USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 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 115 THR OG1 : rot -80:sc= 0.0492 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.62 X(o=-0.57,f=-0.67) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 37:sc= 0.224 USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0187 (180deg=-0.222) USER MOD Single : A 45 CYS SG : rot 163:sc= 1.12 USER MOD Single : A 50 SER OG : rot -28:sc= 0.343 USER MOD Single : A 51 SER OG : rot -81:sc= 0.849 USER MOD Single : A 54 THR OG1 : rot -11:sc= 0.967 USER MOD Single : A 59 ASN : amide:sc= -1.95! C(o=-2!,f=-4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 65 THR OG1 : rot 86:sc= 0.999 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.0008) USER MOD Single : A 68 GLN : amide:sc= 0.399 K(o=0.4,f=-0.34) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 80:sc= 0.264 USER MOD Single : A 74 SER OG : rot 83:sc= 1.08 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0449 USER MOD Single : A 79 CYS SG : rot -27:sc= 0.348 USER MOD Single : A 82 GLN : amide:sc= -0.67 X(o=-0.67,f=-0.56) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.737 K(o=-0.74,f=-3.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 71:sc= 0.909 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 170:sc= -0.754 USER MOD Single : A 101 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.71) USER MOD Single : A 104 GLN : amide:sc= -1.98! K(o=-2!,f=-0.97) USER MOD Single : A 106 SER OG : rot 86:sc= 0.374 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0588 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 121 ASN : amide:sc= -0.362 K(o=-0.36,f=-4!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 70:sc= 0.00294 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 130 SER OG : rot -79:sc= 0.0462 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.578 -11.604 -11.046 1.00 2.25 N ATOM 529 CA LYS A 36 -7.714 -11.097 -12.117 1.00 21.43 C ATOM 530 C LYS A 36 -6.474 -10.381 -11.543 1.00 34.04 C ATOM 531 O LYS A 36 -5.461 -10.229 -12.235 1.00 44.24 O ATOM 532 CB LYS A 36 -8.534 -10.158 -13.030 1.00 4.44 C ATOM 533 CG LYS A 36 -7.765 -9.557 -14.215 1.00 71.14 C ATOM 534 CD LYS A 36 -7.100 -8.223 -13.866 1.00 52.43 C ATOM 535 CE LYS A 36 -6.296 -7.668 -15.035 1.00 71.52 C ATOM 536 NZ LYS A 36 -5.673 -6.361 -14.703 1.00 15.30 N ATOM 0 HA LYS A 36 -7.349 -11.937 -12.708 1.00 21.43 H new ATOM 0 HB2 LYS A 36 -9.390 -10.711 -13.417 1.00 4.44 H new ATOM 0 HB3 LYS A 36 -8.929 -9.343 -12.424 1.00 4.44 H new ATOM 0 HG2 LYS A 36 -7.004 -10.263 -14.546 1.00 71.14 H new ATOM 0 HG3 LYS A 36 -8.449 -9.411 -15.051 1.00 71.14 H new ATOM 0 HD2 LYS A 36 -7.864 -7.502 -13.575 1.00 52.43 H new ATOM 0 HD3 LYS A 36 -6.445 -8.358 -13.006 1.00 52.43 H new ATOM 0 HE2 LYS A 36 -5.520 -8.381 -15.314 1.00 71.52 H new ATOM 0 HE3 LYS A 36 -6.947 -7.551 -15.901 1.00 71.52 H new ATOM 0 HZ1 LYS A 36 -5.134 -6.015 -15.523 1.00 15.30 H new ATOM 0 HZ2 LYS A 36 -6.415 -5.674 -14.462 1.00 15.30 H new ATOM 0 HZ3 LYS A 36 -5.032 -6.478 -13.892 1.00 15.30 H new ATOM 550 N ILE A 37 -6.555 -9.951 -10.279 1.00 60.25 N ATOM 551 CA ILE A 37 -5.445 -9.241 -9.622 1.00 44.43 C ATOM 552 C ILE A 37 -4.146 -10.058 -9.679 1.00 2.12 C ATOM 553 O ILE A 37 -3.956 -11.008 -8.920 1.00 73.04 O ATOM 554 CB ILE A 37 -5.775 -8.901 -8.143 1.00 41.51 C ATOM 555 CG1 ILE A 37 -7.053 -8.045 -8.060 1.00 30.21 C ATOM 556 CG2 ILE A 37 -4.597 -8.187 -7.470 1.00 11.30 C ATOM 557 CD1 ILE A 37 -6.970 -6.734 -8.816 1.00 41.10 C ATOM 0 H ILE A 37 -7.376 -10.081 -9.688 1.00 60.25 H new ATOM 0 HA ILE A 37 -5.304 -8.310 -10.171 1.00 44.43 H new ATOM 0 HB ILE A 37 -5.951 -9.835 -7.609 1.00 41.51 H new ATOM 0 HG12 ILE A 37 -7.891 -8.624 -8.449 1.00 30.21 H new ATOM 0 HG13 ILE A 37 -7.269 -7.835 -7.013 1.00 30.21 H new ATOM 0 HG21 ILE A 37 -4.853 -7.959 -6.435 1.00 11.30 H new ATOM 0 HG22 ILE A 37 -3.719 -8.832 -7.493 1.00 11.30 H new ATOM 0 HG23 ILE A 37 -4.381 -7.261 -8.002 1.00 11.30 H new ATOM 0 HD11 ILE A 37 -7.909 -6.191 -8.708 1.00 41.10 H new ATOM 0 HD12 ILE A 37 -6.155 -6.133 -8.413 1.00 41.10 H new ATOM 0 HD13 ILE A 37 -6.786 -6.934 -9.872 1.00 41.10 H new ATOM 569 N SER A 38 -3.261 -9.683 -10.597 1.00 72.41 N ATOM 570 CA SER A 38 -2.012 -10.421 -10.811 1.00 14.10 C ATOM 571 C SER A 38 -0.883 -9.895 -9.911 1.00 55.44 C ATOM 572 O SER A 38 -0.810 -8.699 -9.620 1.00 43.24 O ATOM 573 CB SER A 38 -1.595 -10.330 -12.286 1.00 74.15 C ATOM 574 OG SER A 38 -2.650 -10.746 -13.145 1.00 11.04 O ATOM 0 H SER A 38 -3.381 -8.874 -11.206 1.00 72.41 H new ATOM 0 HA SER A 38 -2.190 -11.463 -10.547 1.00 14.10 H new ATOM 0 HB2 SER A 38 -1.311 -9.305 -12.524 1.00 74.15 H new ATOM 0 HB3 SER A 38 -0.716 -10.952 -12.457 1.00 74.15 H new ATOM 0 HG SER A 38 -3.509 -10.453 -12.774 1.00 11.04 H new ATOM 580 N LYS A 39 -0.004 -10.803 -9.483 1.00 45.01 N ATOM 581 CA LYS A 39 1.136 -10.465 -8.611 1.00 13.04 C ATOM 582 C LYS A 39 1.926 -9.249 -9.128 1.00 23.33 C ATOM 583 O LYS A 39 2.110 -8.263 -8.408 1.00 1.11 O ATOM 584 CB LYS A 39 2.059 -11.689 -8.478 1.00 2.30 C ATOM 585 CG LYS A 39 3.428 -11.393 -7.864 1.00 44.51 C ATOM 586 CD LYS A 39 4.259 -12.669 -7.699 1.00 34.01 C ATOM 587 CE LYS A 39 5.704 -12.365 -7.318 1.00 11.34 C ATOM 588 NZ LYS A 39 6.431 -11.669 -8.413 1.00 31.22 N ATOM 0 H LYS A 39 -0.057 -11.792 -9.727 1.00 45.01 H new ATOM 0 HA LYS A 39 0.741 -10.192 -7.633 1.00 13.04 H new ATOM 0 HB2 LYS A 39 1.557 -12.441 -7.869 1.00 2.30 H new ATOM 0 HB3 LYS A 39 2.206 -12.126 -9.466 1.00 2.30 H new ATOM 0 HG2 LYS A 39 3.966 -10.687 -8.496 1.00 44.51 H new ATOM 0 HG3 LYS A 39 3.297 -10.915 -6.893 1.00 44.51 H new ATOM 0 HD2 LYS A 39 3.807 -13.299 -6.933 1.00 34.01 H new ATOM 0 HD3 LYS A 39 4.241 -13.236 -8.630 1.00 34.01 H new ATOM 0 HE2 LYS A 39 5.721 -11.746 -6.421 1.00 11.34 H new ATOM 0 HE3 LYS A 39 6.218 -13.294 -7.074 1.00 11.34 H new ATOM 0 HZ1 LYS A 39 7.454 -11.705 -8.228 1.00 31.22 H new ATOM 0 HZ2 LYS A 39 