USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=7 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 104 ASN : amide:sc= 1.09 K(o=1.9,f=0.21) USER MOD Set 1.2: A 108 ASN : amide:sc= 0.83 K(o=1.9,f=0.21) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.129 X(o=-0.13,f=-0.5) 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= -0.0217 X(o=-0.022,f=-0.025) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 129:sc= 1.27 (180deg=-0.304) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.278 K(o=0.28,f=-0.67) USER MOD Single : A 101 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 30:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.244 K(o=0.24,f=-0.35) USER MOD Single : A 115 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 393 N VAL A 50 1.796 10.480 -1.874 1.00 2.20 N ATOM 394 CA VAL A 50 3.048 9.856 -1.482 1.00 64.21 C ATOM 395 C VAL A 50 3.102 8.410 -1.965 1.00 13.21 C ATOM 396 O VAL A 50 4.081 8.024 -2.615 1.00 4.23 O ATOM 397 CB VAL A 50 3.261 9.999 0.036 1.00 30.33 C ATOM 398 CG1 VAL A 50 4.494 9.247 0.539 1.00 34.42 C ATOM 399 CG2 VAL A 50 3.379 11.487 0.396 1.00 33.41 C ATOM 0 HA VAL A 50 3.879 10.370 -1.965 1.00 64.21 H new ATOM 0 HB VAL A 50 2.396 9.553 0.527 1.00 30.33 H new ATOM 0 HG11 VAL A 50 4.591 9.386 1.616 1.00 34.42 H new ATOM 0 HG12 VAL A 50 4.388 8.185 0.318 1.00 34.42 H new ATOM 0 HG13 VAL A 50 5.384 9.634 0.042 1.00 34.42 H new ATOM 0 HG21 VAL A 50 3.530 11.591 1.471 1.00 33.41 H new ATOM 0 HG22 VAL A 50 4.226 11.923 -0.133 1.00 33.41 H new ATOM 0 HG23 VAL A 50 2.465 12.005 0.106 1.00 33.41 H new ATOM 409 N ASN A 51 2.094 7.609 -1.618 1.00 11.23 N ATOM 410 CA ASN A 51 2.141 6.163 -1.789 1.00 10.13 C ATOM 411 C ASN A 51 2.197 5.774 -3.267 1.00 51.21 C ATOM 412 O ASN A 51 2.832 4.774 -3.595 1.00 21.12 O ATOM 413 CB ASN A 51 0.967 5.485 -1.056 1.00 2.34 C ATOM 414 CG ASN A 51 -0.149 5.006 -1.969 1.00 25.42 C ATOM 415 OD1 ASN A 51 -0.271 3.813 -2.218 1.00 63.24 O ATOM 416 ND2 ASN A 51 -0.976 5.889 -2.490 1.00 31.15 N ATOM 0 H ASN A 51 1.223 7.948 -1.210 1.00 11.23 H new ATOM 0 HA ASN A 51 3.063 5.800 -1.335 1.00 10.13 H new ATOM 0 HB2 ASN A 51 1.349 4.634 -0.492 1.00 2.34 H new ATOM 0 HB3 ASN A 51 0.552 6.187 -0.332 1.00 2.34 H new ATOM 0 HD21 ASN A 51 -1.727 5.582 -3.108 1.00 31.15 H new ATOM 0 HD22 ASN A 51 -0.865 6.880 -2.276 1.00 31.15 H new ATOM 423 N GLU A 52 1.615 6.586 -4.156 1.00 65.21 N ATOM 424 CA GLU A 52 1.690 6.331 -5.595 1.00 14.55 C ATOM 425 C GLU A 52 3.133 6.484 -6.065 1.00 41.20 C ATOM 426 O GLU A 52 3.596 5.711 -6.900 1.00 14.35 O ATOM 427 CB GLU A 52 0.807 7.283 -6.419 1.00 12.21 C ATOM 428 CG GLU A 52 -0.667 6.864 -6.522 1.00 44.14 C ATOM 429 CD GLU A 52 -1.252 7.169 -7.909 1.00 14.32 C ATOM 430 OE1 GLU A 52 -1.077 8.300 -8.430 1.00 12.42 O1- ATOM 431 OE2 GLU A 52 -1.889 6.269 -8.502 1.00 71.01 O ATOM 0 H GLU A 52 1.089 7.422 -3.904 1.00 65.21 H new ATOM 0 HA GLU A 52 1.326 5.316 -5.753 1.00 14.55 H new ATOM 0 HB2 GLU A 52 0.858 8.278 -5.977 1.00 12.21 H new ATOM 0 HB3 GLU A 52 1.220 7.360 -7.425 1.00 12.21 H new ATOM 0 HG2 GLU A 52 -0.757 5.797 -6.316 1.00 44.14 H new ATOM 0 HG3 GLU A 52 -1.247 7.385 -5.760 1.00 44.14 H new ATOM 438 N TYR A 53 3.859 7.474 -5.545 1.00 32.35 N ATOM 439 CA TYR A 53 5.248 7.695 -5.908 1.00 45.32 C ATOM 440 C TYR A 53 6.123 6.559 -5.361 1.00 64.04 C ATOM 441 O TYR A 53 7.027 6.084 -6.052 1.00 24.05 O ATOM 442 CB TYR A 53 5.694 9.073 -5.411 1.00 43.20 C ATOM 443 CG TYR A 53 6.653 9.789 -6.333 1.00 2.22 C ATOM 444 CD1 TYR A 53 6.137 10.475 -7.445 1.00 10.55 C ATOM 445 CD2 TYR A 53 8.038 9.807 -6.067 1.00 34.34 C ATOM 446 CE1 TYR A 53 6.995 11.191 -8.289 1.00 23.32 C ATOM 447 CE2 TYR A 53 8.906 10.523 -6.918 1.00 21.05 C ATOM 448 CZ TYR A 53 8.382 11.217 -8.036 1.00 44.30 C ATOM 449 OH TYR A 53 9.186 11.920 -8.880 1.00 2.11 O ATOM 0 H TYR A 53 3.497 8.140 -4.863 1.00 32.35 H new ATOM 0 HA TYR A 53 5.358 7.686 -6.992 1.00 45.32 H new ATOM 0 HB2 TYR A 53 4.812 9.697 -5.268 1.00 43.20 H new ATOM 0 HB3 TYR A 53 6.165 8.959 -4.435 1.00 43.20 H new ATOM 0 HD1 TYR A 53 5.077 10.450 -7.649 1.00 10.55 H new ATOM 0 HD2 TYR A 53 8.433 9.274 -5.214 1.00 34.34 H new ATOM 0 HE1 TYR A 53 6.593 11.725 -9.137 1.00 23.32 H new ATOM 0 HE2 TYR A 53 9.967 10.542 -6.718 1.00 21.05 H new ATOM 0 HH TYR A 53 10.116 11.849 -8.581 1.00 2.11 H new ATOM 459 N LEU A 54 5.845 6.107 -4.131 1.00 4.24 N ATOM 460 CA LEU A 54 6.562 5.000 -3.486 1.00 51.54 C ATOM 461 C LEU A 54 6.300 3.666 -4.177 1.00 21.43 C ATOM 462 O LEU A 54 7.168 2.796 -4.099 1.00 13.52 O ATOM 463 CB LEU A 54 6.168 4.869 -2.004 1.00 62.33 C ATOM 464 CG LEU A 54 6.531 6.075 -1.124 1.00 13.51 C ATOM 465 CD1 LEU A 54 6.373 5.741 0.360 1.00 50.51 C ATOM 466 CD2 LEU A 54 7.951 6.598 -1.392 1.00 54.40 C ATOM 0 H LEU A 54 5.107 6.505 -3.550 1.00 4.24 H new ATOM 0 HA LEU A 54 7.622 5.238 -3.568 1.00 51.54 H new ATOM 0 HB2 LEU A 54 5.092 4.705 -1.943 1.00 62.33 H new ATOM 0 HB3 LEU A 54 6.649 3.981 -1.593 1.00 62.33 H new ATOM 0 HG LEU A 54 5.832 6.868 -1.391 1.00 13.51 H new ATOM 0 HD11 LEU A 54 6.637 6.613 0.959 1.00 50.51 H new ATOM 0 HD12 LEU A 54 5.339 5.461 0.562 1.00 50.51 H new ATOM 0 HD13 LEU A 54 7.031 4.911 0.618 1.00 50.51 H new ATOM 0 HD21 LEU A 54 8.154 7.450 -0.743 1.00 54.40 H new ATOM 0 HD22 LEU A 54 8.674 5.808 -1.190 1.00 54.40 H new ATOM 0 HD23 LEU A 54 8.034 6.908 -2.434 1.00 54.40 H new ATOM 478 N ALA A 55 5.133 3.493 -4.807 1.00 13.22 N ATOM 479 CA ALA A 55 4.766 2.305 -5.564 1.00 42.42 C ATOM 480 C ALA A 55 5.380 2.352 -6.966 1.00 11.12 C ATOM 481 O ALA A 55 6.007 1.384 -7.402 1.00 13.22 O ATOM 482 CB ALA A 55 3.240 2.201 -5.633 1.00 12.52 C ATOM 0 H ALA A 55 4.399 4.202 -4.800 1.00 13.22 H new ATOM 0 HA ALA A 55 5.157 1.419 -5.063 1.00 42.42 H new ATOM 0 HB1 ALA A 55 2.961 1.312 -6.199 1.00 12.52 H new ATOM 0 HB2 ALA A 55 2.834 2.130 -4.624 1.00 12.52 H new ATOM 0 HB3 ALA A 55 2.837 3.086 -6.125 1.00 12.52 H new ATOM 488 N GLN A 56 5.235 3.470 -7.681 1.00 43.42 N ATOM 489 CA GLN A 56 5.731 3.572 -9.049 1.00 22.25 C ATOM 490 C GLN A 56 7.264 3.543 -9.088 1.00 71.40 C ATOM 491 O GLN A 56 7.829 3.011 -10.041 1.00 31.43 O ATOM 492 CB GLN A 56 5.118 4.793 -9.759 1.00 23.05 C ATOM 493 CG GLN A 56 5.829 6.110 -9.436 1.00 73.40 C ATOM 494 CD GLN A 56 5.006 7.328 -9.820 1.00 51.52 C ATOM 495 OE1 GLN A 56 5.363 8.081 -10.723 1.00 3.15 O ATOM 496 NE2 GLN A 56 3.890 7.551 -9.152 1.00 5.31 N ATOM 0 H GLN A 56 4.779 4.314 -7.334 1.00 43.42 H new ATOM 0 HA GLN A 56 5.406 2.696 -9.610 1.00 22.25 H new ATOM 0 HB2 GLN A 56 5.147 4.629 -10.836 1.00 23.05 H new ATOM 0 HB3 GLN A 56 4.068 4.878 -9.477 1.00 23.05 H new ATOM 0 HG2 GLN A 56 6.050 6.147 -8.369 1.00 73.40 H new ATOM 0 HG3 GLN A 56 6.784 6.141 -9.961 1.00 73.40 H new ATOM 0 HE21 GLN A 56 3.607 6.917 -8.405 1.00 5.31 H new ATOM 0 HE22 GLN A 56 3.310 8.358 -9.383 1.00 5.31 H new ATOM 505 N HIS A 57 7.940 4.053 -8.053 1.00 43.43 N ATOM 506 