 18.426 0.641 6.707 1.00 43.02 H new ATOM 0 HA ASN A 101 17.690 3.245 7.214 1.00 15.04 H new ATOM 0 HB2 ASN A 101 19.761 2.457 8.068 1.00 20.11 H new ATOM 0 HB3 ASN A 101 20.312 1.913 6.496 1.00 20.11 H new ATOM 0 HD21 ASN A 101 21.679 5.032 5.512 1.00 12.23 H new ATOM 0 HD22 ASN A 101 21.196 3.411 4.999 1.00 12.23 H new ATOM 1117 N ALA A 102 18.877 2.713 4.145 1.00 71.30 N ATOM 1118 CA ALA A 102 18.985 3.195 2.785 1.00 33.12 C ATOM 1119 C ALA A 102 17.604 3.226 2.139 1.00 15.43 C ATOM 1120 O ALA A 102 17.264 4.224 1.516 1.00 33.55 O ATOM 1121 CB ALA A 102 19.959 2.309 2.004 1.00 34.25 C ATOM 0 H ALA A 102 19.304 1.796 4.281 1.00 71.30 H new ATOM 0 HA ALA A 102 19.377 4.212 2.778 1.00 33.12 H new ATOM 0 HB1 ALA A 102 20.040 2.672 0.980 1.00 34.25 H new ATOM 0 HB2 ALA A 102 20.940 2.340 2.479 1.00 34.25 H new ATOM 0 HB3 ALA A 102 19.592 1.283 1.997 1.00 34.25 H new ATOM 1127 N PHE A 103 16.790 2.176 2.308 1.00 62.50 N ATOM 1128 CA PHE A 103 15.453 2.121 1.719 1.00 62.44 C ATOM 1129 C PHE A 103 14.633 3.333 2.177 1.00 13.01 C ATOM 1130 O PHE A 103 14.038 4.035 1.357 1.00 54.34 O ATOM 1131 CB PHE A 103 14.773 0.788 2.074 1.00 31.45 C ATOM 1132 CG PHE A 103 13.780 0.284 1.040 1.00 44.13 C ATOM 1133 CD1 PHE A 103 12.629 1.031 0.711 1.00 61.31 C ATOM 1134 CD2 PHE A 103 14.000 -0.957 0.411 1.00 21.44 C ATOM 1135 CE1 PHE A 103 11.725 0.552 -0.255 1.00 34.12 C ATOM 1136 CE2 PHE A 103 13.084 -1.444 -0.535 1.00 52.40 C ATOM 1137 CZ PHE A 103 11.954 -0.682 -0.886 1.00 73.21 C ATOM 0 H PHE A 103 17.040 1.350 2.852 1.00 62.50 H new ATOM 0 HA PHE A 103 15.526 2.166 0.632 1.00 62.44 H new ATOM 0 HB2 PHE A 103 15.543 0.030 2.217 1.00 31.45 H new ATOM 0 HB3 PHE A 103 14.257 0.902 3.027 1.00 31.45 H new ATOM 0 HD1 PHE A 103 12.441 1.974 1.203 1.00 61.31 H new ATOM 0 HD2 PHE A 103 14.877 -1.537 0.658 1.00 21.44 H new ATOM 0 HE1 PHE A 103 10.853 1.135 -0.512 1.00 34.12 H new ATOM 0 HE2 PHE A 103 13.247 -2.407 -0.995 1.00 52.40 H new ATOM 0 HZ PHE A 103 11.267 -1.044 -1.636 1.00 73.21 H new ATOM 1147 N ASN A 104 14.633 3.605 3.485 1.00 12.43 N ATOM 1148 CA ASN A 104 14.023 4.789 4.067 1.00 11.22 C ATOM 1149 C ASN A 104 14.674 6.061 3.530 1.00 1.33 C ATOM 1150 O ASN A 104 13.941 6.962 3.133 1.00 30.54 O ATOM 1151 CB ASN A 104 14.096 4.764 5.602 1.00 44.13 C ATOM 1152 CG ASN A 104 13.900 6.166 6.166 1.00 51.21 C ATOM 1153 OD1 ASN A 104 14.831 6.753 