6.226 -12.137 -9.319 1.00 31.22 H new ATOM 0 HZ3 LYS A 39 6.122 -10.677 -8.459 1.00 31.22 H new ATOM 602 N GLU A 40 2.383 -9.321 -10.375 1.00 45.13 N ATOM 603 CA GLU A 40 3.147 -8.225 -10.986 1.00 43.30 C ATOM 604 C GLU A 40 2.321 -6.931 -11.076 1.00 61.15 C ATOM 605 O GLU A 40 2.834 -5.840 -10.824 1.00 41.32 O ATOM 606 CB GLU A 40 3.646 -8.635 -12.376 1.00 33.40 C ATOM 607 CG GLU A 40 2.539 -9.023 -13.352 1.00 72.22 C ATOM 608 CD GLU A 40 3.083 -9.449 -14.704 1.00 4.03 C ATOM 609 OE1 GLU A 40 3.299 -8.575 -15.567 1.00 55.03 O ATOM 610 OE2 GLU A 40 3.315 -10.661 -14.904 1.00 62.55 O ATOM 0 H GLU A 40 2.240 -10.125 -10.986 1.00 45.13 H new ATOM 0 HA GLU A 40 4.004 -8.024 -10.343 1.00 43.30 H new ATOM 0 HB2 GLU A 40 4.217 -7.810 -12.802 1.00 33.40 H new ATOM 0 HB3 GLU A 40 4.332 -9.476 -12.270 1.00 33.40 H new ATOM 0 HG2 GLU A 40 1.952 -9.837 -12.927 1.00 72.22 H new ATOM 0 HG3 GLU A 40 1.863 -8.178 -13.485 1.00 72.22 H new ATOM 617 N ALA A 41 1.037 -7.063 -11.415 1.00 35.04 N ATOM 618 CA ALA A 41 0.137 -5.909 -11.520 1.00 51.33 C ATOM 619 C ALA A 41 0.083 -5.126 -10.199 1.00 74.23 C ATOM 620 O ALA A 41 0.161 -3.895 -10.189 1.00 55.32 O ATOM 621 CB ALA A 41 -1.261 -6.368 -11.926 1.00 14.22 C ATOM 0 H ALA A 41 0.595 -7.959 -11.622 1.00 35.04 H new ATOM 0 HA ALA A 41 0.527 -5.242 -12.289 1.00 51.33 H new ATOM 0 HB1 ALA A 41 -1.920 -5.503 -12.001 1.00 14.22 H new ATOM 0 HB2 ALA A 41 -1.212 -6.872 -12.891 1.00 14.22 H new ATOM 0 HB3 ALA A 41 -1.650 -7.057 -11.176 1.00 14.22 H new ATOM 627 N LEU A 42 -0.031 -5.856 -9.087 1.00 74.21 N ATOM 628 CA LEU A 42 -0.043 -5.249 -7.750 1.00 14.31 C ATOM 629 C LEU A 42 1.276 -4.503 -7.479 1.00 53.42 C ATOM 630 O LEU A 42 1.275 -3.362 -7.011 1.00 43.33 O ATOM 631 CB LEU A 42 -0.292 -6.344 -6.688 1.00 14.51 C ATOM 632 CG LEU A 42 -0.540 -5.865 -5.236 1.00 25.04 C ATOM 633 CD1 LEU A 42 -1.276 -6.938 -4.435 1.00 52.55 C ATOM 634 CD2 LEU A 42 0.771 -5.503 -4.532 1.00 53.20 C ATOM 0 H LEU A 42 -0.117 -6.872 -9.084 1.00 74.21 H new ATOM 0 HA LEU A 42 -0.850 -4.518 -7.696 1.00 14.31 H new ATOM 0 HB2 LEU A 42 -1.153 -6.933 -7.003 1.00 14.51 H new ATOM 0 HB3 LEU A 42 0.568 -7.014 -6.683 1.00 14.51 H new ATOM 0 HG LEU A 42 -1.158 -4.969 -5.290 1.00 25.04 H new ATOM 0 HD11 LEU A 42 -1.441 -6.583 -3.418 1.00 52.55 H new ATOM 0 HD12 LEU A 42 -2.236 -7.149 -4.906 1.00 52.55 H new ATOM 0 HD13 LEU A 42 -0.677 -7.848 -4.409 1.00 52.55 H new ATOM 0 HD21 LEU A 42 0.559 -5.171 -3.516 1.00 53.20 H new ATOM 0 HD22 LEU A 42 1.420 -6.378 -4.500 1.00 53.20 H new ATOM 0 HD23 LEU A 42 1.268 -4.702 -5.079 1.00 53.20 H new ATOM 646 N LEU A 43 2.399 -5.154 -7.791 1.00 61.50 N ATOM 647 CA LEU A 43 3.729 -4.555 -7.608 1.00 52.03 C ATOM 648 C LEU A 43 3.875 -3.248 -8.407 1.00 15.33 C ATOM 649 O LEU A 43 4.388 -2.250 -7.901 1.00 35.33 O ATOM 650 CB LEU A 43 4.823 -5.551 -8.028 1.00 63.20 C ATOM 651 CG LEU A 43 4.843 -6.879 -7.247 1.00 74.52 C ATOM 652 CD1 LEU A 43 5.909 -7.820 -7.805 1.00 41.13 C ATOM 653 CD2 LEU A 43 5.071 -6.628 -5.756 1.00 72.21 C ATOM 0 H LEU A 43 2.417 -6.100 -8.173 1.00 61.50 H new ATOM 0 HA LEU A 43 3.843 -4.318 -6.550 1.00 52.03 H new ATOM 0 HB2 LEU A 43 4.700 -5.774 -9.088 1.00 63.20 H new ATOM 0 HB3 LEU A 43 5.793 -5.068 -7.915 1.00 63.20 H new ATOM 0 HG LEU A 43 3.871 -7.357 -7.367 1.00 74.52 H new ATOM 0 HD11 LEU A 43 5.905 -8.751 -7.238 1.00 41.13 H new ATOM 0 HD12 LEU A 43 5.695 -8.032 -8.853 1.00 41.13 H new ATOM 0 HD13 LEU A 43 6.889 -7.349 -7.723 1.00 41.13 H new ATOM 0 HD21 LEU A 43 5.081 -7.579 -5.224 1.00 72.21 H new ATOM 0 HD22 LEU A 43 6.026 -6.123 -5.614 1.00 72.21 H new ATOM 0 HD23 LEU A 43 4.268 -6.003 -5.365 1.00 72.21 H new ATOM 665 N GLU A 44 3.413 -3.263 -9.657 1.00 73.50 N ATOM 666 CA GLU A 44 3.441 -2.071 -10.514 1.00 23.25 C ATOM 667 C GLU A 44 2.576 -0.937 -9.930 1.00 45.31 C ATOM 668 O GLU A 44 2.983 0.227 -9.915 1.00 64.25 O ATOM 669 CB GLU A 44 2.953 -2.428 -11.923 1.00 3.11 C ATOM 670 CG GLU A 44 3.838 -3.436 -12.653 1.00 21.24 C ATOM 671 CD GLU A 44 5.234 -2.902 -12.934 1.00 54.10 C ATOM 672 OE1 GLU A 44 5.363 -1.975 -13.763 1.00 23.02 O ATOM 673 OE2 GLU A 44 6.211 -3.410 -12.343 1.00 54.12 O ATOM 0 H GLU A 44 3.013 -4.089 -10.103 1.00 73.50 H new ATOM 0 HA GLU A 44 4.471 -1.717 -10.564 1.00 23.25 H new ATOM 0 HB2 GLU A 44 1.942 -2.831 -11.855 1.00 3.11 H new ATOM 0 HB3 GLU A 44 2.893 -1.516 -12.517 1.00 3.11 H new ATOM 0 HG2 GLU A 44 3.915 -4.344 -12.055 1.00 21.24 H new ATOM 0 HG3 GLU A 44 3.364 -3.713 -13.595 1.00 21.24 H new ATOM 680 N CYS A 45 1.382 -1.286 -9.450 1.00 72.22 N ATOM 681 CA CYS A 45 0.490 -0.311 -8.807 1.00 23.12 C ATOM 682 C CYS A 45 1.148 0.304 -7.560 1.00 52.13 C ATOM 683 O CYS A 45 1.017 1.500 -7.302 1.00 64.21 O ATOM 684 CB CYS A 45 -0.843 -0.967 -8.424 1.00 51.23 C ATOM 685 SG CYS A 45 -1.803 -1.565 -9.835 1.00 25.43 S ATOM 0 H CYS A 45 1.008 -2.234 -9.492 1.00 72.22 H new ATOM 0 HA CYS A 45 0.299 0.486 -9.525 1.00 23.12 H new ATOM 0 HB2 CYS A 45 -0.645 -1.802 -7.753 1.00 51.23 H new ATOM 0 HB3 CYS A 45 -1.444 -0.247 -7.868 1.00 51.23 H new ATOM 0 HG CYS A 45 -2.706 -2.404 -9.421 1.00 25.43 H new ATOM 691 N ALA A 46 1.856 -0.523 -6.792 1.00 72.42 N ATOM 692 CA ALA A 46 2.593 -0.051 -5.611 1.00 41.14 C ATOM 693 C ALA A 46 3.777 0.849 -6.011 1.00 44.33 C ATOM 694 O ALA A 46 4.083 1.832 -5.330 1.00 15.12 O ATOM 695 CB ALA A 46 3.076 -1.242 -4.788 1.00 15.05 C ATOM 0 H ALA A 46 1.937 -1.525 -6.963 1.00 72.42 H new ATOM 0 HA ALA A 46 1.916 0.549 -5.003 1.00 41.14 H new ATOM 0 HB1 ALA A 46 3.621 -0.884 -3.915 1.00 15.05 H new ATOM 0 HB2 ALA A 46 2.219 -1.832 -4.464 1.00 15.05 H new ATOM 0 HB3 ALA A 46 3.734 -1.862 -5.397 1.00 15.05 H new ATOM 701 N ASP A 47 4.427 0.508 -7.122 1.00 3.10 N ATOM 702 CA ASP A 47 5.527 1.310 -7.674 1.00 31.13 C ATOM 703 C ASP A 47 5.074 2.751 -7.986 1.00 74.33 C ATOM 704 O ASP A 47 5.855 3.703 -7.883 1.00 11.40 O ATOM 705 CB ASP A 47 6.074 0.621 -8.933 1.00 10.41 C ATOM 706 CG ASP A 47 7.117 1.448 -9.663 1.00 