CA HIS A 57 9.396 4.010 -7.944 1.00 51.44 C ATOM 507 C HIS A 57 9.822 2.907 -6.974 1.00 1.21 C ATOM 508 O HIS A 57 10.953 2.929 -6.494 1.00 70.21 O ATOM 509 CB HIS A 57 9.952 5.385 -7.536 1.00 52.24 C ATOM 510 CG HIS A 57 9.629 6.483 -8.517 1.00 74.42 C ATOM 511 ND1 HIS A 57 8.644 7.433 -8.368 1.00 21.22 N ATOM 512 CD2 HIS A 57 10.248 6.703 -9.719 1.00 63.31 C ATOM 513 CE1 HIS A 57 8.658 8.205 -9.471 1.00 65.43 C ATOM 514 NE2 HIS A 57 9.622 7.801 -10.312 1.00 53.42 N ATOM 0 H HIS A 57 7.485 4.510 -7.263 1.00 43.43 H new ATOM 0 HA HIS A 57 9.818 3.771 -8.920 1.00 51.44 H new ATOM 0 HB2 HIS A 57 9.552 5.654 -6.558 1.00 52.24 H new ATOM 0 HB3 HIS A 57 11.034 5.312 -7.428 1.00 52.24 H new ATOM 0 HD1 HIS A 57 8.018 7.534 -7.569 1.00 21.22 H new ATOM 0 HD2 HIS A 57 11.068 6.133 -10.131 1.00 63.31 H new ATOM 0 HE1 HIS A 57 7.988 9.032 -9.653 1.00 65.43 H new ATOM 522 N ASP A 58 8.933 1.961 -6.644 1.00 70.40 N ATOM 523 CA ASP A 58 9.206 0.906 -5.669 1.00 2.41 C ATOM 524 C ASP A 58 10.496 0.172 -6.011 1.00 13.11 C ATOM 525 O ASP A 58 11.345 -0.010 -5.134 1.00 1.44 O ATOM 526 CB ASP A 58 8.049 -0.097 -5.611 1.00 43.43 C ATOM 527 CG ASP A 58 8.401 -1.326 -4.767 1.00 4.44 C ATOM 528 OD1 ASP A 58 8.200 -1.279 -3.526 1.00 73.40 O ATOM 529 OD2 ASP A 58 8.851 -2.359 -5.306 1.00 34.13 O1- ATOM 0 H ASP A 58 7.999 1.909 -7.051 1.00 70.40 H new ATOM 0 HA ASP A 58 9.314 1.380 -4.694 1.00 2.41 H new ATOM 0 HB2 ASP A 58 7.167 0.389 -5.194 1.00 43.43 H new ATOM 0 HB3 ASP A 58 7.791 -0.412 -6.622 1.00 43.43 H new ATOM 534 N GLY A 59 10.623 -0.202 -7.289 1.00 44.10 N ATOM 535 CA GLY A 59 11.782 -0.859 -7.854 1.00 73.21 C ATOM 536 C GLY A 59 13.015 0.014 -7.693 1.00 25.31 C ATOM 537 O GLY A 59 13.969 -0.416 -7.059 1.00 52.03 O ATOM 0 H GLY A 59 9.886 -0.044 -7.976 1.00 44.10 H new ATOM 0 HA2 GLY A 59 11.941 -1.818 -7.361 1.00 73.21 H new ATOM 0 HA3 GLY A 59 11.611 -1.067 -8.910 1.00 73.21 H new ATOM 541 N GLU A 60 12.995 1.230 -8.236 1.00 51.30 N ATOM 542 CA GLU A 60 14.140 2.134 -8.270 1.00 53.22 C ATOM 543 C GLU A 60 14.663 2.448 -6.865 1.00 73.42 C ATOM 544 O GLU A 60 15.870 2.368 -6.630 1.00 23.32 O ATOM 545 CB GLU A 60 13.743 3.400 -9.043 1.00 32.33 C ATOM 546 CG GLU A 60 14.905 4.398 -9.154 1.00 10.45 C ATOM 547 CD GLU A 60 14.719 5.455 -10.247 1.00 34.33 C ATOM 548 OE1 GLU A 60 13.625 5.555 -10.851 1.00 64.42 O ATOM 549 OE2 GLU A 60 15.725 6.096 -10.626 1.00 63.11 O1- ATOM 0 H GLU A 60 12.162 1.622 -8.675 1.00 51.30 H new ATOM 0 HA GLU A 60 14.969 1.650 -8.786 1.00 53.22 H new ATOM 0 HB2 GLU A 60 13.407 3.123 -10.042 1.00 32.33 H new ATOM 0 HB3 GLU A 60 12.901 3.879 -8.544 1.00 32.33 H new ATOM 0 HG2 GLU A 60 15.031 4.901 -8.195 1.00 10.45 H new ATOM 0 HG3 GLU A 60 15.825 3.847 -9.349 1.00 10.45 H new ATOM 556 N ILE A 61 13.764 2.770 -5.932 1.00 61.31 N ATOM 557 CA ILE A 61 14.071 3.035 -4.533 1.00 64.32 C ATOM 558 C ILE A 61 14.758 1.799 -3.947 1.00 34.55 C ATOM 559 O ILE A 61 15.885 1.889 -3.449 1.00 73.31 O ATOM 560 CB ILE A 61 12.783 3.436 -3.764 1.00 2.25 C ATOM 561 CG1 ILE A 61 12.252 4.814 -4.236 1.00 64.21 C ATOM 562 CG2 ILE A 61 13.020 3.467 -2.240 1.00 24.44 C ATOM 563 CD1 ILE A 61 10.813 5.115 -3.788 1.00 33.24 C ATOM 0 H ILE A 61 12.769 2.855 -6.142 1.00 61.31 H new ATOM 0 HA ILE A 61 14.754 3.879 -4.438 1.00 64.32 H new ATOM 0 HB ILE A 61 12.034 2.675 -3.984 1.00 2.25 H new ATOM 0 HG12 ILE A 61 12.911 5.595 -3.857 1.00 64.21 H new ATOM 0 HG13 ILE A 61 12.300 4.857 -5.324 1.00 64.21 H new ATOM 0 HG21 ILE A 61 12.097 3.751 -1.734 1.00 24.44 H new ATOM 0 HG22 ILE A 61 13.331 2.479 -1.900 1.00 24.44 H new ATOM 0 HG23 ILE A 61 13.800 4.192 -2.008 1.00 24.44 H new ATOM 0 HD11 ILE A 61 10.515 6.096 -4.157 1.00 33.24 H new ATOM 0 HD12 ILE A 61 10.141 4.357 -4.189 1.00 33.24 H new ATOM 0 HD13 ILE A 61 10.761 5.106 -2.699 1.00 33.24 H new ATOM 575 N ARG A 62 14.081 0.641 -3.972 1.00 12.14 N ATOM 576 CA ARG A 62 14.615 -0.528 -3.284 1.00 25.15 C ATOM 577 C ARG A 62 15.879 -1.037 -3.962 1.00 71.24 C ATOM 578 O ARG A 62 16.734 -1.578 -3.267 1.00 53.10 O ATOM 579 CB ARG A 62 13.537 -1.606 -3.078 1.00 51.44 C ATOM 580 CG ARG A 62 13.128 -2.467 -4.283 1.00 10.34 C ATOM 581 CD ARG A 62 14.092 -3.624 -4.577 1.00 62.43 C ATOM 582 NE ARG A 62 13.389 -4.745 -5.217 1.00 2.23 N ATOM 583 CZ ARG A 62 12.622 -5.647 -4.590 1.00 13.13 C ATOM 584 NH1 ARG A 62 12.536 -5.662 -3.260 1.00 14.43 N1+ ATOM 585 NH2 ARG A 62 11.990 -6.581 -5.285 1.00 55.51 N ATOM 0 H ARG A 62 13.190 0.497 -4.448 1.00 12.14 H new ATOM 0 HA ARG A 62 14.918 -0.229 -2.280 1.00 25.15 H new ATOM 0 HB2 ARG A 62 13.884 -2.277 -2.292 1.00 51.44 H new ATOM 0 HB3 ARG A 62 12.641 -1.112 -2.703 1.00 51.44 H new ATOM 0 HG2 ARG A 62 12.132 -2.873 -4.105 1.00 10.34 H new ATOM 0 HG3 ARG A 62 13.060 -1.831 -5.165 1.00 10.34 H new ATOM 0 HD2 ARG A 62 14.896 -3.276 -5.226 1.00 62.43 H new ATOM 0 HD3 ARG A 62 14.554 -3.962 -3.649 1.00 62.43 H new ATOM 0 HE ARG A 62 13.494 -4.845 -6.227 1.00 2.23 H new ATOM 0 HH11 ARG A 62 13.058 -4.982 -2.708 1.00 14.43 H new ATOM 0 HH12 ARG A 62 11.948 -6.354 -2.795 1.00 14.43 H new ATOM 0 HH21 ARG A 62 12.087 -6.615 -6.300 1.00 55.51 H new ATOM 0 HH22 ARG A 62 11.407 -7.267 -4.805 1.00 55.51 H new ATOM 599 N ALA A 63 16.019 -0.863 -5.275 1.00 42.33 N ATOM 600 CA ALA A 63 17.198 -1.221 -6.039 1.00 33.31 C ATOM 601 C ALA A 63 18.378 -0.344 -5.645 1.00 30.14 C ATOM 602 O ALA A 63 19.471 -0.879 -5.445 1.00 10.14 O ATOM 603 CB ALA A 63 16.914 -1.064 -7.531 1.00 71.10 C ATOM 0 H ALA A 63 15.284 -0.453 -5.851 1.00 42.33 H new ATOM 0 HA ALA A 63 17.449 -2.260 -5.824 1.00 33.31 H new ATOM 0 HB1 ALA A 63 17.803 -1.334 -8.101 1.00 71.10 H new ATOM 0 HB2 ALA A 63 16.089 -1.717 -7.815 1.00 71.10 H new ATOM 0 HB3 ALA A 63 16.647 -0.029 -7.744 1.00 71.10 H new ATOM 609 N GLU A 64 18.164 0.970 -5.514 1.00 12.11 N ATOM 610 CA GLU A 64 19.228 1.892 -5.153 1.00 43.23 C ATOM 611 C GLU A 64 19.745 1.526 -3.763 1.00 31.13 C ATOM 612 O GLU A 64 20.957 1.425 -3.567 1.00 4.44 O ATOM 613 CB GLU A 64 18.749 3.354 -5.216 1.00 32.24 C ATOM 614 CG GLU A 64 19.963 4.282 -5.044 1.00 41.21 C ATOM 615 CD GLU A 64 19.687 5.754 -5.347 1.00 12.41 C ATOM 616 OE1 GLU A 64 19.447 6.103 -6.530 1.00 33.42 O ATOM 617 OE2 GLU A 64 19.877 6.601 -4.444 1.00 3.41 O1- ATOM 0 H GLU A 64 17.256 1.413 -5.655 1.00 12.11 H new ATOM 0 HA GLU A 64 20.043 1.805 -5.871 1.00 43.23 H new ATOM 0 HB2 GLU A 64 18.257 3.549 -6.169 1.00 32.24 H new ATOM 0 HB3 GLU A 64 18.015 3.544 -4.433 1.00 32.24 H new ATOM 0 HG2 GLU A 64 20.326 4.197 -4.020 1.00 41.21 H new ATOM 0 HG3 GLU A 64 20.764 3.935 -5.696 1.00 41.21 H new ATOM 624 N ALA A 65 18.818 1.265 -2.833 1.00 70.42 N ATOM 625 CA ALA A 65 19.139 0.782 -1.501 1.00 10.41 C ATOM 626 C ALA A 65 19.878 -0.565 -1.569 1.00 53.02 C ATOM 627 O ALA A 65 20.871 -0.757 -0.879 1.00 63.10 O ATOM 628 CB ALA A 65 17.850 0.670 -0.684 1.00 43.04 C ATOM 0 H ALA A 65 17.818 1.387 -2.994 1.00 70.42 H new