6.703 1.00 64.43 O ATOM 1154 ND2 ASN A 104 12.738 6.770 5.973 1.00 31.51 N ATOM 0 H ASN A 104 15.067 2.993 4.176 1.00 12.43 H new ATOM 0 HA ASN A 104 12.972 4.786 3.777 1.00 11.22 H new ATOM 0 HB2 ASN A 104 13.331 4.096 5.998 1.00 44.13 H new ATOM 0 HB3 ASN A 104 15.061 4.369 5.920 1.00 44.13 H new ATOM 0 HD21 ASN A 104 12.610 7.736 6.273 1.00 31.51 H new ATOM 0 HD22 ASN A 104 11.971 6.269 5.524 1.00 31.51 H new ATOM 1161 N ALA A 105 16.005 6.171 3.545 1.00 4.03 N ATOM 1162 CA ALA A 105 16.720 7.382 3.150 1.00 12.15 C ATOM 1163 C ALA A 105 16.334 7.790 1.732 1.00 31.12 C ATOM 1164 O ALA A 105 15.893 8.915 1.514 1.00 41.01 O ATOM 1165 CB ALA A 105 18.233 7.172 3.250 1.00 13.12 C ATOM 0 H ALA A 105 16.621 5.412 3.835 1.00 4.03 H new ATOM 0 HA ALA A 105 16.438 8.184 3.832 1.00 12.15 H new ATOM 0 HB1 ALA A 105 18.748 8.085 2.952 1.00 13.12 H new ATOM 0 HB2 ALA A 105 18.499 6.925 4.278 1.00 13.12 H new ATOM 0 HB3 ALA A 105 18.531 6.356 2.592 1.00 13.12 H new ATOM 1171 N VAL A 106 16.451 6.864 0.783 1.00 51.23 N ATOM 1172 CA VAL A 106 16.070 7.030 -0.612 1.00 65.21 C ATOM 1173 C VAL A 106 14.598 7.449 -0.688 1.00 41.24 C ATOM 1174 O VAL A 106 14.277 8.482 -1.277 1.00 65.54 O ATOM 1175 CB VAL A 106 16.358 5.707 -1.351 1.00 44.10 C ATOM 1176 CG1 VAL A 106 15.853 5.727 -2.794 1.00 42.21 C ATOM 1177 CG2 VAL A 106 17.857 5.366 -1.381 1.00 65.13 C ATOM 0 H VAL A 106 16.831 5.938 0.977 1.00 51.23 H new ATOM 0 HA VAL A 106 16.647 7.817 -1.096 1.00 65.21 H new ATOM 0 HB VAL A 106 15.821 4.947 -0.784 1.00 44.10 H new ATOM 0 HG11 VAL A 106 16.079 4.774 -3.272 1.00 42.21 H new ATOM 0 HG12 VAL A 106 14.775 5.889 -2.800 1.00 42.21 H new ATOM 0 HG13 VAL A 106 16.344 6.532 -3.340 1.00 42.21 H new ATOM 0 HG21 VAL A 106 18.006 4.426 -1.912 1.00 65.13 H new ATOM 0 HG22 VAL A 106 18.401 6.161 -1.891 1.00 65.13 H new ATOM 0 HG23 VAL A 106 18.229 5.269 -0.361 1.00 65.13 H new ATOM 1187 N ARG A 107 13.692 6.680 -0.071 1.00 13.01 N ATOM 1188 CA ARG A 107 12.258 6.975 -0.065 1.00 24.33 C ATOM 1189 C ARG A 107 12.003 8.394 0.470 1.00 53.23 C ATOM 1190 O ARG A 107 11.224 9.128 -0.142 1.00 32.43 O ATOM 1191 CB ARG A 107 11.533 5.840 0.695 1.00 71.14 C ATOM 1192 CG ARG A 107 10.032 6.025 0.957 1.00 32.52 C ATOM 1193 CD ARG A 107 9.626 5.799 2.420 1.00 73.41 C ATOM 1194 NE ARG A 107 9.545 4.377 2.820 1.00 23.33 N ATOM 1195 CZ ARG A 107 8.614 3.845 3.633 1.00 