75.22 C ATOM 707 OD1 ASP A 47 8.223 1.642 -9.120 1.00 23.44 O ATOM 708 OD2 ASP A 47 6.834 1.913 -10.790 1.00 4.44 O ATOM 0 H ASP A 47 4.211 -0.327 -7.666 1.00 3.10 H new ATOM 0 HA ASP A 47 6.319 1.380 -6.928 1.00 31.13 H new ATOM 0 HB2 ASP A 47 6.511 -0.338 -8.654 1.00 10.41 H new ATOM 0 HB3 ASP A 47 5.248 0.409 -9.612 1.00 10.41 H new ATOM 713 N LEU A 48 3.807 2.907 -8.365 1.00 51.03 N ATOM 714 CA LEU A 48 3.220 4.236 -8.562 1.00 71.34 C ATOM 715 C LEU A 48 3.260 5.054 -7.261 1.00 5.32 C ATOM 716 O LEU A 48 3.542 6.253 -7.280 1.00 43.10 O ATOM 717 CB LEU A 48 1.773 4.114 -9.064 1.00 3.34 C ATOM 718 CG LEU A 48 1.621 3.598 -10.503 1.00 22.40 C ATOM 719 CD1 LEU A 48 0.147 3.400 -10.855 1.00 23.05 C ATOM 720 CD2 LEU A 48 2.289 4.561 -11.484 1.00 74.42 C ATOM 0 H LEU A 48 3.166 2.133 -8.542 1.00 51.03 H new ATOM 0 HA LEU A 48 3.812 4.758 -9.314 1.00 71.34 H new ATOM 0 HB2 LEU A 48 1.229 3.446 -8.396 1.00 3.34 H new ATOM 0 HB3 LEU A 48 1.297 5.092 -8.994 1.00 3.34 H new ATOM 0 HG LEU A 48 2.117 2.630 -10.578 1.00 22.40 H new ATOM 0 HD11 LEU A 48 0.063 3.034 -11.878 1.00 23.05 H new ATOM 0 HD12 LEU A 48 -0.296 2.674 -10.173 1.00 23.05 H new ATOM 0 HD13 LEU A 48 -0.379 4.350 -10.765 1.00 23.05 H new ATOM 0 HD21 LEU A 48 2.174 4.183 -12.500 1.00 74.42 H new ATOM 0 HD22 LEU A 48 1.821 5.542 -11.406 1.00 74.42 H new ATOM 0 HD23 LEU A 48 3.349 4.645 -11.246 1.00 74.42 H new ATOM 732 N LEU A 49 2.990 4.392 -6.135 1.00 74.12 N ATOM 733 CA LEU A 49 3.023 5.045 -4.818 1.00 54.51 C ATOM 734 C LEU A 49 4.454 5.435 -4.426 1.00 24.31 C ATOM 735 O LEU A 49 4.719 6.587 -4.092 1.00 52.52 O ATOM 736 CB LEU A 49 2.420 4.130 -3.737 1.00 34.43 C ATOM 737 CG LEU A 49 0.883 4.047 -3.711 1.00 65.14 C ATOM 738 CD1 LEU A 49 0.331 3.572 -5.051 1.00 72.13 C ATOM 739 CD2 LEU A 49 0.415 3.134 -2.577 1.00 34.13 C ATOM 0 H LEU A 49 2.745 3.402 -6.105 1.00 74.12 H new ATOM 0 HA LEU A 49 2.423 5.952 -4.890 1.00 54.51 H new ATOM 0 HB2 LEU A 49 2.817 3.124 -3.876 1.00 34.43 H new ATOM 0 HB3 LEU A 49 2.763 4.476 -2.762 1.00 34.43 H new ATOM 0 HG LEU A 49 0.495 5.050 -3.530 1.00 65.14 H new ATOM 0 HD11 LEU A 49 -0.757 3.524 -5.000 1.00 72.13 H new ATOM 0 HD12 LEU A 49 0.627 4.270 -5.834 1.00 72.13 H new ATOM 0 HD13 LEU A 49 0.728 2.582 -5.278 1.00 72.13 H new ATOM 0 HD21 LEU A 49 -0.674 3.087 -2.574 1.00 34.13 H new ATOM 0 HD22 LEU A 49 0.821 2.133 -2.725 1.00 34.13 H new ATOM 0 HD23 LEU A 49 0.764 3.530 -1.623 1.00 34.13 H new ATOM 751 N SER A 50 5.376 4.472 -4.482 1.00 74.22 N ATOM 752 CA SER A 50 6.782 4.721 -4.115 1.00 3.12 C ATOM 753 C SER A 50 7.352 5.908 -4.903 1.00 3.02 C ATOM 754 O SER A 50 8.091 6.736 -4.366 1.00 5.53 O ATOM 755 CB SER A 50 7.636 3.475 -4.374 1.00 60.52 C ATOM 756 OG SER A 50 7.618 3.122 -5.745 1.00 32.13 O ATOM 0 H SER A 50 5.181 3.515 -4.776 1.00 74.22 H new ATOM 0 HA SER A 50 6.811 4.959 -3.052 1.00 3.12 H new ATOM 0 HB2 SER A 50 8.662 3.661 -4.056 1.00 60.52 H new ATOM 0 HB3 SER A 50 7.263 2.644 -3.776 1.00 60.52 H new ATOM 0 HG SER A 50 6.778 3.423 -6.149 1.00 32.13 H new ATOM 762 N SER A 51 6.998 5.986 -6.183 1.00 1.33 N ATOM 763 CA SER A 51 7.377 7.129 -7.023 1.00 32.32 C ATOM 764 C SER A 51 6.631 8.407 -6.602 1.00 70.34 C ATOM 765 O SER A 51 7.246 9.453 -6.394 1.00 32.03 O ATOM 766 CB SER A 51 7.087 6.838 -8.502 1.00 24.43 C ATOM 767 OG SER A 51 7.476 7.926 -9.326 1.00 33.03 O ATOM 0 H SER A 51 6.450 5.274 -6.665 1.00 1.33 H new ATOM 0 HA SER A 51 8.447 7.287 -6.888 1.00 32.32 H new ATOM 0 HB2 SER A 51 7.619 5.938 -8.809 1.00 24.43 H new ATOM 0 HB3 SER A 51 6.023 6.640 -8.635 1.00 24.43 H new ATOM 0 HG SER A 51 6.778 8.614 -9.311 1.00 33.03 H new ATOM 773 N ALA A 52 5.311 8.301 -6.442 1.00 24.01 N ATOM 774 CA ALA A 52 4.461 9.459 -6.120 1.00 60.10 C ATOM 775 C ALA A 52 4.780 10.061 -4.738 1.00 31.14 C ATOM 776 O ALA A 52 4.495 11.226 -4.480 1.00 61.04 O ATOM 777 CB ALA A 52 2.989 9.062 -6.202 1.00 33.41 C ATOM 0 H ALA A 52 4.801 7.422 -6.530 1.00 24.01 H new ATOM 0 HA ALA A 52 4.673 10.233 -6.857 1.00 60.10 H new ATOM 0 HB1 ALA A 52 2.366 9.924 -5.963 1.00 33.41 H new ATOM 0 HB2 ALA A 52 2.761 8.718 -7.211 1.00 33.41 H new ATOM 0 HB3 ALA A 52 2.788 8.260 -5.491 1.00 33.41 H new ATOM 783 N LEU A 53 5.366 9.257 -3.856 1.00 61.21 N ATOM 784 CA LEU A 53 5.739 9.715 -2.510 1.00 73.24 C ATOM 785 C LEU A 53 7.138 10.355 -2.491 1.00 52.54 C ATOM 786 O LEU A 53 7.577 10.886 -1.467 1.00 44.34 O ATOM 787 CB LEU A 53 5.675 8.535 -1.533 1.00 14.44 C ATOM 788 CG LEU A 53 4.273 7.925 -1.355 1.00 64.22 C ATOM 789 CD1 LEU A 53 4.344 6.618 -0.574 1.00 54.13 C ATOM 790 CD2 LEU A 53 3.331 8.915 -0.668 1.00 61.42 C ATOM 0 H LEU A 53 5.596 8.281 -4.044 1.00 61.21 H new ATOM 0 HA LEU A 53 5.030 10.484 -2.202 1.00 73.24 H new ATOM 0 HB2 LEU A 53 6.354 7.756 -1.880 1.00 14.44 H new ATOM 0 HB3 LEU A 53 6.039 8.866 -0.560 1.00 14.44 H new ATOM 0 HG LEU A 53 3.873 7.707 -2.345 1.00 64.22 H new ATOM 0 HD11 LEU A 53 3.341 6.207 -0.461 1.00 54.13 H new ATOM 0 HD12 LEU A 53 4.970 5.906 -1.112 1.00 54.13 H new ATOM 0 HD13 LEU A 53 4.772 6.805 0.411 1.00 54.13 H new ATOM 0 HD21 LEU A 53 2.347 8.461 -0.553 1.00 61.42 H new ATOM 0 HD22 LEU A 53 3.728 9.173 0.314 1.00 61.42 H new ATOM 0 HD23 LEU A 53 3.246 9.817 -1.274 1.00 61.42 H new ATOM 802 N THR A 54 7.836 10.290 -3.623 1.00 12.51 N ATOM 803 CA THR A 54 9.158 10.920 -3.764 1.00 64.00 C ATOM 804 C THR A 54 9.112 12.093 -4.757 1.00 61.41 C ATOM 805 O THR A 54 9.947 12.998 -4.702 1.00 41.11 O ATOM 806 CB THR A 54 10.235 9.902 -4.220 1.00 0.01 C ATOM 807 OG1 THR A 54 9.868 9.316 -5.480 1.00 23.00 O ATOM 808 CG2 THR A 54 10.426 8.799 -3.181 1.00 64.43 C ATOM 0 H THR A 54 7.512 9.807 -4.461 1.00 12.51 H new ATOM 0 HA THR A 54 9.431 11.296 -2.778 1.00 64.00 H new ATOM 0 HB THR A 54 11.175 10.442 -4.331 1.00 0.01 H new ATOM 0 HG1 THR A 54 8.941 9.552 -5.693 1.00 23.00 H new ATOM 0 HG21 THR A 54 11.187 8.100 -3.528 1.00 64.43 H new ATOM 0 HG22 THR A 54 10.743 9.240 -2.236 1.00 64.43 H new ATOM 0 HG23 THR A 54 