ATOM 0 HA ALA A 65 19.808 1.490 -1.011 1.00 10.41 H new ATOM 0 HB1 ALA A 65 18.084 0.308 0.317 1.00 43.04 H new ATOM 0 HB2 ALA A 65 17.377 1.650 -0.614 1.00 43.04 H new ATOM 0 HB3 ALA A 65 17.169 -0.027 -1.172 1.00 43.04 H new ATOM 634 N ALA A 66 19.406 -1.508 -2.393 1.00 62.54 N ATOM 635 CA ALA A 66 19.991 -2.841 -2.542 1.00 13.35 C ATOM 636 C ALA A 66 21.383 -2.817 -3.180 1.00 73.43 C ATOM 637 O ALA A 66 22.126 -3.795 -3.039 1.00 54.11 O ATOM 638 CB ALA A 66 19.066 -3.725 -3.386 1.00 12.31 C ATOM 0 H ALA A 66 18.589 -1.360 -2.986 1.00 62.54 H new ATOM 0 HA ALA A 66 20.101 -3.247 -1.537 1.00 13.35 H new ATOM 0 HB1 ALA A 66 19.508 -4.716 -3.493 1.00 12.31 H new ATOM 0 HB2 ALA A 66 18.097 -3.811 -2.895 1.00 12.31 H new ATOM 0 HB3 ALA A 66 18.935 -3.278 -4.371 1.00 12.31 H new ATOM 644 N ALA A 67 21.724 -1.745 -3.899 1.00 21.33 N ATOM 645 CA ALA A 67 23.040 -1.518 -4.473 1.00 4.42 C ATOM 646 C ALA A 67 23.950 -0.702 -3.545 1.00 34.54 C ATOM 647 O ALA A 67 25.128 -0.564 -3.873 1.00 72.54 O ATOM 648 CB ALA A 67 22.880 -0.795 -5.817 1.00 10.23 C ATOM 0 H ALA A 67 21.067 -0.991 -4.100 1.00 21.33 H new ATOM 0 HA ALA A 67 23.517 -2.488 -4.615 1.00 4.42 H new ATOM 0 HB1 ALA A 67 23.863 -0.620 -6.255 1.00 10.23 H new ATOM 0 HB2 ALA A 67 22.285 -1.410 -6.492 1.00 10.23 H new ATOM 0 HB3 ALA A 67 22.378 0.160 -5.659 1.00 10.23 H new ATOM 654 N ASP A 68 23.452 -0.152 -2.431 1.00 21.45 N ATOM 655 CA ASP A 68 24.207 0.770 -1.584 1.00 44.24 C ATOM 656 C ASP A 68 25.452 0.053 -1.047 1.00 21.14 C ATOM 657 O ASP A 68 25.345 -1.135 -0.723 1.00 53.41 O ATOM 658 CB ASP A 68 23.298 1.234 -0.438 1.00 11.41 C ATOM 659 CG ASP A 68 23.911 2.394 0.330 1.00 43.12 C ATOM 660 OD1 ASP A 68 23.797 3.537 -0.162 1.00 63.54 O1- ATOM 661 OD2 ASP A 68 24.502 2.195 1.416 1.00 62.53 O ATOM 0 H ASP A 68 22.508 -0.337 -2.093 1.00 21.45 H new ATOM 0 HA ASP A 68 24.533 1.642 -2.151 1.00 44.24 H new ATOM 0 HB2 ASP A 68 22.330 1.534 -0.840 1.00 11.41 H new ATOM 0 HB3 ASP A 68 23.117 0.402 0.243 1.00 11.41 H new ATOM 666 N PRO A 69 26.616 0.716 -0.890 1.00 74.22 N ATOM 667 CA PRO A 69 27.865 0.017 -0.605 1.00 62.24 C ATOM 668 C PRO A 69 27.791 -0.742 0.714 1.00 41.24 C ATOM 669 O PRO A 69 28.286 -1.867 0.812 1.00 10.42 O ATOM 670 CB PRO A 69 28.966 1.080 -0.588 1.00 42.40 C ATOM 671 CG PRO A 69 28.219 2.391 -0.393 1.00 41.33 C ATOM 672 CD PRO A 69 26.894 2.128 -1.098 1.00 61.14 C ATOM 0 HA PRO A 69 28.071 -0.736 -1.365 1.00 62.24 H new ATOM 0 HB2 PRO A 69 29.677 0.903 0.219 1.00 42.40 H new ATOM 0 HB3 PRO A 69 29.533 1.080 -1.519 1.00 42.40 H new ATOM 0 HG2 PRO A 69 28.077 2.623 0.662 1.00 41.33 H new ATOM 0 HG3 PRO A 69 28.754 3.232 -0.835 1.00 41.33 H new ATOM 0 HD2 PRO A 69 26.100 2.749 -0.685 1.00 61.14 H new ATOM 0 HD3 PRO A 69 26.962 2.362 -2.160 1.00 61.14 H new ATOM 680 N ALA A 70 27.134 -0.143 1.711 1.00 31.45 N ATOM 681 CA ALA A 70 27.010 -0.736 3.029 1.00 33.34 C ATOM 682 C ALA A 70 26.125 -1.978 2.959 1.00 3.34 C ATOM 683 O ALA A 70 26.394 -2.955 3.650 1.00 51.12 O ATOM 684 CB ALA A 70 26.445 0.297 4.006 1.00 30.55 C ATOM 0 H ALA A 70 26.677 0.764 1.619 1.00 31.45 H new ATOM 0 HA ALA A 70 27.992 -1.044 3.388 1.00 33.34 H new ATOM 0 HB1 ALA A 70 26.353 -0.151 4.996 1.00 30.55 H new ATOM 0 HB2 ALA A 70 27.116 1.155 4.057 1.00 30.55 H new ATOM 0 HB3 ALA A 70 25.464 0.624 3.663 1.00 30.55 H new ATOM 690 N VAL A 71 25.081 -1.956 2.127 1.00 23.55 N ATOM 691 CA VAL A 71 24.172 -3.078 1.971 1.00 23.24 C ATOM 692 C VAL A 71 24.910 -4.231 1.302 1.00 20.54 C ATOM 693 O VAL A 71 24.981 -5.320 1.875 1.00 23.21 O ATOM 694 CB VAL A 71 22.882 -2.640 1.241 1.00 22.21 C ATOM 695 CG1 VAL A 71 21.935 -3.823 0.974 1.00 40.42 C ATOM 696 CG2 VAL A 71 22.138 -1.588 2.087 1.00 74.34 C ATOM 0 H VAL A 71 24.847 -1.153 1.543 1.00 23.55 H new ATOM 0 HA VAL A 71 23.839 -3.440 2.944 1.00 23.24 H new ATOM 0 HB VAL A 71 23.181 -2.221 0.280 1.00 22.21 H new ATOM 0 HG11 VAL A 71 21.043 -3.466 0.460 1.00 40.42 H new ATOM 0 HG12 VAL A 71 22.441 -4.561 0.352 1.00 40.42 H new ATOM 0 HG13 VAL A 71 21.649 -4.281 1.921 1.00 40.42 H new ATOM 0 HG21 VAL A 71 21.229 -1.281 1.569 1.00 74.34 H new ATOM 0 HG22 VAL A 71 21.877 -2.017 3.054 1.00 74.34 H new ATOM 0 HG23 VAL A 71 22.781 -0.720 2.236 1.00 74.34 H new ATOM 706 N VAL A 72 25.486 -4.009 0.119 1.00 41.03 N ATOM 707 CA VAL A 72 26.103 -5.081 -0.656 1.00 24.33 C ATOM 708 C VAL A 72 27.261 -5.715 0.113 1.00 23.41 C ATOM 709 O VAL A 72 27.364 -6.944 0.191 1.00 1.33 O ATOM 710 CB VAL A 72 26.513 -4.582 -2.055 1.00 44.32 C ATOM 711 CG1 VAL A 72 25.268 -4.079 -2.793 1.00 23.55 C ATOM 712 CG2 VAL A 72 27.573 -3.474 -2.086 1.00 71.53 C ATOM 0 H VAL A 72 25.537 -3.091 -0.323 1.00 41.03 H new ATOM 0 HA VAL A 72 25.366 -5.869 -0.811 1.00 24.33 H new ATOM 0 HB VAL A 72 26.973 -5.445 -2.537 1.00 44.32 H new ATOM 0 HG11 VAL A 72 25.551 -3.724 -3.784 1.00 23.55 H new ATOM 0 HG12 VAL A 72 24.549 -4.893 -2.890 1.00 23.55 H new ATOM 0 HG13 VAL A 72 24.817 -3.262 -2.230 1.00 23.55 H new ATOM 0 HG21 VAL A 72 27.784 -3.201 -3.120 1.00 71.53 H new ATOM 0 HG22 VAL A 72 27.203 -2.601 -1.549 1.00 71.53 H new ATOM 0 HG23 VAL A 72 28.487 -3.831 -1.611 1.00 71.53 H new ATOM 722 N ALA A 73 28.106 -4.879 0.719 1.00 35.52 N ATOM 723 CA ALA A 73 29.244 -5.317 1.507 1.00 52.40 C ATOM 724 C ALA A 73 28.801 -6.052 2.776 1.00 4.33 C ATOM 725 O ALA A 73 29.408 -7.079 3.104 1.00 32.14 O ATOM 726 CB ALA A 73 30.118 -4.112 1.848 1.00 11.35 C ATOM 0 H ALA A 73 28.012 -3.864 0.671 1.00 35.52 H new ATOM 0 HA ALA A 73 29.825 -6.026 0.917 1.00 52.40 H new ATOM 0 HB1 ALA A 73 30.973 -4.439 2.440 1.00 11.35 H new ATOM 0 HB2 ALA A 73 30.470 -3.646 0.928 1.00 11.35 H new ATOM 0 HB3 ALA A 73 29.535 -3.390 2.420 1.00 11.35 H new ATOM 732 N ALA A 74 27.769 -5.570 3.486 1.00 62.43 N ATOM 733 CA ALA A 74 27.216 -6.290 4.628 1.00 3.44 C ATOM 734 C ALA A 74 26.723 -7.659 4.171 1.00 40.30 C ATOM 735 O ALA A 74 27.084 -8.657 4.782 1.00 73.21 O ATOM 736 CB ALA A 74 26.087 -5.509 5.311 1.00 11.05 C ATOM 0 H ALA A 74 27.305 -4.684 3.284 1.00 62.43 H new ATOM 0 HA ALA A 74 28.007 -6.412 5.368 1.00 3.44 H new ATOM 0 HB1 ALA A 74 25.706 -6.084 6.155 1.00 11.05 H new ATOM 0 HB2 ALA A 74 26.470 -4.552 5.666 1.00 11.05 H new ATOM 0 HB3 ALA A 74 25.282 -5.335 4.598 1.00 11.05 H new ATOM 742 N LYS A 75 25.943 -7.725 3.086 1.00 54.02 N ATOM 743 CA LYS A 75 25.430 -8.971 2.513 1.00 15.24 C ATOM 744 C LYS A 75 26.589 -9.926 2.208 1.00 63.12 C ATOM 745 O LYS A 75 26.522 -11.099 2.570 1.00 72.13 O ATOM 746 CB LYS A 75 24.587 -8.646 1.260 1.00 22.13 C ATOM 747 CG LYS A 75 23.502 -9.670 0.885 1.00 54.34 C ATOM 748 CD LYS A 75 23.998 -11.115 0.753 1.00 73.10 C ATOM 749 CE LYS A 75 23.002 -12.028 0.029 1.00 3.31 C ATOM 750 NZ LYS A 75 22.978 -11.811 -1.432 1.00 42.43 N1+ ATOM 0 H LYS A 75 25.646 -6.895 2.572 1.00 54.02 H new ATOM 0 HA LYS A 75 24.782 -9.477 3.228 1.00 15.24 H new ATOM 0 HB2 LYS A 75 24.107 -7.679 1.412 1.00 22.13 