62.21 C ATOM 1196 NH1 ARG A 107 7.498 4.502 3.927 1.00 53.01 N1+ ATOM 1197 NH2 ARG A 107 8.825 2.663 4.189 1.00 44.04 N ATOM 0 H ARG A 107 13.937 5.832 0.440 1.00 13.01 H new ATOM 0 HA ARG A 107 11.842 6.990 -1.072 1.00 24.33 H new ATOM 0 HB2 ARG A 107 11.667 4.916 0.133 1.00 71.14 H new ATOM 0 HB3 ARG A 107 12.030 5.704 1.655 1.00 71.14 H new ATOM 0 HG2 ARG A 107 9.743 7.033 0.661 1.00 32.52 H new ATOM 0 HG3 ARG A 107 9.474 5.335 0.324 1.00 32.52 H new ATOM 0 HD2 ARG A 107 10.344 6.305 3.066 1.00 73.41 H new ATOM 0 HD3 ARG A 107 8.657 6.268 2.592 1.00 73.41 H new ATOM 0 HE ARG A 107 10.255 3.746 2.448 1.00 23.33 H new ATOM 0 HH11 ARG A 107 7.333 5.429 3.534 1.00 53.01 H new ATOM 0 HH12 ARG A 107 6.806 4.080 4.546 1.00 53.01 H new ATOM 0 HH21 ARG A 107 9.691 2.158 4.001 1.00 44.04 H new ATOM 0 HH22 ARG A 107 8.122 2.257 4.806 1.00 44.04 H new ATOM 1211 N ASN A 108 12.662 8.813 1.557 1.00 70.32 N ATOM 1212 CA ASN A 108 12.546 10.167 2.093 1.00 43.34 C ATOM 1213 C ASN A 108 13.068 11.191 1.085 1.00 53.30 C ATOM 1214 O ASN A 108 12.399 12.186 0.824 1.00 61.22 O ATOM 1215 CB ASN A 108 13.272 10.387 3.429 1.00 23.14 C ATOM 1216 CG ASN A 108 13.124 11.855 3.855 1.00 51.02 C ATOM 1217 OD1 ASN A 108 14.084 12.617 3.900 1.00 70.31 O ATOM 1218 ND2 ASN A 108 11.909 12.308 4.141 1.00 41.30 N ATOM 0 H ASN A 108 13.294 8.215 2.090 1.00 70.32 H new ATOM 0 HA ASN A 108 11.481 10.303 2.280 1.00 43.34 H new ATOM 0 HB2 ASN A 108 12.856 9.731 4.194 1.00 23.14 H new ATOM 0 HB3 ASN A 108 14.327 10.131 3.329 1.00 23.14 H new ATOM 0 HD21 ASN A 108 11.777 13.286 4.397 1.00 41.30 H new ATOM 0 HD22 ASN A 108 11.108 11.678 4.105 1.00 41.30 H new ATOM 1225 N LYS A 109 14.266 10.983 0.537 1.00 24.11 N ATOM 1226 CA LYS A 109 14.915 11.923 -0.371 1.00 34.35 C ATOM 1227 C LYS A 109 14.019 12.175 -1.583 1.00 4.02 C ATOM 1228 O LYS A 109 13.728 13.336 -1.883 1.00 14.44 O ATOM 1229 CB LYS A 109 16.298 11.377 -0.772 1.00 3.33 C ATOM 1230 CG LYS A 109 17.251 12.474 -1.276 1.00 4.11 C ATOM 1231 CD LYS A 109 18.271 12.910 -0.215 1.00 30.51 C ATOM 1232 CE LYS A 109 17.652 13.535 1.038 1.00 31.53 C ATOM 1233 NZ LYS A 109 18.610 13.525 2.164 1.00 23.24 N1+ ATOM 0 H LYS A 109 14.819 10.144 0.715 1.00 24.11 H new ATOM 0 HA LYS A 109 15.068 12.882 0.125 1.00 34.35 H new ATOM 0 HB2 LYS A 109 16.748 10.877 0.086 1.00 3.33 H new ATOM 0 HB3 LYS A 109 16.174 10.624 -1.551 