9.485 8.268 -3.037 1.00 64.43 H new ATOM 816 N GLU A 55 8.143 12.062 -5.672 1.00 60.21 N ATOM 817 CA GLU A 55 7.893 13.187 -6.585 1.00 43.14 C ATOM 818 C GLU A 55 6.762 14.076 -6.032 1.00 21.50 C ATOM 819 O GLU A 55 5.786 13.566 -5.487 1.00 73.14 O ATOM 820 CB GLU A 55 7.514 12.670 -7.988 1.00 42.35 C ATOM 821 CG GLU A 55 6.171 11.944 -8.041 1.00 62.24 C ATOM 822 CD GLU A 55 5.803 11.454 -9.436 1.00 2.11 C ATOM 823 OE1 GLU A 55 5.426 12.289 -10.285 1.00 24.43 O ATOM 824 OE2 GLU A 55 5.867 10.230 -9.686 1.00 72.04 O ATOM 0 H GLU A 55 7.515 11.269 -5.804 1.00 60.21 H new ATOM 0 HA GLU A 55 8.806 13.777 -6.664 1.00 43.14 H new ATOM 0 HB2 GLU A 55 7.488 13.512 -8.679 1.00 42.35 H new ATOM 0 HB3 GLU A 55 8.295 11.995 -8.338 1.00 42.35 H new ATOM 0 HG2 GLU A 55 6.199 11.093 -7.361 1.00 62.24 H new ATOM 0 HG3 GLU A 55 5.390 12.614 -7.681 1.00 62.24 H new ATOM 831 N PRO A 56 6.871 15.414 -6.138 1.00 70.30 N ATOM 832 CA PRO A 56 5.817 16.315 -5.638 1.00 42.22 C ATOM 833 C PRO A 56 4.516 16.212 -6.451 1.00 31.50 C ATOM 834 O PRO A 56 4.499 16.475 -7.655 1.00 75.31 O ATOM 835 CB PRO A 56 6.441 17.719 -5.792 1.00 63.11 C ATOM 836 CG PRO A 56 7.901 17.478 -6.014 1.00 4.44 C ATOM 837 CD PRO A 56 8.001 16.153 -6.713 1.00 54.20 C ATOM 0 HA PRO A 56 5.529 16.071 -4.616 1.00 42.22 H new ATOM 0 HB2 PRO A 56 5.999 18.256 -6.631 1.00 63.11 H new ATOM 0 HB3 PRO A 56 6.273 18.324 -4.901 1.00 63.11 H new ATOM 0 HG2 PRO A 56 8.340 18.272 -6.618 1.00 4.44 H new ATOM 0 HG3 PRO A 56 8.442 17.462 -5.068 1.00 4.44 H new ATOM 0 HD2 PRO A 56 7.913 16.255 -7.795 1.00 54.20 H new ATOM 0 HD3 PRO A 56 8.953 15.660 -6.516 1.00 54.20 H new ATOM 845 N VAL A 57 3.424 15.846 -5.778 1.00 52.20 N ATOM 846 CA VAL A 57 2.100 15.732 -6.408 1.00 62.43 C ATOM 847 C VAL A 57 0.985 16.189 -5.443 1.00 63.23 C ATOM 848 O VAL A 57 1.199 16.255 -4.230 1.00 32.52 O ATOM 849 CB VAL A 57 1.819 14.275 -6.881 1.00 33.21 C ATOM 850 CG1 VAL A 57 2.722 13.889 -8.051 1.00 23.01 C ATOM 851 CG2 VAL A 57 1.991 13.292 -5.728 1.00 5.51 C ATOM 0 H VAL A 57 3.428 15.620 -4.783 1.00 52.20 H new ATOM 0 HA VAL A 57 2.103 16.386 -7.280 1.00 62.43 H new ATOM 0 HB VAL A 57 0.785 14.230 -7.224 1.00 33.21 H new ATOM 0 HG11 VAL A 57 2.502 12.867 -8.358 1.00 23.01 H new ATOM 0 HG12 VAL A 57 2.544 14.566 -8.887 1.00 23.01 H new ATOM 0 HG13 VAL A 57 3.765 13.959 -7.744 1.00 23.01 H new ATOM 0 HG21 VAL A 57 1.790 12.280 -6.080 1.00 5.51 H new ATOM 0 HG22 VAL A 57 3.012 13.349 -5.350 1.00 5.51 H new ATOM 0 HG23 VAL A 57 1.294 13.543 -4.929 1.00 5.51 H new ATOM 861 N PRO A 58 -0.220 16.516 -5.959 1.00 13.42 N ATOM 862 CA PRO A 58 -1.359 16.919 -5.107 1.00 4.33 C ATOM 863 C PRO A 58 -1.918 15.765 -4.245 1.00 11.22 C ATOM 864 O PRO A 58 -1.860 14.592 -4.631 1.00 73.11 O ATOM 865 CB PRO A 58 -2.408 17.390 -6.124 1.00 30.25 C ATOM 866 CG PRO A 58 -2.069 16.664 -7.381 1.00 30.43 C ATOM 867 CD PRO A 58 -0.569 16.543 -7.395 1.00 42.25 C ATOM 0 HA PRO A 58 -1.066 17.678 -4.382 1.00 4.33 H new ATOM 0 HB2 PRO A 58 -3.418 17.153 -5.790 1.00 30.25 H new ATOM 0 HB3 PRO A 58 -2.365 18.470 -6.266 1.00 30.25 H new ATOM 0 HG2 PRO A 58 -2.540 15.681 -7.404 1.00 30.43 H new ATOM 0 HG3 PRO A 58 -2.425 17.209 -8.255 1.00 30.43 H new ATOM 0 HD2 PRO A 58 -0.243 15.637 -7.906 1.00 42.25 H new ATOM 0 HD3 PRO A 58 -0.102 17.384 -7.907 1.00 42.25 H new ATOM 875 N ASN A 59 -2.484 16.118 -3.087 1.00 11.21 N ATOM 876 CA ASN A 59 -3.045 15.140 -2.140 1.00 0.02 C ATOM 877 C ASN A 59 -4.072 14.209 -2.812 1.00 34.22 C ATOM 878 O ASN A 59 -4.070 12.999 -2.578 1.00 12.24 O ATOM 879 CB ASN A 59 -3.697 15.879 -0.964 1.00 24.45 C ATOM 880 CG ASN A 59 -4.221 14.939 0.108 1.00 30.35 C ATOM 881 OD1 ASN A 59 -5.362 14.495 0.062 1.00 1.22 O ATOM 882 ND2 ASN A 59 -3.395 14.634 1.087 1.00 34.54 N ATOM 0 H ASN A 59 -2.568 17.086 -2.777 1.00 11.21 H new ATOM 0 HA ASN A 59 -2.227 14.516 -1.780 1.00 0.02 H new ATOM 0 HB2 ASN A 59 -2.969 16.558 -0.520 1.00 24.45 H new ATOM 0 HB3 ASN A 59 -4.518 16.491 -1.337 1.00 24.45 H new ATOM 0 HD21 ASN A 59 -3.699 14.012 1.836 1.00 34.54 H new ATOM 0 HD22 ASN A 59 -2.451 15.020 1.097 1.00 34.54 H new ATOM 889 N SER A 60 -4.940 14.781 -3.646 1.00 52.43 N ATOM 890 CA SER A 60 -5.946 14.000 -4.386 1.00 64.21 C ATOM 891 C SER A 60 -5.297 12.857 -5.178 1.00 10.53 C ATOM 892 O SER A 60 -5.763 11.717 -5.143 1.00 42.21 O ATOM 893 CB SER A 60 -6.733 14.905 -5.345 1.00 51.22 C ATOM 894 OG SER A 60 -7.658 14.156 -6.122 1.00 21.22 O ATOM 0 H SER A 60 -4.971 15.784 -3.830 1.00 52.43 H new ATOM 0 HA SER A 60 -6.628 13.569 -3.653 1.00 64.21 H new ATOM 0 HB2 SER A 60 -7.266 15.666 -4.775 1.00 51.22 H new ATOM 0 HB3 SER A 60 -6.041 15.428 -6.005 1.00 51.22 H new ATOM 0 HG SER A 60 -8.145 14.759 -6.722 1.00 21.22 H new ATOM 900 N GLN A 61 -4.203 13.168 -5.871 1.00 61.22 N ATOM 901 CA GLN A 61 -3.487 12.177 -6.676 1.00 25.52 C ATOM 902 C GLN A 61 -2.860 11.088 -5.784 1.00 74.53 C ATOM 903 O GLN A 61 -2.946 9.899 -6.089 1.00 73.53 O ATOM 904 CB GLN A 61 -2.408 12.871 -7.517 1.00 15.50 C ATOM 905 CG GLN A 61 -1.721 11.954 -8.521 1.00 20.12 C ATOM 906 CD GLN A 61 -0.716 12.684 -9.394 1.00 32.34 C ATOM 907 OE1 GLN A 61 -0.864 13.869 -9.675 1.00 43.24 O ATOM 908 NE2 GLN A 61 0.304 11.983 -9.835 1.00 33.32 N ATOM 0 H GLN A 61 -3.791 14.101 -5.892 1.00 61.22 H new ATOM 0 HA GLN A 61 -4.200 11.692 -7.342 1.00 25.52 H new ATOM 0 HB2 GLN A 61 -2.860 13.706 -8.053 1.00 15.50 H new ATOM 0 HB3 GLN A 61 -1.655 13.291 -6.849 1.00 15.50 H new ATOM 0 HG2 GLN A 61 -1.214 11.151 -7.985 1.00 20.12 H new ATOM 0 HG3 GLN A 61 -2.475 11.488 -9.155 1.00 20.12 H new ATOM 0 HE21 GLN A 61 0.395 10.999 -9.581 1.00 33.32 H new ATOM 0 HE22 GLN A 61 1.005 12.422 -10.431 1.00 33.32 H new ATOM 917 N LEU A 62 -2.241 11.508 -4.679 1.00 52.43 N ATOM 918 CA LEU A 62 -1.650 10.575 -3.706 1.00 14.33 C ATOM 919 C LEU A 62 -2.678 9.553 -3.196 1.00 52.43 C ATOM 920 O LEU A 62 -2.497 8.341 -3.342 1.00 0.32 O ATOM 921 CB LEU A 62 -1.076 11.357 -2.513 1.00 31.34 C ATOM 922 