H new ATOM 0 HB3 LYS A 75 25.263 -8.537 0.412 1.00 22.13 H new ATOM 0 HG2 LYS A 75 22.716 -9.638 1.640 1.00 54.34 H new ATOM 0 HG3 LYS A 75 23.049 -9.369 -0.060 1.00 54.34 H new ATOM 0 HD2 LYS A 75 24.945 -11.120 0.213 1.00 73.10 H new ATOM 0 HD3 LYS A 75 24.195 -11.518 1.747 1.00 73.10 H new ATOM 0 HE2 LYS A 75 23.257 -13.068 0.232 1.00 3.31 H new ATOM 0 HE3 LYS A 75 22.003 -11.860 0.432 1.00 3.31 H new ATOM 0 HZ1 LYS A 75 22.287 -12.455 -1.867 1.00 42.43 H new ATOM 0 HZ2 LYS A 75 22.708 -10.827 -1.632 1.00 42.43 H new ATOM 0 HZ3 LYS A 75 23.922 -11.998 -1.826 1.00 42.43 H new ATOM 764 N ALA A 76 27.658 -9.437 1.572 1.00 20.54 N ATOM 765 CA ALA A 76 28.805 -10.251 1.186 1.00 71.42 C ATOM 766 C ALA A 76 29.433 -10.895 2.419 1.00 44.12 C ATOM 767 O ALA A 76 29.664 -12.102 2.446 1.00 3.43 O ATOM 768 CB ALA A 76 29.832 -9.395 0.430 1.00 31.32 C ATOM 0 H ALA A 76 27.748 -8.455 1.310 1.00 20.54 H new ATOM 0 HA ALA A 76 28.468 -11.046 0.521 1.00 71.42 H new ATOM 0 HB1 ALA A 76 30.684 -10.014 0.147 1.00 31.32 H new ATOM 0 HB2 ALA A 76 29.371 -8.981 -0.467 1.00 31.32 H new ATOM 0 HB3 ALA A 76 30.171 -8.582 1.072 1.00 31.32 H new ATOM 774 N ALA A 77 29.702 -10.085 3.452 1.00 60.42 N ATOM 775 CA ALA A 77 30.226 -10.582 4.715 1.00 22.35 C ATOM 776 C ALA A 77 29.242 -11.546 5.383 1.00 54.42 C ATOM 777 O ALA A 77 29.675 -12.541 5.962 1.00 55.24 O ATOM 778 CB ALA A 77 30.549 -9.406 5.640 1.00 62.53 C ATOM 0 H ALA A 77 29.561 -9.075 3.429 1.00 60.42 H new ATOM 0 HA ALA A 77 31.142 -11.138 4.515 1.00 22.35 H new ATOM 0 HB1 ALA A 77 30.941 -9.783 6.585 1.00 62.53 H new ATOM 0 HB2 ALA A 77 31.294 -8.766 5.168 1.00 62.53 H new ATOM 0 HB3 ALA A 77 29.642 -8.831 5.827 1.00 62.53 H new ATOM 784 N LEU A 78 27.937 -11.265 5.310 1.00 55.23 N ATOM 785 CA LEU A 78 26.890 -12.064 5.932 1.00 31.55 C ATOM 786 C LEU A 78 26.996 -13.465 5.383 1.00 75.14 C ATOM 787 O LEU A 78 27.156 -14.411 6.133 1.00 43.00 O ATOM 788 CB LEU A 78 25.482 -11.503 5.644 1.00 44.11 C ATOM 789 CG LEU A 78 24.655 -11.238 6.908 1.00 41.42 C ATOM 790 CD1 LEU A 78 23.347 -10.572 6.481 1.00 0.44 C ATOM 791 CD2 LEU A 78 24.308 -12.471 7.728 1.00 73.52 C ATOM 0 H LEU A 78 27.577 -10.456 4.804 1.00 55.23 H new ATOM 0 HA LEU A 78 27.027 -12.046 7.013 1.00 31.55 H new ATOM 0 HB2 LEU A 78 25.578 -10.574 5.082 1.00 44.11 H new ATOM 0 HB3 LEU A 78 24.943 -12.206 5.008 1.00 44.11 H new ATOM 0 HG LEU A 78 25.275 -10.614 7.551 1.00 41.42 H new ATOM 0 HD11 LEU A 78 22.737 -10.371 7.361 1.00 0.44 H new ATOM 0 HD12 LEU A 78 23.566 -9.635 5.970 1.00 0.44 H new ATOM 0 HD13 LEU A 78 22.804 -11.235 5.807 1.00 0.44 H new ATOM 0 HD21 LEU A 78 23.723 -12.176 8.599 1.00 73.52 H new ATOM 0 HD22 LEU A 78 23.727 -13.162 7.118 1.00 73.52 H new ATOM 0 HD23 LEU A 78 25.225 -12.960 8.056 1.00 73.52 H new ATOM 803 N ASP A 79 26.995 -13.589 4.063 1.00 54.02 N ATOM 804 CA ASP A 79 26.952 -14.847 3.334 1.00 3.31 C ATOM 805 C ASP A 79 28.217 -15.691 3.536 1.00 75.51 C ATOM 806 O ASP A 79 28.265 -16.836 3.080 1.00 13.22 O ATOM 807 CB ASP A 79 26.770 -14.523 1.849 1.00 24.21 C ATOM 808 CG ASP A 79 25.335 -14.270 1.402 1.00 24.53 C ATOM 809 OD1 ASP A 79 24.427 -14.030 2.231 1.00 74.52 O ATOM 810 OD2 ASP A 79 25.143 -14.363 0.168 1.00 41.30 O1- ATOM 0 H ASP A 79 27.026 -12.779 3.444 1.00 54.02 H new ATOM 0 HA ASP A 79 26.122 -15.441 3.715 1.00 3.31 H new ATOM 0 HB2 ASP A 79 27.366 -13.642 1.612 1.00 24.21 H new ATOM 0 HB3 ASP A 79 27.174 -15.349 1.263 1.00 24.21 H new ATOM 815 N ALA A 80 29.244 -15.142 4.191 1.00 75.32 N ATOM 816 CA ALA A 80 30.504 -15.796 4.504 1.00 33.52 C ATOM 817 C ALA A 80 30.659 -16.047 6.012 1.00 31.12 C ATOM 818 O ALA A 80 31.513 -16.840 6.406 1.00 14.24 O ATOM 819 CB ALA A 80 31.634 -14.912 3.968 1.00 51.41 C ATOM 0 H ALA A 80 29.211 -14.181 4.531 1.00 75.32 H new ATOM 0 HA ALA A 80 30.536 -16.778 4.031 1.00 33.52 H new ATOM 0 HB1 ALA A 80 32.595 -15.377 4.188 1.00 51.41 H new ATOM 0 HB2 ALA A 80 31.525 -14.796 2.890 1.00 51.41 H new ATOM 0 HB3 ALA A 80 31.587 -13.933 4.445 1.00 51.41 H new ATOM 825 N VAL A 81 29.845 -15.412 6.861 1.00 43.01 N ATOM 826 CA VAL A 81 29.944 -15.454 8.323 1.00 51.31 C ATOM 827 C VAL A 81 28.570 -15.811 8.924 1.00 32.45 C ATOM 828 O VAL A 81 28.310 -15.637 10.114 1.00 35.24 O ATOM 829 CB VAL A 81 30.563 -14.115 8.812 1.00 23.13 C ATOM 830 CG1 VAL A 81 30.807 -14.031 10.327 1.00 63.12 C ATOM 831 CG2 VAL A 81 31.915 -13.817 8.133 1.00 11.03 C ATOM 0 H VAL A 81 29.070 -14.833 6.537 1.00 43.01 H new ATOM 0 HA VAL A 81 30.613 -16.240 8.673 1.00 51.31 H new ATOM 0 HB VAL A 81 29.803 -13.383 8.537 1.00 23.13 H new ATOM 0 HG11 VAL A 81 31.240 -13.061 10.573 1.00 63.12 H new ATOM 0 HG12 VAL A 81 29.861 -14.150 10.855 1.00 63.12 H new ATOM 0 HG13 VAL A 81 31.493 -14.822 10.629 1.00 63.12 H new ATOM 0 HG21 VAL A 81 32.309 -12.872 8.506 1.00 11.03 H new ATOM 0 HG22 VAL A 81 32.619 -14.618 8.358 1.00 11.03 H new ATOM 0 HG23 VAL A 81 31.774 -13.751 7.054 1.00 11.03 H new ATOM 841 N GLU A 82 27.631 -16.236 8.089 1.00 62.51 N ATOM 842 CA GLU A 82 26.271 -16.600 8.453 1.00 53.04 C ATOM 843 C GLU A 82 26.268 -17.897 9.272 1.00 32.53 C ATOM 844 O GLU A 82 27.317 -18.516 9.477 1.00 51.02 O ATOM 845 CB GLU A 82 25.411 -16.778 7.181 1.00 24.34 C ATOM 846 CG GLU A 82 24.114 -15.959 7.263 1.00 43.02 C ATOM 847 CD GLU A 82 22.882 -16.852 7.293 1.00 53.24 C ATOM 848 OE1 GLU A 82 22.748 -17.633 8.261 1.00 22.22 O1- ATOM 849 OE2 GLU A 82 22.050 -16.783 6.355 1.00 61.31 O ATOM 0 H GLU A 82 27.808 -16.341 7.090 1.00 62.51 H new ATOM 0 HA GLU A 82 25.847 -15.800 9.060 1.00 53.04 H new ATOM 0 HB2 GLU A 82 25.984 -16.469 6.307 1.00 24.34 H new ATOM 0 HB3 GLU A 82 25.170 -17.833 7.048 1.00 24.34 H new ATOM 0 HG2 GLU A 82 24.133 -15.336 8.157 1.00 43.02 H new ATOM 0 HG3 GLU A 82 24.054 -15.286 6.408 1.00 43.02 H new ATOM 856 N GLY A 83 25.089 -18.377 9.663 1.00 41.13 N ATOM 857 CA GLY A 83 24.933 -19.719 10.199 1.00 44.12 C ATOM 858 C GLY A 83 24.956 -19.761 11.717 1.00 22.22 C ATOM 859 O GLY A 83 25.144 -20.838 12.284 1.00 14.32 O ATOM 0 H GLY A 83 24.220 -17.845 9.616 1.00 41.13 H new ATOM 0 HA2 GLY A 83 23.991 -20.138 9.844 1.00 44.12 H new ATOM 0 HA3 GLY A 83 25.730 -20.353 9.812 1.00 44.12 H new ATOM 863 N GLY A 84 24.790 -18.616 12.382 1.00 1.42 N ATOM 864 CA GLY A 84 25.003 -18.531 13.821 1.00 34.55 C ATOM 865 C GLY A 84 26.490 -18.482 14.163 1.00 31.12 C ATOM 866 O GLY A 84 26.864 -18.849 15.275 1.00 14.21 O ATOM 0 H GLY A 84 24.509 -17.738 11.945 1.00 1.42 H new ATOM 0 HA2 GLY A 84 24.509 -17.641 14.211 1.00 34.55 H new ATOM 0 HA3 GLY A 84 24.544 -19.391 14.309 1.00 34.55 H new ATOM 870 N SER A 85 27.341 -18.057 13.221 1.00 74.13 N ATOM 871 CA SER A 85 28.765 -17.880 13.479 1.00 23.51 C ATOM 872 C SER A 85 28.988 -16.811 14.564 1.00 43.03 C ATOM 873 O SER A 85 28.088 -16.029 14.862 1.00 20.13 O ATOM 874 CB SER A 85 29.451 -17.488 12.166 1.00 44.31 C ATOM 875 OG SER A 85 30.787 -17.951 12.169 