1.00 3.33 H new ATOM 0 HG2 LYS A 109 17.782 12.111 -2.156 1.00 4.11 H new ATOM 0 HG3 LYS A 109 16.668 13.340 -1.590 1.00 4.11 H new ATOM 0 HD2 LYS A 109 18.863 12.044 0.080 1.00 30.51 H new ATOM 0 HD3 LYS A 109 18.958 13.628 -0.663 1.00 30.51 H new ATOM 0 HE2 LYS A 109 17.347 14.559 0.825 1.00 31.53 H new ATOM 0 HE3 LYS A 109 16.753 12.986 1.316 1.00 31.53 H new ATOM 0 HZ1 LYS A 109 18.166 13.954 3.001 1.00 23.24 H new ATOM 0 HZ2 LYS A 109 18.882 12.545 2.380 1.00 23.24 H new ATOM 0 HZ3 LYS A 109 19.457 14.069 1.904 1.00 23.24 H new ATOM 1247 N TYR A 110 13.527 11.108 -2.213 1.00 74.12 N ATOM 1248 CA TYR A 110 12.604 11.208 -3.327 1.00 4.21 C ATOM 1249 C TYR A 110 11.332 11.950 -2.918 1.00 13.04 C ATOM 1250 O TYR A 110 10.966 12.893 -3.613 1.00 5.05 O ATOM 1251 CB TYR A 110 12.308 9.828 -3.934 1.00 70.52 C ATOM 1252 CG TYR A 110 13.225 9.469 -5.094 1.00 23.15 C ATOM 1253 CD1 TYR A 110 13.167 10.235 -6.273 1.00 70.20 C ATOM 1254 CD2 TYR A 110 14.108 8.372 -5.022 1.00 3.04 C ATOM 1255 CE1 TYR A 110 13.976 9.908 -7.373 1.00 25.33 C ATOM 1256 CE2 TYR A 110 14.900 8.021 -6.136 1.00 70.34 C ATOM 1257 CZ TYR A 110 14.827 8.782 -7.327 1.00 53.43 C ATOM 1258 OH TYR A 110 15.578 8.468 -8.424 1.00 14.13 O ATOM 0 H TYR A 110 13.763 10.149 -1.958 1.00 74.12 H new ATOM 0 HA TYR A 110 13.079 11.797 -4.111 1.00 4.21 H new ATOM 0 HB2 TYR A 110 12.403 9.069 -3.157 1.00 70.52 H new ATOM 0 HB3 TYR A 110 11.274 9.805 -4.277 1.00 70.52 H new ATOM 0 HD1 TYR A 110 12.496 11.079 -6.332 1.00 70.20 H new ATOM 0 HD2 TYR A 110 14.179 7.798 -4.110 1.00 3.04 H new ATOM 0 HE1 TYR A 110 13.947 10.522 -8.261 1.00 25.33 H new ATOM 0 HE2 TYR A 110 15.563 7.170 -6.080 1.00 70.34 H new ATOM 0 HH TYR A 110 15.188 7.691 -8.876 1.00 14.13 H new ATOM 1268 N VAL A 111 10.653 11.592 -1.816 1.00 53.24 N ATOM 1269 CA VAL A 111 9.394 12.269 -1.477 1.00 61.54 C ATOM 1270 C VAL A 111 9.614 13.749 -1.163 1.00 31.51 C ATOM 1271 O VAL A 111 8.827 14.587 -1.604 1.00 31.51 O ATOM 1272 CB VAL A 111 8.597 11.515 -0.395 1.00 23.35 C ATOM 1273 CG1 VAL A 111 9.196 11.553 1.011 1.00 63.52 C ATOM 1274 CG2 VAL A 111 7.175 12.067 -0.290 1.00 33.51 C ATOM 0 H VAL A 111 10.943 10.862 -1.165 1.00 53.24 H new ATOM 0 HA VAL A 111 8.760 12.246 -2.364 1.00 61.54 H new ATOM 0 HB VAL A 111 8.622 10.479 -0.734 1.00 23.35 H new ATOM 0 HG11 VAL A 111 8.557 10.993 1.694 1.00 63.52 H new ATOM 0 HG12 