CG LEU A 62 0.196 12.166 -2.803 1.00 52.11 C ATOM 923 CD1 LEU A 62 0.503 13.122 -1.651 1.00 14.33 C ATOM 924 CD2 LEU A 62 1.375 11.227 -3.055 1.00 64.33 C ATOM 0 H LEU A 62 -2.134 12.492 -4.431 1.00 52.43 H new ATOM 0 HA LEU A 62 -0.855 10.031 -4.215 1.00 14.33 H new ATOM 0 HB2 LEU A 62 -1.843 12.039 -2.145 1.00 31.34 H new ATOM 0 HB3 LEU A 62 -0.862 10.653 -1.709 1.00 31.34 H new ATOM 0 HG LEU A 62 0.030 12.761 -3.701 1.00 52.11 H new ATOM 0 HD11 LEU A 62 1.408 13.685 -1.877 1.00 14.33 H new ATOM 0 HD12 LEU A 62 -0.330 13.812 -1.519 1.00 14.33 H new ATOM 0 HD13 LEU A 62 0.650 12.551 -0.734 1.00 14.33 H new ATOM 0 HD21 LEU A 62 2.270 11.814 -3.259 1.00 64.33 H new ATOM 0 HD22 LEU A 62 1.541 10.607 -2.174 1.00 64.33 H new ATOM 0 HD23 LEU A 62 1.156 10.590 -3.912 1.00 64.33 H new ATOM 936 N VAL A 63 -3.763 10.057 -2.617 1.00 14.12 N ATOM 937 CA VAL A 63 -4.788 9.203 -2.010 1.00 3.11 C ATOM 938 C VAL A 63 -5.487 8.309 -3.050 1.00 75.22 C ATOM 939 O VAL A 63 -5.610 7.102 -2.852 1.00 53.42 O ATOM 940 CB VAL A 63 -5.849 10.046 -1.264 1.00 10.15 C ATOM 941 CG1 VAL A 63 -6.899 9.150 -0.608 1.00 31.24 C ATOM 942 CG2 VAL A 63 -5.183 10.945 -0.224 1.00 60.43 C ATOM 0 H VAL A 63 -3.959 11.056 -2.553 1.00 14.12 H new ATOM 0 HA VAL A 63 -4.271 8.561 -1.297 1.00 3.11 H new ATOM 0 HB VAL A 63 -6.355 10.677 -1.994 1.00 10.15 H new ATOM 0 HG11 VAL A 63 -7.633 9.768 -0.090 1.00 31.24 H new ATOM 0 HG12 VAL A 63 -7.400 8.556 -1.373 1.00 31.24 H new ATOM 0 HG13 VAL A 63 -6.415 8.486 0.108 1.00 31.24 H new ATOM 0 HG21 VAL A 63 -5.944 11.531 0.291 1.00 60.43 H new ATOM 0 HG22 VAL A 63 -4.647 10.330 0.499 1.00 60.43 H new ATOM 0 HG23 VAL A 63 -4.482 11.617 -0.719 1.00 60.43 H new ATOM 952 N ASP A 64 -5.928 8.904 -4.160 1.00 13.14 N ATOM 953 CA ASP A 64 -6.651 8.163 -5.204 1.00 23.33 C ATOM 954 C ASP A 64 -5.772 7.070 -5.845 1.00 70.40 C ATOM 955 O ASP A 64 -6.249 5.970 -6.136 1.00 65.15 O ATOM 956 CB ASP A 64 -7.174 9.132 -6.275 1.00 55.53 C ATOM 957 CG ASP A 64 -8.093 8.453 -7.276 1.00 30.50 C ATOM 958 OD1 ASP A 64 -9.169 7.960 -6.866 1.00 23.21 O ATOM 959 OD2 ASP A 64 -7.756 8.418 -8.479 1.00 23.13 O ATOM 0 H ASP A 64 -5.799 9.895 -4.362 1.00 13.14 H new ATOM 0 HA ASP A 64 -7.497 7.663 -4.732 1.00 23.33 H new ATOM 0 HB2 ASP A 64 -7.710 9.949 -5.791 1.00 55.53 H new ATOM 0 HB3 ASP A 64 -6.330 9.574 -6.804 1.00 55.53 H new ATOM 964 N THR A 65 -4.485 7.365 -6.045 1.00 11.25 N ATOM 965 CA THR A 65 -3.549 6.384 -6.622 1.00 64.12 C ATOM 966 C THR A 65 -3.271 5.225 -5.650 1.00 43.13 C ATOM 967 O THR A 65 -3.199 4.066 -6.057 1.00 21.23 O ATOM 968 CB THR A 65 -2.204 7.037 -7.039 1.00 14.15 C ATOM 969 OG1 THR A 65 -2.430 8.043 -8.043 1.00 34.04 O ATOM 970 CG2 THR A 65 -1.222 6.002 -7.585 1.00 73.04 C ATOM 0 H THR A 65 -4.065 8.267 -5.819 1.00 11.25 H new ATOM 0 HA THR A 65 -4.036 5.991 -7.514 1.00 64.12 H new ATOM 0 HB THR A 65 -1.772 7.490 -6.147 1.00 14.15 H new ATOM 0 HG1 THR A 65 -2.656 8.893 -7.610 1.00 34.04 H new ATOM 0 HG21 THR A 65 -0.292 6.496 -7.867 1.00 73.04 H new ATOM 0 HG22 THR A 65 -1.018 5.254 -6.819 1.00 73.04 H new ATOM 0 HG23 THR A 65 -1.654 5.516 -8.460 1.00 73.04 H new ATOM 978 N GLY A 66 -3.107 5.542 -4.369 1.00 53.51 N ATOM 979 CA GLY A 66 -2.913 4.504 -3.357 1.00 43.24 C ATOM 980 C GLY A 66 -4.199 3.753 -3.020 1.00 1.11 C ATOM 981 O GLY A 66 -4.170 2.584 -2.633 1.00 54.45 O ATOM 0 H GLY A 66 -3.104 6.496 -4.008 1.00 53.51 H new ATOM 0 HA2 GLY A 66 -2.166 3.794 -3.711 1.00 43.24 H new ATOM 0 HA3 GLY A 66 -2.516 4.959 -2.450 1.00 43.24 H new ATOM 985 N HIS A 67 -5.329 4.433 -3.188 1.00 53.33 N ATOM 986 CA HIS A 67 -6.655 3.888 -2.866 1.00 62.55 C ATOM 987 C HIS A 67 -6.924 2.541 -3.566 1.00 41.40 C ATOM 988 O HIS A 67 -7.598 1.669 -3.014 1.00 62.32 O ATOM 989 CB HIS A 67 -7.720 4.920 -3.262 1.00 22.20 C ATOM 990 CG HIS A 67 -9.130 4.520 -2.955 1.00 23.35 C ATOM 991 ND1 HIS A 67 -10.069 4.296 -3.935 1.00 53.41 N ATOM 992 CD2 HIS A 67 -9.770 4.334 -1.777 1.00 60.00 C ATOM 993 CE1 HIS A 67 -11.221 3.992 -3.378 1.00 11.14 C ATOM 994 NE2 HIS A 67 -11.071 4.006 -2.069 1.00 33.44 N ATOM 0 H HIS A 67 -5.357 5.385 -3.554 1.00 53.33 H new ATOM 0 HA HIS A 67 -6.694 3.693 -1.794 1.00 62.55 H new ATOM 0 HB2 HIS A 67 -7.504 5.858 -2.750 1.00 22.20 H new ATOM 0 HB3 HIS A 67 -7.637 5.114 -4.331 1.00 22.20 H new ATOM 0 HD2 HIS A 67 -9.338 4.426 -0.791 1.00 60.00 H new ATOM 0 HE1 HIS A 67 -12.137 3.768 -3.905 1.00 11.14 H new ATOM 0 HE2 HIS A 67 -11.801 3.806 -1.385 1.00 33.44 H new ATOM 1003 N GLN A 68 -6.392 2.374 -4.777 1.00 23.01 N ATOM 1004 CA GLN A 68 -6.602 1.139 -5.551 1.00 2.33 C ATOM 1005 C GLN A 68 -5.876 -0.064 -4.924 1.00 52.00 C ATOM 1006 O GLN A 68 -6.360 -1.196 -4.992 1.00 10.32 O ATOM 1007 CB GLN A 68 -6.144 1.333 -7.004 1.00 41.35 C ATOM 1008 CG GLN A 68 -4.666 1.670 -7.141 1.00 35.24 C ATOM 1009 CD GLN A 68 -4.254 1.973 -8.571 1.00 4.51 C ATOM 1010 OE1 GLN A 68 -4.814 1.440 -9.520 1.00 44.05 O ATOM 1011 NE2 GLN A 68 -3.282 2.846 -8.729 1.00 71.22 N ATOM 0 H GLN A 68 -5.814 3.072 -5.246 1.00 23.01 H new ATOM 0 HA GLN A 68 -7.671 0.925 -5.536 1.00 2.33 H new ATOM 0 HB2 GLN A 68 -6.353 0.423 -7.566 1.00 41.35 H new ATOM 0 HB3 GLN A 68 -6.733 2.130 -7.458 1.00 41.35 H new ATOM 0 HG2 GLN A 68 -4.436 2.531 -6.513 1.00 35.24 H new ATOM 0 HG3 GLN A 68 -4.073 0.835 -6.767 1.00 35.24 H new ATOM 0 HE21 GLN A 68 -2.839 3.269 -7.913 1.00 71.22 H new ATOM 0 HE22 GLN A 68 -2.971 3.099 -9.667 1.00 71.22 H new ATOM 1020 N LEU A 69 -4.724 0.185 -4.300 1.00 52.53 N ATOM 1021 CA LEU A 69 -3.936 -0.885 -3.671 1.00 12.03 C ATOM 1022 C LEU A 69 -4.755 -1.651 -2.621 1.00 41.54 C ATOM 1023 O LEU A 69 -4.527 -2.836 -2.393 1.00 1.22 O ATOM 1024 CB LEU A 69 -2.658 -0.318 -3.033 1.00 12.52 C ATOM 1025 CG LEU A 69 -1.455 -0.145 -3.982 1.00 30.10 C ATOM 1026 CD1 LEU A 69 -1.001 -1.493 -4.543 1.00 23.31 C ATOM 1027 CD2 LEU A 69 -1.793 0.823 -5.114 1.00 64.22 C ATOM 0 H LEU A 69 -4.313 1.115 -4.215 1.00 52.53 H new ATOM 0 HA LEU A 69 -3.657 -1.586 -4.458 