1.00 20.52 O ATOM 0 H SER A 85 27.059 -17.829 12.267 1.00 74.13 H new ATOM 0 HA SER A 85 29.196 -18.810 13.848 1.00 23.51 H new ATOM 0 HB2 SER A 85 28.910 -17.914 11.321 1.00 44.31 H new ATOM 0 HB3 SER A 85 29.432 -16.405 12.044 1.00 44.31 H new ATOM 0 HG SER A 85 31.222 -17.700 11.327 1.00 20.52 H new ATOM 881 N HIS A 86 30.205 -16.702 15.111 1.00 74.20 N ATOM 882 CA HIS A 86 30.502 -15.764 16.197 1.00 12.25 C ATOM 883 C HIS A 86 30.127 -14.325 15.823 1.00 12.33 C ATOM 884 O HIS A 86 29.408 -13.657 16.559 1.00 43.21 O ATOM 885 CB HIS A 86 31.984 -15.839 16.589 1.00 2.43 C ATOM 886 CG HIS A 86 32.474 -17.215 16.960 1.00 32.54 C ATOM 887 ND1 HIS A 86 33.656 -17.783 16.537 1.00 4.03 N ATOM 888 CD2 HIS A 86 31.858 -18.106 17.801 1.00 54.11 C ATOM 889 CE1 HIS A 86 33.758 -18.987 17.129 1.00 51.44 C ATOM 890 NE2 HIS A 86 32.684 -19.228 17.896 1.00 64.53 N ATOM 0 H HIS A 86 31.006 -17.259 14.814 1.00 74.20 H new ATOM 0 HA HIS A 86 29.894 -16.057 17.053 1.00 12.25 H new ATOM 0 HB2 HIS A 86 32.584 -15.468 15.758 1.00 2.43 H new ATOM 0 HB3 HIS A 86 32.156 -15.169 17.431 1.00 2.43 H new ATOM 0 HD2 HIS A 86 30.909 -17.966 18.298 1.00 54.11 H new ATOM 0 HE1 HIS A 86 34.589 -19.665 17.004 1.00 51.44 H new ATOM 0 HE2 HIS A 86 32.505 -20.070 18.444 1.00 64.53 H new ATOM 898 N ASN A 87 30.590 -13.856 14.659 1.00 0.32 N ATOM 899 CA ASN A 87 30.303 -12.504 14.180 1.00 35.14 C ATOM 900 C ASN A 87 28.907 -12.404 13.545 1.00 3.32 C ATOM 901 O ASN A 87 28.568 -11.325 13.074 1.00 1.23 O ATOM 902 CB ASN A 87 31.403 -12.011 13.207 1.00 32.53 C ATOM 903 CG ASN A 87 32.268 -10.910 13.818 1.00 21.21 C ATOM 904 OD1 ASN A 87 33.152 -11.186 14.624 1.00 24.24 O ATOM 905 ND2 ASN A 87 32.074 -9.659 13.437 1.00 33.54 N ATOM 0 H ASN A 87 31.173 -14.403 14.026 1.00 0.32 H new ATOM 0 HA ASN A 87 30.305 -11.846 15.049 1.00 35.14 H new ATOM 0 HB2 ASN A 87 32.036 -12.851 12.922 1.00 32.53 H new ATOM 0 HB3 ASN A 87 30.937 -11.639 12.294 1.00 32.53 H new ATOM 0 HD21 ASN A 87 32.661 -8.914 13.813 1.00 33.54 H new ATOM 0 HD22 ASN A 87 31.337 -9.438 12.767 1.00 33.54 H new ATOM 912 N TYR A 88 28.093 -13.472 13.492 1.00 15.41 N ATOM 913 CA TYR A 88 26.827 -13.485 12.747 1.00 64.11 C ATOM 914 C TYR A 88 25.898 -12.366 13.192 1.00 74.44 C ATOM 915 O TYR A 88 25.439 -11.601 12.351 1.00 13.22 O ATOM 916 CB TYR A 88 26.111 -14.839 12.840 1.00 34.43 C ATOM 917 CG TYR A 88 24.673 -14.848 12.343 1.00 43.33 C ATOM 918 CD1 TYR A 88 24.360 -14.435 11.034 1.00 32.23 C ATOM 919 CD2 TYR A 88 23.637 -15.217 13.225 1.00 42.34 C ATOM 920 CE1 TYR A 88 23.018 -14.380 10.616 1.00 13.24 C ATOM 921 CE2 TYR A 88 22.297 -15.181 12.806 1.00 23.54 C ATOM 922 CZ TYR A 88 21.982 -14.750 11.499 1.00 33.25 C ATOM 923 OH TYR A 88 20.688 -14.655 11.095 1.00 24.33 O ATOM 0 H TYR A 88 28.297 -14.352 13.966 1.00 15.41 H new ATOM 0 HA TYR A 88 27.089 -13.318 11.702 1.00 64.11 H new ATOM 0 HB2 TYR A 88 26.680 -15.573 12.269 1.00 34.43 H new ATOM 0 HB3 TYR A 88 26.121 -15.166 13.880 1.00 34.43 H new ATOM 0 HD1 TYR A 88 25.150 -14.160 10.351 1.00 32.23 H new ATOM 0 HD2 TYR A 88 23.876 -15.530 14.231 1.00 42.34 H new ATOM 0 HE1 TYR A 88 22.780 -14.053 9.615 1.00 13.24 H new ATOM 0 HE2 TYR A 88 21.510 -15.482 13.482 1.00 23.54 H new ATOM 0 HH TYR A 88 20.097 -14.949 11.819 1.00 24.33 H new ATOM 933 N GLY A 89 25.640 -12.249 14.498 1.00 73.51 N ATOM 934 CA GLY A 89 24.759 -11.208 15.009 1.00 33.22 C ATOM 935 C GLY A 89 25.269 -9.816 14.637 1.00 15.05 C ATOM 936 O GLY A 89 24.465 -8.928 14.375 1.00 40.20 O ATOM 0 H GLY A 89 26.029 -12.862 15.214 1.00 73.51 H new ATOM 0 HA2 GLY A 89 23.755 -11.349 14.608 1.00 33.22 H new ATOM 0 HA3 GLY A 89 24.684 -11.292 16.093 1.00 33.22 H new ATOM 940 N GLU A 90 26.589 -9.646 14.572 1.00 24.45 N ATOM 941 CA GLU A 90 27.273 -8.424 14.188 1.00 52.31 C ATOM 942 C GLU A 90 26.978 -8.098 12.714 1.00 4.04 C ATOM 943 O GLU A 90 26.453 -7.020 12.418 1.00 31.52 O ATOM 944 CB GLU A 90 28.779 -8.604 14.488 1.00 2.01 C ATOM 945 CG GLU A 90 29.362 -7.465 15.324 1.00 4.04 C ATOM 946 CD GLU A 90 29.431 -6.180 14.511 1.00 32.43 C ATOM 947 OE1 GLU A 90 28.460 -5.405 14.506 1.00 63.54 O ATOM 948 OE2 GLU A 90 30.429 -5.988 13.776 1.00 73.33 O1- ATOM 0 H GLU A 90 27.238 -10.399 14.799 1.00 24.45 H new ATOM 0 HA GLU A 90 26.916 -7.568 14.761 1.00 52.31 H new ATOM 0 HB2 GLU A 90 28.929 -9.547 15.014 1.00 2.01 H new ATOM 0 HB3 GLU A 90 29.325 -8.673 13.547 1.00 2.01 H new ATOM 0 HG2 GLU A 90 28.748 -7.307 16.211 1.00 4.04 H new ATOM 0 HG3 GLU A 90 30.359 -7.736 15.671 1.00 4.04 H new ATOM 955 N VAL A 91 27.267 -9.016 11.780 1.00 35.33 N ATOM 956 CA VAL A 91 27.011 -8.741 10.364 1.00 24.53 C ATOM 957 C VAL A 91 25.508 -8.593 10.122 1.00 20.43 C ATOM 958 O VAL A 91 25.086 -7.737 9.349 1.00 34.34 O ATOM 959 CB VAL A 91 27.566 -9.807 9.393 1.00 15.05 C ATOM 960 CG1 VAL A 91 27.798 -9.127 8.037 1.00 43.21 C ATOM 961 CG2 VAL A 91 28.862 -10.528 9.787 1.00 11.33 C ATOM 0 H VAL A 91 27.668 -9.933 11.975 1.00 35.33 H new ATOM 0 HA VAL A 91 27.544 -7.814 10.151 1.00 24.53 H new ATOM 0 HB VAL A 91 26.811 -10.593 9.391 1.00 15.05 H new ATOM 0 HG11 VAL A 91 28.191 -9.855 7.327 1.00 43.21 H new ATOM 0 HG12 VAL A 91 26.855 -8.729 7.664 1.00 43.21 H new ATOM 0 HG13 VAL A 91 28.514 -8.313 8.156 1.00 43.21 H new ATOM 0 HG21 VAL A 91 29.129 -11.246 9.012 1.00 11.33 H new ATOM 0 HG22 VAL A 91 29.665 -9.799 9.899 1.00 11.33 H new ATOM 0 HG23 VAL A 91 28.714 -11.052 10.731 1.00 11.33 H new ATOM 971 N LYS A 92 24.671 -9.421 10.755 1.00 54.34 N ATOM 972 CA LYS A 92 23.236 -9.391 10.512 1.00 4.01 C ATOM 973 C LYS A 92 22.619 -8.108 11.064 1.00 31.22 C ATOM 974 O LYS A 92 21.695 -7.578 10.444 1.00 61.20 O ATOM 975 CB LYS A 92 22.585 -10.669 11.061 1.00 42.00 C ATOM 976 CG LYS A 92 21.169 -10.862 10.496 1.00 31.41 C ATOM 977 CD LYS A 92 20.089 -10.371 11.462 1.00 35.24 C ATOM 978 CE LYS A 92 18.766 -10.260 10.704 1.00 53.23 C ATOM 979 NZ LYS A 92 17.617 -10.187 11.622 1.00 61.24 N1+ ATOM 0 H LYS A 92 24.968 -10.118 11.438 1.00 54.34 H new ATOM 0 HA LYS A 92 23.045 -9.376 9.439 1.00 4.01 H new ATOM 0 HB2 LYS A 92 23.201 -11.532 10.807 1.00 42.00 H new ATOM 0 HB3 LYS A 92 22.541 -10.619 12.149 1.00 42.00 H new ATOM 0 HG2 LYS A 92 21.080 -10.325 9.551 1.00 31.41 H new ATOM 0 HG3 LYS A 92 21.007 -11.918 10.279 1.00 31.41 H new ATOM 0 HD2 LYS A 92 19.988 -11.062 12.299 1.00 35.24 H new ATOM 0 HD3 LYS A 92 20.367 -9.403 11.880 1.00 35.24 H new ATOM 0 HE2 LYS A 92 18.783 -9.373 10.071 1.00 53.23 H new ATOM 0 HE3 LYS A 92 18.651 -11.120 10.045 1.00 53.23 H new ATOM 0 HZ1 LYS A 92 17.020 -9.374 11.367 1.00 61.24 H new ATOM 0 HZ2 LYS A 92 17.059 -11.062 11.550 1.00 61.24 H new ATOM 0 HZ3 LYS A 92 17.959 -10.073 12.598 1.00 61.24 H new ATOM 993 N ALA A 93 23.120 -7.593 12.191 1.00 62.14 N ATOM 994 CA ALA A 93 22.741 -6.280 12.688 1.00 40.11 C ATOM 995 C ALA A 93 23.101 -5.225 11.648 1.00 75.22 C ATOM 996 O ALA A 93 22.229 -4.447 11.266 1.00 