VAL A 111 10.190 11.106 0.995 1.00 63.52 H new ATOM 0 HG13 VAL A 111 9.268 12.587 1.348 1.00 63.52 H new ATOM 0 HG21 VAL A 111 6.629 11.521 0.479 1.00 33.51 H new ATOM 0 HG22 VAL A 111 7.214 13.124 -0.027 1.00 33.51 H new ATOM 0 HG23 VAL A 111 6.668 11.950 -1.248 1.00 33.51 H new ATOM 1284 N GLN A 112 10.697 14.084 -0.456 1.00 51.14 N ATOM 1285 CA GLN A 112 11.086 15.463 -0.180 1.00 21.15 C ATOM 1286 C GLN A 112 11.187 16.228 -1.500 1.00 63.13 C ATOM 1287 O GLN A 112 10.559 17.273 -1.643 1.00 51.34 O ATOM 1288 CB GLN A 112 12.440 15.506 0.553 1.00 5.22 C ATOM 1289 CG GLN A 112 12.417 15.076 2.028 1.00 1.01 C ATOM 1290 CD GLN A 112 11.994 16.136 3.040 1.00 12.05 C ATOM 1291 OE1 GLN A 112 11.440 15.794 4.073 1.00 21.15 O ATOM 1292 NE2 GLN A 112 12.301 17.413 2.859 1.00 13.42 N ATOM 0 H GLN A 112 11.333 13.394 -0.056 1.00 51.14 H new ATOM 0 HA GLN A 112 10.334 15.925 0.459 1.00 21.15 H new ATOM 0 HB2 GLN A 112 13.141 14.865 0.018 1.00 5.22 H new ATOM 0 HB3 GLN A 112 12.830 16.522 0.497 1.00 5.22 H new ATOM 0 HG2 GLN A 112 11.744 14.224 2.125 1.00 1.01 H new ATOM 0 HG3 GLN A 112 13.414 14.726 2.297 1.00 1.01 H new ATOM 0 HE21 GLN A 112 12.764 17.709 2.000 1.00 13.42 H new ATOM 0 HE22 GLN A 112 12.074 18.099 3.579 1.00 13.42 H new ATOM 1301 N ARG A 113 11.943 15.709 -2.482 1.00 25.35 N ATOM 1302 CA ARG A 113 12.028 16.331 -3.804 1.00 1.42 C ATOM 1303 C ARG A 113 10.630 16.438 -4.411 1.00 72.14 C ATOM 1304 O ARG A 113 10.220 17.544 -4.757 1.00 32.53 O ATOM 1305 CB ARG A 113 12.982 15.566 -4.743 1.00 45.31 C ATOM 1306 CG ARG A 113 14.465 15.709 -4.360 1.00 24.44 C ATOM 1307 CD ARG A 113 15.390 14.923 -5.305 1.00 10.03 C ATOM 1308 NE ARG A 113 15.479 15.527 -6.650 1.00 72.23 N ATOM 1309 CZ ARG A 113 16.455 15.283 -7.541 1.00 70.11 C ATOM 1310 NH1 ARG A 113 17.425 14.420 -7.281 1.00 13.42 N1+ ATOM 1311 NH2 ARG A 113 16.488 15.918 -8.708 1.00 25.25 N ATOM 0 H ARG A 113 12.501 14.861 -2.381 1.00 25.35 H new ATOM 0 HA ARG A 113 12.444 17.331 -3.683 1.00 1.42 H new ATOM 0 HB2 ARG A 113 12.714 14.509 -4.738 1.00 45.31 H new ATOM 0 HB3 ARG A 113 12.842 15.926 -5.762 1.00 45.31 H new ATOM 0 HG2 ARG A 113 14.742 16.763 -4.377 1.00 24.44 H new ATOM 0 HG3 ARG A 113 14.610 15.358 -3.338 1.00 24.44 H new ATOM 0 HD2 ARG A 113 16.387 14.870 -4.869 1.00 10.03 H new ATOM 0 HD3 ARG A 113 15.026 13.899 -5.394 1.00 10.03 H new ATOM 0 HE ARG A 113 14.744 