1.00 12.03 H new ATOM 0 HB2 LEU A 69 -2.893 0.652 -2.594 1.00 12.52 H new ATOM 0 HB3 LEU A 69 -2.360 -0.974 -2.215 1.00 12.52 H new ATOM 0 HG LEU A 69 -0.631 0.276 -3.406 1.00 30.10 H new ATOM 0 HD11 LEU A 69 -0.151 -1.342 -5.209 1.00 23.31 H new ATOM 0 HD12 LEU A 69 -0.707 -2.148 -3.723 1.00 23.31 H new ATOM 0 HD13 LEU A 69 -1.820 -1.951 -5.098 1.00 23.31 H new ATOM 0 HD21 LEU A 69 -0.930 0.930 -5.771 1.00 64.22 H new ATOM 0 HD22 LEU A 69 -2.637 0.436 -5.684 1.00 64.22 H new ATOM 0 HD23 LEU A 69 -2.053 1.795 -4.696 1.00 64.22 H new ATOM 1039 N LEU A 70 -5.710 -0.972 -1.990 1.00 21.35 N ATOM 1040 CA LEU A 70 -6.586 -1.612 -1.004 1.00 31.04 C ATOM 1041 C LEU A 70 -7.448 -2.720 -1.632 1.00 0.12 C ATOM 1042 O LEU A 70 -7.597 -3.797 -1.056 1.00 12.45 O ATOM 1043 CB LEU A 70 -7.469 -0.559 -0.314 1.00 52.41 C ATOM 1044 CG LEU A 70 -6.822 0.150 0.888 1.00 34.11 C ATOM 1045 CD1 LEU A 70 -6.527 -0.851 2.000 1.00 3.34 C ATOM 1046 CD2 LEU A 70 -5.549 0.886 0.480 1.00 34.11 C ATOM 0 H LEU A 70 -5.899 0.019 -2.141 1.00 21.35 H new ATOM 0 HA LEU A 70 -5.951 -2.086 -0.256 1.00 31.04 H new ATOM 0 HB2 LEU A 70 -7.753 0.193 -1.050 1.00 52.41 H new ATOM 0 HB3 LEU A 70 -8.388 -1.041 0.020 1.00 52.41 H new ATOM 0 HG LEU A 70 -7.530 0.890 1.261 1.00 34.11 H new ATOM 0 HD11 LEU A 70 -6.069 -0.334 2.843 1.00 3.34 H new ATOM 0 HD12 LEU A 70 -7.456 -1.320 2.323 1.00 3.34 H new ATOM 0 HD13 LEU A 70 -5.844 -1.616 1.630 1.00 3.34 H new ATOM 0 HD21 LEU A 70 -5.117 1.376 1.352 1.00 34.11 H new ATOM 0 HD22 LEU A 70 -4.832 0.174 0.071 1.00 34.11 H new ATOM 0 HD23 LEU A 70 -5.788 1.634 -0.276 1.00 34.11 H new ATOM 1058 N ASP A 71 -8.004 -2.466 -2.815 1.00 63.22 N ATOM 1059 CA ASP A 71 -8.824 -3.470 -3.501 1.00 11.30 C ATOM 1060 C ASP A 71 -7.954 -4.648 -3.984 1.00 31.20 C ATOM 1061 O ASP A 71 -8.295 -5.816 -3.775 1.00 0.11 O ATOM 1062 CB ASP A 71 -9.576 -2.835 -4.678 1.00 1.13 C ATOM 1063 CG ASP A 71 -10.590 -3.788 -5.292 1.00 5.22 C ATOM 1064 OD1 ASP A 71 -11.632 -4.046 -4.654 1.00 4.12 O ATOM 1065 OD2 ASP A 71 -10.349 -4.288 -6.411 1.00 4.30 O ATOM 0 H ASP A 71 -7.905 -1.584 -3.317 1.00 63.22 H new ATOM 0 HA ASP A 71 -9.556 -3.857 -2.792 1.00 11.30 H new ATOM 0 HB2 ASP A 71 -10.086 -1.934 -4.338 1.00 1.13 H new ATOM 0 HB3 ASP A 71 -8.861 -2.527 -5.441 1.00 1.13 H new ATOM 1070 N TYR A 72 -6.819 -4.327 -4.615 1.00 44.23 N ATOM 1071 CA TYR A 72 -5.841 -5.347 -5.029 1.00 31.20 C ATOM 1072 C TYR A 72 -5.425 -6.234 -3.843 1.00 23.42 C ATOM 1073 O TYR A 72 -5.497 -7.460 -3.910 1.00 73.14 O ATOM 1074 CB TYR A 72 -4.588 -4.677 -5.624 1.00 3.14 C ATOM 1075 CG TYR A 72 -4.768 -4.108 -7.025 1.00 22.23 C ATOM 1076 CD1 TYR A 72 -5.698 -3.106 -7.286 1.00 34.25 C ATOM 1077 CD2 TYR A 72 -3.989 -4.566 -8.085 1.00 2.14 C ATOM 1078 CE1 TYR A 72 -5.846 -2.580 -8.556 1.00 44.14 C ATOM 1079 CE2 TYR A 72 -4.134 -4.047 -9.355 1.00 51.44 C ATOM 1080 CZ TYR A 72 -5.063 -3.054 -9.587 1.00 24.13 C ATOM 1081 OH TYR A 72 -5.204 -2.530 -10.853 1.00 4.33 O ATOM 0 H TYR A 72 -6.553 -3.371 -4.851 1.00 44.23 H new ATOM 0 HA TYR A 72 -6.317 -5.972 -5.784 1.00 31.20 H new ATOM 0 HB2 TYR A 72 -4.274 -3.873 -4.959 1.00 3.14 H new ATOM 0 HB3 TYR A 72 -3.779 -5.407 -5.646 1.00 3.14 H new ATOM 0 HD1 TYR A 72 -6.315 -2.733 -6.482 1.00 34.25 H new ATOM 0 HD2 TYR A 72 -3.258 -5.342 -7.909 1.00 2.14 H new ATOM 0 HE1 TYR A 72 -6.572 -1.801 -8.740 1.00 44.14 H new ATOM 0 HE2 TYR A 72 -3.522 -4.417 -10.165 1.00 51.44 H new ATOM 0 HH TYR A 72 -4.577 -2.973 -11.462 1.00 4.33 H new ATOM 1091 N CYS A 73 -5.005 -5.596 -2.753 1.00 74.04 N ATOM 1092 CA CYS A 73 -4.525 -6.309 -1.563 1.00 14.10 C ATOM 1093 C CYS A 73 -5.632 -7.132 -0.884 1.00 72.14 C ATOM 1094 O CYS A 73 -5.439 -8.307 -0.582 1.00 53.51 O ATOM 1095 CB CYS A 73 -3.930 -5.320 -0.559 1.00 1.30 C ATOM 1096 SG CYS A 73 -2.421 -4.499 -1.132 1.00 23.43 S ATOM 0 H CYS A 73 -4.986 -4.580 -2.666 1.00 74.04 H new ATOM 0 HA CYS A 73 -3.757 -7.006 -1.898 1.00 14.10 H new ATOM 0 HB2 CYS A 73 -4.677 -4.561 -0.327 1.00 1.30 H new ATOM 0 HB3 CYS A 73 -3.713 -5.848 0.369 1.00 1.30 H new ATOM 0 HG CYS A 73 -2.735 -3.525 -1.934 1.00 23.43 H new ATOM 1102 N SER A 74 -6.789 -6.509 -0.649 1.00 24.44 N ATOM 1103 CA SER A 74 -7.911 -7.184 0.032 1.00 60.35 C ATOM 1104 C SER A 74 -8.355 -8.457 -0.709 1.00 13.14 C ATOM 1105 O SER A 74 -8.886 -9.384 -0.095 1.00 32.04 O ATOM 1106 CB SER A 74 -9.111 -6.234 0.191 1.00 63.21 C ATOM 1107 OG SER A 74 -8.788 -5.123 1.018 1.00 10.54 O ATOM 0 H SER A 74 -6.979 -5.543 -0.916 1.00 24.44 H new ATOM 0 HA SER A 74 -7.549 -7.474 1.018 1.00 60.35 H new ATOM 0 HB2 SER A 74 -9.428 -5.879 -0.790 1.00 63.21 H new ATOM 0 HB3 SER A 74 -9.952 -6.777 0.621 1.00 63.21 H new ATOM 0 HG SER A 74 -8.331 -4.440 0.484 1.00 10.54 H new ATOM 1113 N GLY A 75 -8.158 -8.492 -2.026 1.00 22.45 N ATOM 1114 CA GLY A 75 -8.476 -9.692 -2.800 1.00 32.12 C ATOM 1115 C GLY A 75 -7.311 -10.680 -2.888 1.00 55.25 C ATOM 1116 O GLY A 75 -7.496 -11.889 -2.734 1.00 33.53 O ATOM 0 H GLY A 75 -7.785 -7.716 -2.573 1.00 22.45 H new ATOM 0 HA2 GLY A 75 -9.333 -10.191 -2.348 1.00 32.12 H new ATOM 0 HA3 GLY A 75 -8.772 -9.399 -3.807 1.00 32.12 H new ATOM 1120 N TYR A 76 -6.107 -10.157 -3.119 1.00 51.01 N ATOM 1121 CA TYR A 76 -4.912 -10.986 -3.337 1.00 33.43 C ATOM 1122 C TYR A 76 -4.411 -11.664 -2.044 1.00 62.02 C ATOM 1123 O TYR A 76 -3.892 -12.782 -2.086 1.00 52.52 O ATOM 1124 CB TYR A 76 -3.789 -10.122 -3.938 1.00 24.43 C ATOM 1125 CG TYR A 76 -2.554 -10.898 -4.364 1.00 20.44 C ATOM 1126 CD1 TYR A 76 -2.465 -11.460 -5.636 1.00 24.40 C ATOM 1127 CD2 TYR A 76 -1.474 -11.067 -3.499 1.00 20.02 C ATOM 1128 CE1 TYR A 76 -1.342 -12.162 -6.031 1.00 61.34 C ATOM 1129 CE2 TYR A 76 -0.348 -11.767 -3.889 1.00 23.14 C ATOM 1130 CZ TYR A 76 -0.287 -12.314 -5.156 1.00 5.30 C ATOM 1131 OH TYR A 76 0.836 -13.009 -5.550 1.00 2.13 O ATOM 0 H TYR A 76 -5.928 -9.154 -3.161 1.00 51.01 H new ATOM 0 HA TYR A 76 -5.192 -11.781 -4.028 1.00 33.43 H new ATOM 0 HB2 TYR A 76 -4.183 -9.588 -4.803 1.00 24.43 H new ATOM 0 HB3 TYR A 76 -3.495 -9.370 -3.205 1.00 24.43 H new ATOM 0 HD1 TYR A 76 -3.288 -11.345 -6.325 1.00 24.40 H new ATOM 0 HD2 TYR A 76 -1.518 -10.643 -2.507 1.00 20.02 H new ATOM 0 HE1 TYR A 76 -1.291 -12.590 -7.021 1.00 61.34 H new ATOM 0 HE2 TYR A 76 0.480 -11.886 -3.206 1.00 23.14 H new ATOM 0 HH TYR A 76 1.486 -13.023 -4.817 1.00 2.13 H new ATOM 1141 N VAL A 77 -4.573 -10.993 -0.901 1.00 24.24 N ATOM 1142 CA VAL A 77 -4.007 -11.472 0.376 1.00 10.03 C ATOM 1143 C VAL A 77 -4.423 -12.916 0.718 1.00 24.43 C ATOM 1144 O VAL A 77 -3.596 -13.722 1.148 1.00 24.53 O ATOM 1145 CB VAL A 77 -4.387 -10.537 1.556 1.00 72.32 C ATOM 1146 CG1 VAL A 77 -5.902 -10.476 1.752 1.00 3.42 C ATOM 1147 CG2 VAL A 77 -3.681 -10.971 2.845 1.00 62.04 C ATOM 0 H VAL A 77 -5.090 -10.117 -0.827 1.00 24.24 H new ATOM 0 HA VAL A 77 -2.926 -11.459 0.235 1.00 10.03 H new ATOM 0 HB VAL A 77 -4.047 -9.532 1.307 1.00 72.32 H new ATOM 0 HG11 VAL A 77 -6.135 -9.813 2.586 1.00 3.42 H new ATOM 0 HG12 VAL A 77 -6.371 -10.096 0.844 1.00 3.42 H new ATOM 0 HG13 VAL A 77 -6.282 -11.475 1.966 1.00 3.42 H new ATOM 0 HG21 VAL A 77 -3.963 -10.301 3.657 1.00 62.04 H new ATOM 0 HG22 VAL A 77 -3.976 -11.990 3.096 1.00 62.04 H new ATOM 0 HG23 VAL A 77 -2.601 -10.931 2.700 1.00 62.04 H new ATOM 1157 N ASP A 78 -5.697 -13.247 0.512 1.00 61.45 N ATOM 1158 CA ASP A 78 -6.215 -14.578 0.858 1.00 72.41 C ATOM 1159 C ASP A 78 -5.560 -15.679 -0.004 1.00 41.31 C ATOM 1160 O ASP A 78 -5.539 -16.852 0.376 1.00 42.14 O ATOM 1161 CB ASP A 78 -7.743 -14.599 0.697 1.00 33.42 C ATOM 1162 CG ASP A 78 -8.378 -15.850 1.287 1.00 52.51 C ATOM 1163 OD1 ASP A 78 -8.508 -15.927 2.530 1.00 1.41 O ATOM 1164 OD2 ASP A 78 -8.765 -16.752 0.517 1.00 52.22 O ATOM 0 H ASP A 78 -6.391 -12.617 0.109 1.00 61.45 H new ATOM 0 HA ASP A 78 -5.963 -14.785 1.898 1.00 72.41 H new ATOM 0 HB2 ASP A 78 -8.167 -13.719 1.180 1.00 33.42 H new ATOM 0 HB3 ASP A 78 -7.994 -14.534 -0.362 1.00 33.42 H new ATOM 1169 N CYS A 79 -5.009 -15.286 -1.151 1.00 42.52 N ATOM 1170 CA CYS A 79 -4.348 -16.231 -2.066 1.00 31.20 C ATOM 1171 C CYS A 79 -2.937 -16.614 -1.586 1.00 13.13 C ATOM 1172 O CYS A 79 -2.389 -17.637 -2.004 1.00 25.32 O ATOM 1173 CB CYS A 79 -4.261 -15.632 -3.478 1.00 21.24 C ATOM 1174 SG CYS A 79 -3.405 -16.680 -4.680 1.00 72.11 S ATOM 0 H CYS A 79 -5.004 -14.319 -1.474 1.00 42.52 H new ATOM 0 HA CYS A 79 -4.955 -17.136 -2.083 1.00 31.20 H new ATOM 0 HB2 CYS A 79 -5.270 -15.435 -3.839 1.00 21.24 H new ATOM 0 HB3 CYS A 79 -3.749 -14.671 -3.422 1.00 21.24 H new ATOM 0 HG CYS A 79 -2.548 -17.438 -4.062 1.00 72.11 H new ATOM 1180 N ILE A 80 -2.354 -15.797 -0.709 1.00 32.44 N ATOM 1181 CA ILE A 80 -0.993 -16.045 -0.203 1.00 32.14 C ATOM 1182 C ILE A 80 -0.933 -17.324 0.657 1.00 70.34 C ATOM 1183 O ILE A 80 -1.585 -17.406 1.702 1.00 33.25 O ATOM 1184 CB ILE A 80 -0.473 -14.848 0.632 1.00 5.13 C ATOM 1185 CG1 ILE A 80 -0.496 -13.555 -0.205 1.00 61.54 C ATOM 1186 CG2 ILE A 80 0.938 -15.129 1.157 1.00 12.55 C ATOM 1187 CD1 ILE A 80 -0.001 -12.329 0.540 1.00 3.31 C ATOM 0 H ILE A 80 -2.796 -14.959 -0.332 1.00 32.44 H new ATOM 0 HA ILE A 80 -0.355 -16.175 -1.077 1.00 32.14 H new ATOM 0 HB ILE A 80 -1.134 -14.713 1.488 1.00 5.13 H new ATOM 0 HG12 ILE A 80 0.117 -13.699 -1.095 1.00 61.54 H new ATOM 0 HG13 ILE A 80 -1.515 -13.373 -0.546 1.00 61.54 H new ATOM 0 HG21 ILE A 80 1.285 -14.277 1.741 1.00 12.55 H new ATOM 0 HG22 ILE A 80 0.921 -16.018 1.787 1.00 12.55 H new ATOM 0 HG23 ILE A 80 1.613 -15.293 0.317 1.00 12.55 H new ATOM 0 HD11 ILE A 80 -0.048 -11.460 -0.117 1.00 3.31 H new ATOM 0 HD12 ILE A 80 -0.628 -12.157 1.415 1.00 3.31 H new ATOM 0 HD13 ILE A 80 1.029 -12.488 0.858 1.00 3.31 H new ATOM 1199 N PRO A 81 -0.150 -18.340 0.229 1.00 1.45 N ATOM 1200 CA PRO A 81 -0.057 -19.630 0.941 1.00 23.04 C ATOM 1201 C PRO A 81 0.642 -19.524 2.308 1.00 53.35 C ATOM 1202 O PRO A 81 0.117 -19.995 3.318 1.00 24.31 O ATOM 1203 CB PRO A 81 0.755 -20.511 -0.022 1.00 24.12 C ATOM 1204 CG PRO A 81 1.552 -19.552 -0.839 1.00 20.32 C ATOM 1205 CD PRO A 81 0.694 -18.319 -0.985 1.00 55.00 C ATOM 0 HA PRO A 81 -1.044 -20.027 1.178 1.00 23.04 H new ATOM 0 HB2 PRO A 81 1.402 -21.199 0.522 1.00 24.12 H new ATOM 0 HB3 PRO A 81 0.101 -21.117 -0.650 1.00 24.12 H new ATOM 0 HG2 PRO A 81 2.497 -19.314 -0.351 1.00 20.32 H new ATOM 0 HG3 PRO A 81 1.795 -19.977 -1.813 1.00 20.32 H new ATOM 0 HD2 PRO A 81 1.298 -17.413 -1.038 1.00 55.00 H new ATOM 0 HD3 PRO A 81 0.092 -18.354 -1.893 1.00 55.00 H new ATOM 1213 N GLN A 82 1.823 -18.909 2.342 1.00 51.31 N ATOM 1214 CA GLN A 82 2.577 -18.769 3.591 1.00 11.11 C ATOM 1215 C GLN A 82 1.890 -17.778 4.544 1.00 23.54 C ATOM 1216 O GLN A 82 1.904 -16.567 4.317 1.00 31.45 O ATOM 1217 CB GLN A 82 4.016 -18.320 3.296 1.00 64.03 C ATOM 1218 CG GLN A 82 4.903 -18.219 4.535 1.00 43.21 C ATOM 1219 CD GLN A 82 5.038 -19.535 5.290 1.00 65.22 C ATOM 1220 OE1 GLN A 82 5.164 -19.549 6.508 1.00 75.12 O ATOM 1221 NE2 GLN A 82 5.032 -20.649 4.580 1.00 72.43 N ATOM 0 H GLN A 82 2.278 -18.501 1.525 1.00 51.31 H new ATOM 0 HA GLN A 82 2.605 -19.742 4.081 1.00 11.11 H new ATOM 0 HB2 GLN A 82 4.468 -19.022 2.595 1.00 64.03 H new ATOM 0 HB3 GLN A 82 3.988 -17.349 2.802 1.00 64.03 H new ATOM 0 HG2 GLN A 82 5.894 -17.876 4.237 1.00 43.21 H new ATOM 0 HG3 GLN A 82 4.493 -17.464 5.206 1.00 43.21 H new ATOM 0 HE21 GLN A 82 4.925 -20.607 3.566 1.00 72.43 H new ATOM 0 HE22 GLN A 82 5.134 -21.551 5.045 1.00 72.43 H new ATOM 1230 N THR A 83 1.294 -18.299 5.617 1.00 71.43 N ATOM 1231 CA THR A 83 0.520 -17.472 6.555 1.00 73.01 C ATOM 1232 C THR A 83 1.368 -16.355 7.184 1.00 53.41 C ATOM 1233 O THR A 83 0.856 -15.277 7.488 1.00 11.34 O ATOM 1234 CB THR A 83 -0.123 -18.328 7.672 1.00 41.25 C ATOM 1235 OG1 THR A 83 -0.856 -19.414 7.086 1.00 74.00 O ATOM 1236 CG2 THR A 83 -1.071 -17.496 8.532 1.00 35.00 C ATOM 0 H THR A 83 1.330 -19.289 5.862 1.00 71.43 H new ATOM 0 HA THR A 83 -0.271 -17.008 5.966 1.00 73.01 H new ATOM 0 HB