63.13 O ATOM 997 CB ALA A 93 23.406 -5.983 14.039 1.00 32.21 C ATOM 0 H ALA A 93 23.798 -8.079 12.779 1.00 62.14 H new ATOM 0 HA ALA A 93 21.664 -6.260 12.854 1.00 40.11 H new ATOM 0 HB1 ALA A 93 23.103 -4.994 14.384 1.00 32.21 H new ATOM 0 HB2 ALA A 93 23.098 -6.732 14.769 1.00 32.21 H new ATOM 0 HB3 ALA A 93 24.490 -6.011 13.925 1.00 32.21 H new ATOM 1003 N ALA A 94 24.351 -5.213 11.168 1.00 72.13 N ATOM 1004 CA ALA A 94 24.791 -4.276 10.138 1.00 23.31 C ATOM 1005 C ALA A 94 23.943 -4.393 8.868 1.00 60.31 C ATOM 1006 O ALA A 94 23.613 -3.371 8.267 1.00 24.11 O ATOM 1007 CB ALA A 94 26.273 -4.485 9.825 1.00 41.40 C ATOM 0 H ALA A 94 25.080 -5.852 11.484 1.00 72.13 H new ATOM 0 HA ALA A 94 24.656 -3.266 10.526 1.00 23.31 H new ATOM 0 HB1 ALA A 94 26.585 -3.779 9.056 1.00 41.40 H new ATOM 0 HB2 ALA A 94 26.862 -4.322 10.728 1.00 41.40 H new ATOM 0 HB3 ALA A 94 26.430 -5.503 9.468 1.00 41.40 H new ATOM 1013 N TYR A 95 23.555 -5.607 8.466 1.00 35.24 N ATOM 1014 CA TYR A 95 22.717 -5.796 7.298 1.00 24.21 C ATOM 1015 C TYR A 95 21.352 -5.147 7.511 1.00 33.54 C ATOM 1016 O TYR A 95 20.991 -4.266 6.733 1.00 40.02 O ATOM 1017 CB TYR A 95 22.607 -7.273 6.930 1.00 31.13 C ATOM 1018 CG TYR A 95 21.822 -7.506 5.650 1.00 11.32 C ATOM 1019 CD1 TYR A 95 22.411 -7.243 4.397 1.00 3.14 C ATOM 1020 CD2 TYR A 95 20.480 -7.929 5.711 1.00 54.14 C ATOM 1021 CE1 TYR A 95 21.663 -7.390 3.217 1.00 54.32 C ATOM 1022 CE2 TYR A 95 19.742 -8.116 4.529 1.00 22.14 C ATOM 1023 CZ TYR A 95 20.326 -7.830 3.276 1.00 60.52 C ATOM 1024 OH TYR A 95 19.614 -7.965 2.124 1.00 52.23 O ATOM 0 H TYR A 95 23.814 -6.472 8.941 1.00 35.24 H new ATOM 0 HA TYR A 95 23.186 -5.299 6.449 1.00 24.21 H new ATOM 0 HB2 TYR A 95 23.608 -7.690 6.818 1.00 31.13 H new ATOM 0 HB3 TYR A 95 22.128 -7.811 7.748 1.00 31.13 H new ATOM 0 HD1 TYR A 95 23.442 -6.927 4.344 1.00 3.14 H new ATOM 0 HD2 TYR A 95 20.016 -8.110 6.669 1.00 54.14 H new ATOM 0 HE1 TYR A 95 22.114 -7.165 2.262 1.00 54.32 H new ATOM 0 HE2 TYR A 95 18.726 -8.479 4.580 1.00 22.14 H new ATOM 0 HH TYR A 95 18.709 -8.278 2.333 1.00 52.23 H new ATOM 1034 N GLU A 96 20.597 -5.527 8.551 1.00 43.34 N ATOM 1035 CA GLU A 96 19.259 -4.956 8.741 1.00 3.02 C ATOM 1036 C GLU A 96 19.336 -3.436 8.934 1.00 44.20 C ATOM 1037 O GLU A 96 18.442 -2.709 8.491 1.00 10.12 O ATOM 1038 CB GLU A 96 18.502 -5.618 9.916 1.00 53.23 C ATOM 1039 CG GLU A 96 17.539 -6.707 9.424 1.00 12.13 C ATOM 1040 CD GLU A 96 16.314 -6.941 10.318 1.00 22.41 C ATOM 1041 OE1 GLU A 96 15.483 -6.009 10.485 1.00 72.22 O ATOM 1042 OE2 GLU A 96 16.133 -8.088 10.796 1.00 35.45 O1- ATOM 0 H GLU A 96 20.880 -6.208 9.255 1.00 43.34 H new ATOM 0 HA GLU A 96 18.692 -5.164 7.834 1.00 3.02 H new ATOM 0 HB2 GLU A 96 19.219 -6.053 10.613 1.00 53.23 H new ATOM 0 HB3 GLU A 96 17.944 -4.859 10.464 1.00 53.23 H new ATOM 0 HG2 GLU A 96 17.195 -6.442 8.424 1.00 12.13 H new ATOM 0 HG3 GLU A 96 18.089 -7.644 9.334 1.00 12.13 H new ATOM 1049 N ALA A 97 20.413 -2.954 9.559 1.00 54.13 N ATOM 1050 CA ALA A 97 20.701 -1.548 9.770 1.00 11.23 C ATOM 1051 C ALA A 97 20.855 -0.818 8.439 1.00 30.25 C ATOM 1052 O ALA A 97 20.051 0.063 8.146 1.00 24.34 O ATOM 1053 CB ALA A 97 21.957 -1.407 10.637 1.00 62.50 C ATOM 0 H ALA A 97 21.133 -3.565 9.945 1.00 54.13 H new ATOM 0 HA ALA A 97 19.864 -1.086 10.294 1.00 11.23 H new ATOM 0 HB1 ALA A 97 22.173 -0.350 10.795 1.00 62.50 H new ATOM 0 HB2 ALA A 97 21.791 -1.892 11.599 1.00 62.50 H new ATOM 0 HB3 ALA A 97 22.801 -1.879 10.134 1.00 62.50 H new ATOM 1059 N ALA A 98 21.876 -1.152 7.649 1.00 11.04 N ATOM 1060 CA ALA A 98 22.162 -0.468 6.395 1.00 21.22 C ATOM 1061 C ALA A 98 20.998 -0.633 5.415 1.00 43.02 C ATOM 1062 O ALA A 98 20.673 0.316 4.706 1.00 13.25 O ATOM 1063 CB ALA A 98 23.469 -0.997 5.798 1.00 44.11 C ATOM 0 H ALA A 98 22.527 -1.907 7.864 1.00 11.04 H new ATOM 0 HA ALA A 98 22.281 0.598 6.591 1.00 21.22 H new ATOM 0 HB1 ALA A 98 23.676 -0.481 4.861 1.00 44.11 H new ATOM 0 HB2 ALA A 98 24.286 -0.821 6.498 1.00 44.11 H new ATOM 0 HB3 ALA A 98 23.377 -2.067 5.610 1.00 44.11 H new ATOM 1069 N PHE A 99 20.336 -1.797 5.414 1.00 70.52 N ATOM 1070 CA PHE A 99 19.177 -2.059 4.571 1.00 65.22 C ATOM 1071 C PHE A 99 18.106 -1.021 4.874 1.00 41.30 C ATOM 1072 O PHE A 99 17.758 -0.233 3.995 1.00 33.24 O ATOM 1073 CB PHE A 99 18.652 -3.492 4.765 1.00 61.53 C ATOM 1074 CG PHE A 99 17.441 -3.812 3.904 1.00 53.11 C ATOM 1075 CD1 PHE A 99 17.620 -4.348 2.614 1.00 70.43 C ATOM 1076 CD2 PHE A 99 16.136 -3.548 4.370 1.00 62.34 C ATOM 1077 CE1 PHE A 99 16.505 -4.606 1.796 1.00 72.24 C ATOM 1078 CE2 PHE A 99 15.025 -3.790 3.545 1.00 30.41 C ATOM 1079 CZ PHE A 99 15.208 -4.316 2.255 1.00 65.13 C ATOM 0 H PHE A 99 20.597 -2.586 6.006 1.00 70.52 H new ATOM 0 HA PHE A 99 19.466 -1.978 3.523 1.00 65.22 H new ATOM 0 HB2 PHE A 99 19.450 -4.198 4.534 1.00 61.53 H new ATOM 0 HB3 PHE A 99 18.392 -3.637 5.814 1.00 61.53 H new ATOM 0 HD1 PHE A 99 18.615 -4.561 2.252 1.00 70.43 H new ATOM 0 HD2 PHE A 99 15.990 -3.158 5.366 1.00 62.34 H new ATOM 0 HE1 PHE A 99 16.646 -5.028 0.812 1.00 72.24 H new ATOM 0 HE2 PHE A 99 14.030 -3.572 3.903 1.00 30.41 H new ATOM 0 HZ PHE A 99 14.355 -4.497 1.618 1.00 65.13 H new ATOM 1089 N ASN A 100 17.593 -0.993 6.113 1.00 5.11 N ATOM 1090 CA ASN A 100 16.513 -0.076 6.443 1.00 25.54 C ATOM 1091 C ASN A 100 16.941 1.371 6.275 1.00 22.43 C ATOM 1092 O ASN A 100 16.135 2.188 5.834 1.00 21.33 O ATOM 1093 CB ASN A 100 15.953 -0.313 7.851 1.00 73.33 C ATOM 1094 CG ASN A 100 16.710 0.372 8.986 1.00 3.24 C ATOM 1095 OD1 ASN A 100 16.622 1.574 9.194 1.00 72.10 O ATOM 1096 ND2 ASN A 100 17.457 -0.388 9.762 1.00 4.31 N ATOM 0 H ASN A 100 17.906 -1.585 6.883 1.00 5.11 H new ATOM 0 HA ASN A 100 15.710 -0.281 5.735 1.00 25.54 H new ATOM 0 HB2 ASN A 100 14.917 0.026 7.872 1.00 73.33 H new ATOM 0 HB3 ASN A 100 15.941 -1.386 8.042 1.00 73.33 H new ATOM 0 HD21 ASN A 100 17.967 0.026 10.543 1.00 4.31 H new ATOM 0 HD22 ASN A 100 17.525 -1.390 9.582 1.00 4.31 H new ATOM 1103 N ASN A 101 18.199 1.668 6.590 1.00 43.21 N ATOM 1104 CA ASN A 101 18.763 2.995 6.534 1.00 62.50 C ATOM 1105 C ASN A 101 18.701 3.539 5.115 1.00 5.05 C ATOM 1106 O ASN A 101 18.147 4.622 4.915 1.00 65.53 O ATOM 1107 CB ASN A 101 20.199 2.933 7.037 1.00 62.23 C ATOM 1108 CG ASN A 101 20.928 4.224 6.747 1.00 23.21 C ATOM 1109 OD1 ASN A 101 20.740 5.207 7.455 1.00 61.41 O ATOM 1110 ND2 ASN A 101 21.759 4.231 5.722 1.00 34.54 N ATOM 0 H ASN A 101 18.867 0.963 6.900 1.00 43.21 H new ATOM 0 HA ASN A 101 18.189 3.672 7.167 1.00 62.50 H new ATOM 0 HB2 ASN A 101 20.205 2.741 8.110 1.00 62.23 H new ATOM 0 HB3 ASN A 101 20.720 2.102 6.561 1.00 62.23 H new ATOM 0 HD21 ASN A 101 22.277 5.079 5.491 1.00 34.54 H new ATOM 0 HD22 ASN A 101 21.883 3.389 5.161 1.00 34.54 H new ATOM 1117 N ALA A 102 19.268 2.797 4.159 1.00 51.10 N ATOM 1118 CA ALA A 102 19.350 3.205 2.765 1.00 23.41 C ATOM 1119 C ALA A 102 17.947 3.254 2.172 