16.179 -6.923 1.00 72.23 H new ATOM 0 HH11 ARG A 113 17.442 13.925 -6.389 1.00 13.42 H new ATOM 0 HH12 ARG A 113 18.156 14.250 -7.972 1.00 13.42 H new ATOM 0 HH21 ARG A 113 15.766 16.601 -8.937 1.00 25.25 H new ATOM 0 HH22 ARG A 113 17.235 15.722 -9.374 1.00 25.25 H new ATOM 1325 N PHE A 114 9.910 15.320 -4.537 1.00 21.35 N ATOM 1326 CA PHE A 114 8.625 15.216 -5.223 1.00 71.52 C ATOM 1327 C PHE A 114 7.672 16.297 -4.718 1.00 11.22 C ATOM 1328 O PHE A 114 7.288 17.182 -5.484 1.00 3.45 O ATOM 1329 CB PHE A 114 8.058 13.787 -5.064 1.00 64.21 C ATOM 1330 CG PHE A 114 6.761 13.469 -5.800 1.00 43.23 C ATOM 1331 CD1 PHE A 114 6.534 13.960 -7.103 1.00 32.33 C ATOM 1332 CD2 PHE A 114 5.806 12.607 -5.221 1.00 33.33 C ATOM 1333 CE1 PHE A 114 5.367 13.614 -7.805 1.00 73.14 C ATOM 1334 CE2 PHE A 114 4.647 12.246 -5.931 1.00 33.14 C ATOM 1335 CZ PHE A 114 4.424 12.749 -7.223 1.00 62.43 C ATOM 0 H PHE A 114 10.221 14.430 -4.148 1.00 21.35 H new ATOM 0 HA PHE A 114 8.756 15.388 -6.291 1.00 71.52 H new ATOM 0 HB2 PHE A 114 8.819 13.082 -5.399 1.00 64.21 H new ATOM 0 HB3 PHE A 114 7.898 13.603 -4.002 1.00 64.21 H new ATOM 0 HD1 PHE A 114 7.264 14.608 -7.565 1.00 32.33 H new ATOM 0 HD2 PHE A 114 5.966 12.221 -4.225 1.00 33.33 H new ATOM 0 HE1 PHE A 114 5.194 14.013 -8.793 1.00 73.14 H new ATOM 0 HE2 PHE A 114 3.926 11.580 -5.481 1.00 33.14 H new ATOM 0 HZ PHE A 114 3.533 12.473 -7.767 1.00 62.43 H new ATOM 1345 N GLN A 115 7.328 16.267 -3.432 1.00 22.54 N ATOM 1346 CA GLN A 115 6.441 17.211 -2.807 1.00 2.32 C ATOM 1347 C GLN A 115 6.988 18.629 -2.826 1.00 71.34 C ATOM 1348 O GLN A 115 6.202 19.508 -3.144 1.00 70.34 O ATOM 1349 CB GLN A 115 6.067 16.674 -1.413 1.00 43.01 C ATOM 1350 CG GLN A 115 4.552 16.451 -1.357 1.00 42.32 C ATOM 1351 CD GLN A 115 4.069 15.339 -0.424 1.00 52.01 C ATOM 1352 OE1 GLN A 115 3.061 14.699 -0.706 1.00 42.44 O ATOM 1353 NE2 GLN A 115 4.775 15.020 0.651 1.00 12.23 N ATOM 0 H GLN A 115 7.677 15.558 -2.787 1.00 22.54 H new ATOM 0 HA GLN A 115 5.520 17.302 -3.382 1.00 2.32 H new ATOM 0 HB2 GLN A 115 6.593 15.740 -1.215 1.00 43.01 H new ATOM 0 HB3 GLN A 115 6.373 17.381 -0.642 1.00 43.01 H new ATOM 0 HG2 GLN A 115 4.079 17.384 -1.052 1.00 42.32 H new ATOM 0 HG3 GLN A 115 4.200 16.230 -2.365 1.00 42.32 H new ATOM 0 HE21 GLN A 115 5.613 15.551 0.887 1.00 12.23 H new ATOM 0 HE22 GLN A 115 4.480 14.243 1.243 1.00 12.23 H new