1.00 31.41 C ATOM 1120 O ALA A 102 17.579 4.231 1.528 1.00 50.33 O ATOM 1121 CB ALA A 102 20.236 2.229 1.982 1.00 52.33 C ATOM 0 H ALA A 102 19.687 1.885 4.340 1.00 51.10 H new ATOM 0 HA ALA A 102 19.797 4.197 2.700 1.00 23.41 H new ATOM 0 HB1 ALA A 102 20.291 2.543 0.940 1.00 52.33 H new ATOM 0 HB2 ALA A 102 21.238 2.222 2.412 1.00 52.33 H new ATOM 0 HB3 ALA A 102 19.810 1.227 2.037 1.00 52.33 H new ATOM 1127 N PHE A 103 17.146 2.216 2.422 1.00 11.14 N ATOM 1128 CA PHE A 103 15.785 2.108 1.919 1.00 45.34 C ATOM 1129 C PHE A 103 14.972 3.333 2.333 1.00 32.21 C ATOM 1130 O PHE A 103 14.407 4.022 1.479 1.00 14.12 O ATOM 1131 CB PHE A 103 15.172 0.793 2.416 1.00 22.21 C ATOM 1132 CG PHE A 103 13.927 0.354 1.676 1.00 24.23 C ATOM 1133 CD1 PHE A 103 12.764 1.151 1.665 1.00 70.23 C ATOM 1134 CD2 PHE A 103 13.934 -0.875 0.989 1.00 61.13 C ATOM 1135 CE1 PHE A 103 11.643 0.747 0.925 1.00 71.50 C ATOM 1136 CE2 PHE A 103 12.799 -1.286 0.278 1.00 24.42 C ATOM 1137 CZ PHE A 103 11.657 -0.474 0.235 1.00 11.31 C ATOM 0 H PHE A 103 17.434 1.418 2.988 1.00 11.14 H new ATOM 0 HA PHE A 103 15.781 2.086 0.829 1.00 45.34 H new ATOM 0 HB2 PHE A 103 15.922 0.006 2.336 1.00 22.21 H new ATOM 0 HB3 PHE A 103 14.931 0.898 3.474 1.00 22.21 H new ATOM 0 HD1 PHE A 103 12.736 2.073 2.227 1.00 70.23 H new ATOM 0 HD2 PHE A 103 14.814 -1.501 1.010 1.00 61.13 H new ATOM 0 HE1 PHE A 103 10.767 1.378 0.886 1.00 71.50 H new ATOM 0 HE2 PHE A 103 12.804 -2.234 -0.240 1.00 24.42 H new ATOM 0 HZ PHE A 103 10.790 -0.788 -0.328 1.00 11.31 H new ATOM 1147 N ASN A 104 14.904 3.616 3.639 1.00 74.21 N ATOM 1148 CA ASN A 104 14.113 4.736 4.132 1.00 64.23 C ATOM 1149 C ASN A 104 14.679 6.036 3.591 1.00 21.32 C ATOM 1150 O ASN A 104 13.904 6.900 3.197 1.00 61.13 O ATOM 1151 CB ASN A 104 14.068 4.818 5.667 1.00 74.22 C ATOM 1152 CG ASN A 104 12.634 4.938 6.150 1.00 65.12 C ATOM 1153 OD1 ASN A 104 12.097 3.988 6.712 1.00 25.12 O ATOM 1154 ND2 ASN A 104 11.997 6.076 5.957 1.00 10.31 N ATOM 0 H ASN A 104 15.386 3.085 4.365 1.00 74.21 H new ATOM 0 HA ASN A 104 13.093 4.573 3.783 1.00 64.23 H new ATOM 0 HB2 ASN A 104 14.530 3.930 6.098 1.00 74.22 H new ATOM 0 HB3 ASN A 104 14.646 5.677 6.009 1.00 74.22 H new ATOM 0 HD21 ASN A 104 11.035 6.182 6.278 1.00 10.31 H new ATOM 0 HD22 ASN A 104 12.467 6.850 5.487 1.00 10.31 H new ATOM 1161 N ALA A 105 16.010 6.182 3.568 1.00 30.51 N ATOM 1162 CA ALA A 105 16.660 7.388 3.089 1.00 54.11 C ATOM 1163 C ALA A 105 16.226 7.684 1.654 1.00 64.10 C ATOM 1164 O ALA A 105 15.689 8.770 1.423 1.00 12.22 O ATOM 1165 CB ALA A 105 18.183 7.293 3.217 1.00 5.14 C ATOM 0 H ALA A 105 16.659 5.461 3.883 1.00 30.51 H new ATOM 0 HA ALA A 105 16.346 8.223 3.716 1.00 54.11 H new ATOM 0 HB1 ALA A 105 18.637 8.213 2.849 1.00 5.14 H new ATOM 0 HB2 ALA A 105 18.452 7.149 4.263 1.00 5.14 H new ATOM 0 HB3 ALA A 105 18.546 6.449 2.630 1.00 5.14 H new ATOM 1171 N VAL A 106 16.400 6.744 0.717 1.00 22.23 N ATOM 1172 CA VAL A 106 15.999 6.944 -0.672 1.00 43.23 C ATOM 1173 C VAL A 106 14.486 7.212 -0.741 1.00 61.10 C ATOM 1174 O VAL A 106 14.083 8.195 -1.362 1.00 64.33 O ATOM 1175 CB VAL A 106 16.479 5.768 -1.553 1.00 12.24 C ATOM 1176 CG1 VAL A 106 16.097 5.978 -3.026 1.00 5.05 C ATOM 1177 CG2 VAL A 106 18.011 5.622 -1.521 1.00 5.11 C ATOM 0 H VAL A 106 16.819 5.833 0.902 1.00 22.23 H new ATOM 0 HA VAL A 106 16.486 7.828 -1.084 1.00 43.23 H new ATOM 0 HB VAL A 106 15.996 4.880 -1.146 1.00 12.24 H new ATOM 0 HG11 VAL A 106 16.450 5.133 -3.617 1.00 5.05 H new ATOM 0 HG12 VAL A 106 15.013 6.055 -3.113 1.00 5.05 H new ATOM 0 HG13 VAL A 106 16.557 6.895 -3.394 1.00 5.05 H new ATOM 0 HG21 VAL A 106 18.310 4.785 -2.152 1.00 5.11 H new ATOM 0 HG22 VAL A 106 18.472 6.538 -1.891 1.00 5.11 H new ATOM 0 HG23 VAL A 106 18.338 5.439 -0.497 1.00 5.11 H new ATOM 1187 N ARG A 107 13.637 6.440 -0.046 1.00 41.30 N ATOM 1188 CA ARG A 107 12.188 6.697 0.005 1.00 32.11 C ATOM 1189 C ARG A 107 11.904 8.147 0.412 1.00 30.55 C ATOM 1190 O ARG A 107 11.166 8.837 -0.294 1.00 23.21 O ATOM 1191 CB ARG A 107 11.495 5.650 0.907 1.00 24.51 C ATOM 1192 CG ARG A 107 10.046 5.968 1.336 1.00 33.31 C ATOM 1193 CD ARG A 107 9.769 5.674 2.813 1.00 45.03 C ATOM 1194 NE ARG A 107 9.644 4.234 3.087 1.00 50.10 N ATOM 1195 CZ ARG A 107 9.324 3.699 4.273 1.00 14.03 C ATOM 1196 NH1 ARG A 107 9.144 4.468 5.341 1.00 53.01 N1+ ATOM 1197 NH2 ARG A 107 9.165 2.390 4.391 1.00 73.41 N ATOM 0 H ARG A 107 13.932 5.626 0.493 1.00 41.30 H new ATOM 0 HA ARG A 107 11.760 6.582 -0.991 1.00 32.11 H new ATOM 0 HB2 ARG A 107 11.495 4.694 0.383 1.00 24.51 H new ATOM 0 HB3 ARG A 107 12.097 5.521 1.806 1.00 24.51 H new ATOM 0 HG2 ARG A 107 9.839 7.020 1.138 1.00 33.31 H new ATOM 0 HG3 ARG A 107 9.358 5.387 0.722 1.00 33.31 H new ATOM 0 HD2 ARG A 107 10.575 6.087 3.420 1.00 45.03 H new ATOM 0 HD3 ARG A 107 8.851 6.179 3.115 1.00 45.03 H new ATOM 0 HE ARG A 107 9.814 3.592 2.313 1.00 50.10 H new ATOM 0 HH11 ARG A 107 9.249 5.480 5.265 1.00 53.01 H new ATOM 0 HH12 ARG A 107 8.901 4.047 6.238 1.00 53.01 H new ATOM 0 HH21 ARG A 107 9.286 1.786 3.578 1.00 73.41 H new ATOM 0 HH22 ARG A 107 8.921 1.985 5.295 1.00 73.41 H new ATOM 1211 N ASN A 108 12.455 8.615 1.535 1.00 74.13 N ATOM 1212 CA ASN A 108 12.240 9.957 2.059 1.00 4.31 C ATOM 1213 C ASN A 108 12.710 11.007 1.048 1.00 53.42 C ATOM 1214 O ASN A 108 12.052 12.030 0.834 1.00 22.34 O ATOM 1215 CB ASN A 108 12.950 10.130 3.410 1.00 23.41 C ATOM 1216 CG ASN A 108 12.240 9.406 4.547 1.00 14.03 C ATOM 1217 OD1 ASN A 108 12.851 8.620 5.257 1.00 64.23 O ATOM 1218 ND2 ASN A 108 10.950 9.618 4.750 1.00 10.05 N ATOM 0 H ASN A 108 13.078 8.053 2.116 1.00 74.13 H new ATOM 0 HA ASN A 108 11.172 10.100 2.222 1.00 4.31 H new ATOM 0 HB2 ASN A 108 13.971 9.757 3.329 1.00 23.41 H new ATOM 0 HB3 ASN A 108 13.017 11.192 3.647 1.00 23.41 H new ATOM 0 HD21 ASN A 108 10.464 9.126 5.499 1.00 10.05 H new ATOM 0 HD22 ASN A 108 10.441 10.274 4.157 1.00 10.05 H new ATOM 1225 N LYS A 109 13.852 10.754 0.408 1.00 14.15 N ATOM 1226 CA LYS A 109 14.442 11.634 -0.587 1.00 3.41 C ATOM 1227 C LYS A 109 13.512 11.758 -1.793 1.00 64.10 C ATOM 1228 O LYS A 109 13.299 12.875 -2.257 1.00 43.02 O ATOM 1229 CB LYS A 109 15.812 11.063 -0.975 1.00 70.10 C ATOM 1230 CG LYS A 109 16.764 12.061 -1.637 1.00 4.12 C ATOM 1231 CD LYS A 109 17.954 11.250 -2.160 1.00 31.31 C ATOM 1232 CE LYS A 109 19.081 12.102 -2.738 1.00 2.15 C ATOM 1233 NZ LYS A 109 19.981 12.664 -1.709 1.00 50.03 N1+ ATOM 0 H LYS A 109 14.401 9.911 0.575 1.00 14.15 H new ATOM 0 HA LYS A 109 14.578 12.638 -0.186 1.00 3.41 H new ATOM 0 HB2 LYS A 109 16.290 10.666 -0.080 1.00 70.10 H new ATOM 0 HB3 LYS A 109 15.660 10.224 -1.654 1.00 70.10 H new ATOM 0 HG2 LYS A 109 16.267 12.589 -2.451 1.00 4.12 H new ATOM 0 HG3 LYS A 109 17.093 12.815 -0.922 1.00 4.12 H new ATOM 0 HD2 LYS A 109 18.352 10.643 -1.347 1.00 31.31 H new ATOM 0 HD3 LYS A 109 17.602 10.562 -2.929 1.00 31.31 H new ATOM 0 HE2 LYS A 109 19.666 11.496 -3.430 1.00 2.15 H new ATOM 0 HE3 LYS A 109 18.649 12.918 -3.317 1.00 2.15 H new ATOM 0 HZ1 LYS A 109 20.722 13.231 -2.168 1.00 50.03 H new ATOM 0 HZ2 LYS A 109 19.435 13.268 -1.062 1.00 50.03 H new ATOM 0 HZ3 LYS A 109 20.420 11.890 -1.172 1.00 50.03 H new ATOM 1247 N TYR A 110 12.920 10.659 -2.266 1.00 32.42 N ATOM 1248 CA TYR A 110 11.961 10.670 -3.368 1.00 71.11 C ATOM 1249 C TYR A 110 10.734 11.503 -2.999 1.00 33.55 C ATOM 1250 O TYR A 110 10.401 12.442 -3.725 1.00 74.44 O ATOM 1251 CB TYR A 110 11.584 9.238 -3.795 1.00 65.21 C ATOM 1252 CG TYR A 110 12.490 8.684 -4.879 1.00 23.21 C ATOM 1253 CD1 TYR A 110 13.873 8.563 -4.648 1.00 4.45 C ATOM 1254 CD2 TYR A 110 11.969 8.350 -6.147 1.00 44.42 C ATOM 1255 CE1 TYR A 110 14.734 8.145 -5.671 1.00 1.11 C ATOM 1256 CE2 TYR A 110 12.833 7.956 -7.184 1.00 32.33 C ATOM 1257 CZ TYR A 110 14.222 7.872 -6.953 1.00 71.23 C ATOM 1258 OH TYR A 110 15.068 7.566 -7.967 1.00 65.31 O ATOM 0 H TYR A 110 13.096 9.728 -1.889 1.00 32.42 H new ATOM 0 HA TYR A 110 12.431 11.141 -4.232 1.00 71.11 H new ATOM 0 HB2 TYR A 110 11.625 8.583 -2.925 1.00 65.21 H new ATOM 0 HB3 TYR A 110 10.554 9.230 -4.151 1.00 65.21 H new ATOM 0 HD1 TYR A 110 14.274 8.795 -3.673 1.00 4.45 H new ATOM 0 HD2 TYR A 110 10.904 8.397 -6.321 1.00 44.42 H new ATOM 0 HE1 TYR A 110 15.790 8.032 -5.476 1.00 1.11 H new ATOM 0 HE2 TYR A 110 12.433 7.717 -8.158 1.00 32.33 H new ATOM 0 HH TYR A 110 15.863 7.120 -7.607 1.00 65.31 H new ATOM 1268 N VAL A 111 10.072 11.192 -1.874 1.00 11.24 N ATOM 1269 CA VAL A 111 8.857 11.912 -1.479 1.00 12.44 C ATOM 1270 C VAL A 111 9.116 13.415 -1.420 1.00 13.22 C ATOM 1271 O VAL A 111 8.329 14.214 -1.926 1.00 45.12 O ATOM 1272 CB VAL A 111 8.215 11.347 -0.193 1.00 23.34 C ATOM 1273 CG1 VAL A 111 9.117 11.297 1.030 1.00 34.34 C ATOM 1274 CG2 VAL A 111 6.953 12.111 0.203 1.00 11.43 C ATOM 0 H VAL A 111 10.356 10.454 -1.229 1.00 11.24 H new ATOM 0 HA VAL A 111 8.108 11.747 -2.253 1.00 12.44 H new ATOM 0 HB VAL A 111 7.990 10.319 -0.478 1.00 23.34 H new ATOM 0 HG11 VAL A 111 8.564 10.884 1.873 1.00 34.34 H new ATOM 0 HG12 VAL A 111 9.981 10.667 0.819 1.00 34.34 H new ATOM 0 HG13 VAL A 111 9.454 12.304 1.275 1.00 34.34 H new ATOM 0 HG21 VAL A 111 6.536 11.678 1.113 1.00 11.43 H new ATOM 0 HG22 VAL A 111 7.202 13.157 0.380 1.00 11.43 H new ATOM 0 HG23 VAL A 111 6.219 12.043 -0.600 1.00 11.43 H new ATOM 1284 N GLN A 112 10.248 13.808 -0.837 1.00 53.42 N ATOM 1285 CA GLN A 112 10.518 15.232 -0.660 1.00 14.44 C ATOM 1286 C GLN A 112 10.889 15.906 -1.975 1.00 51.31 C ATOM 1287 O GLN A 112 10.484 17.041 -2.208 1.00 11.33 O ATOM 1288 CB GLN A 112 11.520 15.529 0.458 1.00 34.11 C ATOM 1289 CG GLN A 112 12.955 15.070 0.229 1.00 1.34 C ATOM 1290 CD GLN A 112 13.830 15.989 -0.626 1.00 71.51 C ATOM 1291 OE1 GLN A 112 13.913 17.187 -0.387 1.00 73.44 O ATOM 1292 NE2 GLN A 112 14.534 15.439 -1.603 1.00 25.53 N ATOM 0 H GLN A 112 10.973 13.181 -0.489 1.00 53.42 H new ATOM 0 HA GLN A 112 9.581 15.677 -0.326 1.00 14.44 H new ATOM 0 HB2 GLN A 112 11.530 16.605 0.629 1.00 34.11 H new ATOM 0 HB3 GLN A 112 11.156 15.064 1.374 1.00 34.11 H new ATOM 0 HG2 GLN A 112 13.434 14.947 1.200 1.00 1.34 H new ATOM 0 HG3 GLN A 112 12.929 14.087 -0.241 1.00 1.34 H new ATOM 0 HE21 GLN A 112 14.454 14.439 -1.789 1.00 25.53 H new ATOM 0 HE22 GLN A 112 15.157 16.015 -2.169 1.00 25.53 H new ATOM 1301 N ARG A 113 11.626 15.216 -2.854 1.00 73.21 N ATOM 1302 CA ARG A 113 11.991 15.758 -4.159 1.00 50.21 C ATOM 1303 C ARG A 113 10.736 15.985 -4.980 1.00 63.32 C ATOM 1304 O ARG A 113 10.722 16.913 -5.783 1.00 70.52 O ATOM 1305 CB ARG A 113 12.941 14.797 -4.893 1.00 25.41 C ATOM 1306 CG ARG A 113 13.692 15.400 -6.088 1.00 50.22 C ATOM 1307 CD ARG A 113 14.741 14.401 -6.607 1.00 70.52 C ATOM 1308 NE ARG A 113 14.861 14.412 -8.078 1.00 43.13 N ATOM 1309 CZ ARG A 113 14.367 13.500 -8.930 1.00 51.24 C ATOM 1310 NH1 ARG A 113 13.618 12.493 -8.490 1.00 32.21 N1+ ATOM 1311 NH2 ARG A 113 14.624 13.594 -10.228 1.00 62.53 N ATOM 0 H ARG A 113 11.981 14.276 -2.679 1.00 73.21 H new ATOM 0 HA ARG A 113 12.507 16.708 -4.019 1.00 50.21 H new ATOM 0 HB2 ARG A 113 13.673 14.420 -4.178 1.00 25.41 H new ATOM 0 HB3 ARG A 113 12.365 13.940 -5.242 1.00 25.41 H new ATOM 0 HG2 ARG A 113 12.989 15.648 -6.883 1.00 50.22 H new ATOM 0 HG3 ARG A 113 14.178 16.329 -5.791 1.00 50.22 H new ATOM 0 HD2 ARG A 113 15.710 14.636 -6.166 1.00 70.52 H new ATOM 0 HD3 ARG A 113 14.475 13.397 -6.276 1.00 70.52 H new ATOM 0 HE ARG A 113 15.372 15.193 -8.490 1.00 43.13 H new ATOM 0 HH11 ARG A 113 13.413 12.407 -7.495 1.00 32.21 H new ATOM 0 HH12 ARG A 113 13.249 11.807 -9.148 1.00 32.21 H new ATOM 0 HH21 ARG A 113 15.198 14.360 -10.580 1.00 62.53 H new ATOM 0 HH22 ARG A 113 14.248 12.900 -10.874 1.00 62.53 H new ATOM 1325 N PHE A 114 9.692 15.164 -4.798 1.00 51.12 N ATOM 1326 CA PHE A 114 8.460 15.376 -5.540 1.00 31.24 C ATOM 1327 C PHE A 114 7.704 16.524 -4.852 1.00 43.45 C ATOM 1328 O PHE A 114 7.339 17.485 -5.521 1.00 52.12 O ATOM 1329 CB PHE A 114 7.660 14.067 -5.698 1.00 4.23 C ATOM 1330 CG PHE A 114 6.512 13.760 -4.756 1.00 65.31 C ATOM 1331 CD1 PHE A 114 5.380 14.598 -4.704 1.00 42.11 C ATOM 1332 CD2 PHE A 114 6.497 12.557 -4.038 1.00 11.50 C ATOM 1333 CE1 PHE A 114 4.301 14.297 -3.860 1.00 62.23 C ATOM 1334 CE2 PHE A 114 5.423 12.254 -3.195 1.00 14.53 C ATOM 1335 CZ PHE A 114 4.329 13.126 -3.087 1.00 12.44 C ATOM 0 H PHE A 114 9.682 14.369 -4.159 1.00 51.12 H new ATOM 0 HA PHE A 114 8.656 15.674 -6.570 1.00 31.24 H new ATOM 0 HB2 PHE A 114 7.260 14.052 -6.712 1.00 4.23 H new ATOM 0 HB3 PHE A 114 8.369 13.243 -5.623 1.00 4.23 H new ATOM 0 HD1 PHE A 114 5.343 15.483 -5.322 1.00 42.11 H new ATOM 0 HD2 PHE A 114 7.317 11.861 -4.136 1.00 11.50 H new ATOM 0 HE1 PHE A 114 3.453 14.963 -3.805 1.00 62.23 H new ATOM 0 HE2 PHE A 114 5.436 11.339 -2.621 1.00 14.53 H new ATOM 0 HZ PHE A 114 3.515 12.898 -2.415 1.00 12.44 H new ATOM 1345 N GLN A 115 7.494 16.477 -3.526 1.00 13.21 N ATOM 1346 CA GLN A 115 6.727 17.487 -2.788 1.00 33.20 C ATOM 1347 C GLN A 115 7.293 18.879 -3.053 1.00 64.41 C ATOM 1348 O GLN A 115 6.598 19.745 -3.580 1.00 23.33 O ATOM 1349 CB GLN A 115 6.747 17.214 -1.277 1.00 63.52 C ATOM 1350 CG GLN A 115 5.709 16.193 -0.795 1.00 61.43 C ATOM 1351 CD GLN A 115 5.731 16.045 0.731 1.00 4.24 C ATOM 1352 OE1 GLN A 115 6.051 16.966 1.479 1.00 30.50 O ATOM 1353 NE2 GLN A 115 5.438 14.866 1.243 1.00 73.04 N ATOM 0 H GLN A 115 7.856 15.730 -2.934 1.00 13.21 H new ATOM 0 HA GLN A 115 5.696 17.435 -3.138 1.00 33.20 H new ATOM 0 HB2 GLN A 115 7.740 16.861 -0.999 1.00 63.52 H new ATOM 0 HB3 GLN A 115 6.584 18.154 -0.750 1.00 63.52 H new ATOM 0 HG2 GLN A 115 4.715 16.504 -1.117 1.00 61.43 H new ATOM 0 HG3 GLN A 115 5.906 15.226 -1.258 1.00 61.43 H new ATOM 0 HE21 GLN A 115 5.171 14.096 0.630 1.00 73.04 H new ATOM 0 HE22 GLN A 115 5.478 14.724 2.252 1.00 73.04 H new