THR A 83 0.677 -18.710 8.306 1.00 41.25 H new ATOM 0 HG1 THR A 83 -1.261 -19.956 7.795 1.00 74.00 H new ATOM 0 HG21 THR A 83 -1.507 -18.126 9.307 1.00 35.00 H new ATOM 0 HG22 THR A 83 -0.519 -16.679 8.996 1.00 35.00 H new ATOM 0 HG23 THR A 83 -1.866 -17.088 7.907 1.00 35.00 H new ATOM 1244 N ARG A 84 2.664 -16.611 7.380 1.00 63.10 N ATOM 1245 CA ARG A 84 3.593 -15.573 7.864 1.00 0.21 C ATOM 1246 C ARG A 84 3.548 -14.331 6.960 1.00 61.20 C ATOM 1247 O ARG A 84 3.308 -13.213 7.420 1.00 25.10 O ATOM 1248 CB ARG A 84 5.028 -16.122 7.924 1.00 33.14 C ATOM 1249 CG ARG A 84 5.244 -17.180 9.001 1.00 22.25 C ATOM 1250 CD ARG A 84 5.093 -16.598 10.404 1.00 62.22 C ATOM 1251 NE ARG A 84 5.203 -17.624 11.438 1.00 74.12 N ATOM 1252 CZ ARG A 84 4.998 -17.412 12.709 1.00 33.14 C ATOM 1253 NH1 ARG A 84 4.769 -16.216 13.149 1.00 21.31 N ATOM 1254 NH2 ARG A 84 5.053 -18.400 13.545 1.00 22.33 N ATOM 0 H ARG A 84 3.097 -17.520 7.214 1.00 63.10 H new ATOM 0 HA ARG A 84 3.280 -15.284 8.867 1.00 0.21 H new ATOM 0 HB2 ARG A 84 5.283 -16.549 6.954 1.00 33.14 H new ATOM 0 HB3 ARG A 84 5.715 -15.294 8.099 1.00 33.14 H new ATOM 0 HG2 ARG A 84 4.527 -17.990 8.864 1.00 22.25 H new ATOM 0 HG3 ARG A 84 6.239 -17.612 8.892 1.00 22.25 H new ATOM 0 HD2 ARG A 84 5.857 -15.838 10.565 1.00 62.22 H new ATOM 0 HD3 ARG A 84 4.127 -16.101 10.488 1.00 62.22 H new ATOM 0 HE ARG A 84 5.457 -18.568 11.147 1.00 74.12 H new ATOM 0 HH11 ARG A 84 4.748 -15.429 12.500 1.00 21.31 H new ATOM 0 HH12 ARG A 84 4.610 -16.061 14.144 1.00 21.31 H new ATOM 0 HH21 ARG A 84 5.256 -19.341 13.209 1.00 22.33 H new ATOM 0 HH22 ARG A 84 4.893 -18.236 14.539 1.00 22.33 H new ATOM 1268 N ASN A 85 3.773 -14.546 5.666 1.00 32.41 N ATOM 1269 CA ASN A 85 3.685 -13.473 4.671 1.00 22.53 C ATOM 1270 C ASN A 85 2.271 -12.878 4.614 1.00 65.45 C ATOM 1271 O ASN A 85 2.104 -11.662 4.579 1.00 30.01 O ATOM 1272 CB ASN A 85 4.073 -14.005 3.288 1.00 21.31 C ATOM 1273 CG ASN A 85 5.521 -14.455 3.221 1.00 64.42 C ATOM 1274 OD1 ASN A 85 6.111 -14.855 4.221 1.00 3.14 O ATOM 1275 ND2 ASN A 85 6.103 -14.389 2.043 1.00 22.33 N ATOM 0 H ASN A 85 4.019 -15.457 5.278 1.00 32.41 H new ATOM 0 HA ASN A 85 4.377 -12.685 4.969 1.00 22.53 H new ATOM 0 HB2 ASN A 85 3.424 -14.842 3.029 1.00 21.31 H new ATOM 0 HB3 ASN A 85 3.903 -13.228 2.543 1.00 21.31 H new ATOM 0 HD21 ASN A 85 7.076 -14.676 1.938 1.00 22.33 H new ATOM 0 HD22 ASN A 85 5.581 -14.051 1.234 1.00 22.33 H new ATOM 1282 N LYS A 86 1.261 -13.745 4.604 1.00 3.31 N ATOM 1283 CA LYS A 86 -0.140 -13.311 4.547 1.00 13.55 C ATOM 1284 C LYS A 86 -0.492 -12.372 5.717 1.00 4.33 C ATOM 1285 O LYS A 86 -1.240 -11.409 5.547 1.00 14.23 O ATOM 1286 CB LYS A 86 -1.064 -14.540 4.538 1.00 42.02 C ATOM 1287 CG LYS A 86 -2.549 -14.209 4.384 1.00 4.34 C ATOM 1288 CD LYS A 86 -3.384 -15.452 4.071 1.00 52.23 C ATOM 1289 CE LYS A 86 -3.268 -16.513 5.158 1.00 74.21 C ATOM 1290 NZ LYS A 86 -4.050 -17.736 4.828 1.00 12.52 N ATOM 0 H LYS A 86 1.384 -14.757 4.635 1.00 3.31 H new ATOM 0 HA LYS A 86 -0.285 -12.746 3.626 1.00 13.55 H new ATOM 0 HB2 LYS A 86 -0.764 -15.199 3.724 1.00 42.02 H new ATOM 0 HB3 LYS A 86 -0.921 -15.094 5.466 1.00 42.02 H new ATOM 0 HG2 LYS A 86 -2.915 -13.748 5.302 1.00 4.34 H new ATOM 0 HG3 LYS A 86 -2.676 -13.477 3.587 1.00 4.34 H new ATOM 0 HD2 LYS A 86 -4.429 -15.166 3.956 1.00 52.23 H new ATOM 0 HD3 LYS A 86 -3.062 -15.873 3.119 1.00 52.23 H new ATOM 0 HE2 LYS A 86 -2.220 -16.779 5.295 1.00 74.21 H new ATOM 0 HE3 LYS A 86 -3.619 -16.102 6.105 1.00 74.21 H new ATOM 0 HZ1 LYS A 86 -3.944 -18.433 5.593 1.00 12.52 H new ATOM 0 HZ2 LYS A 86 -5.054 -17.488 4.722 1.00 12.52 H new ATOM 0 HZ3 LYS A 86 -3.698 -18.143 3.938 1.00 12.52 H new ATOM 1304 N PHE A 87 0.067 -12.643 6.898 1.00 33.23 N ATOM 1305 CA PHE A 87 -0.141 -11.780 8.067 1.00 43.24 C ATOM 1306 C PHE A 87 0.638 -10.459 7.918 1.00 12.30 C ATOM 1307 O PHE A 87 0.086 -9.374 8.114 1.00 71.31 O ATOM 1308 CB PHE A 87 0.287 -12.499 9.356 1.00 4.44 C ATOM 1309 CG PHE A 87 -0.125 -11.773 10.614 1.00 35.33 C ATOM 1310 CD1 PHE A 87 -1.386 -11.965 11.165 1.00 13.02 C ATOM 1311 CD2 PHE A 87 0.744 -10.889 11.240 1.00 53.54 C ATOM 1312 CE1 PHE A 87 -1.768 -11.291 12.310 1.00 35.33 C ATOM 1313 CE2 PHE A 87 0.364 -10.213 12.383 1.00 40.34 C ATOM 1314 CZ PHE A 87 -0.892 -10.414 12.919 1.00 54.31 C ATOM 0 H PHE A 87 0.666 -13.450 7.072 1.00 33.23 H new ATOM 0 HA PHE A 87 -1.205 -11.552 8.129 1.00 43.24 H new ATOM 0 HB2 PHE A 87 -0.145 -13.500 9.365 1.00 4.44 H new ATOM 0 HB3 PHE A 87 1.370 -12.619 9.353 1.00 4.44 H new ATOM 0 HD1 PHE A 87 -2.076 -12.649 10.693 1.00 13.02 H new ATOM 0 HD2 PHE A 87 1.729 -10.728 10.828 1.00 53.54 H new ATOM 0 HE1 PHE A 87 -2.751 -11.450 12.728 1.00 35.33 H new ATOM 0 HE2 PHE A 87 1.050 -9.527 12.858 1.00 40.34 H new ATOM 0 HZ PHE A 87 -1.189 -9.886 13.813 1.00 54.31 H new ATOM 1324 N ALA A 88 1.921 -10.562 7.566 1.00 0.33 N ATOM 1325 CA ALA A 88 2.755 -9.378 7.309 1.00 42.53 C ATOM 1326 C ALA A 88 2.149 -8.504 6.198 1.00 11.30 C ATOM 1327 O ALA A 88 2.331 -7.286 6.168 1.00 31.25 O ATOM 1328 CB ALA A 88 4.175 -9.805 6.946 1.00 30.40 C ATOM 0 H ALA A 88 2.408 -11.451 7.451 1.00 0.33 H new ATOM 0 HA ALA A 88 2.791 -8.780 8.219 1.00 42.53 H new ATOM 0 HB1 ALA A 88 4.784 -8.921 6.758 1.00 30.40 H new ATOM 0 HB2 ALA A 88 4.606 -10.374 7.770 1.00 30.40 H new ATOM 0 HB3 ALA A 88 4.151 -10.426 6.051 1.00 30.40 H new ATOM 1334 N PHE A 89 1.423 -9.144 5.289 1.00 14.13 N ATOM 1335 CA PHE A 89 0.708 -8.441 4.227 1.00 12.03 C ATOM 1336 C PHE A 89 -0.531 -7.728 4.798 1.00 13.32 C ATOM 1337 O PHE A 89 -0.804 -6.574 4.472 1.00 34.52 O ATOM 1338 CB PHE A 89 0.308 -9.441 3.132 1.00 73.53 C ATOM 1339 CG PHE A 89 -0.075 -8.809 1.816 1.00 45.15 C ATOM 1340 CD1 PHE A 89 0.894 -8.515 0.865 1.00 43.52 C ATOM 1341 CD2 PHE A 89 -1.400 -8.521 1.524 1.00 3.44 C ATOM 1342 CE1 PHE A 89 0.548 -7.947 -0.345 1.00 25.45 C ATOM 1343 CE2 PHE A 89 -1.750 -7.954 0.314 1.00 11.15 C ATOM 1344 CZ PHE A 89 -0.776 -7.668 -0.621 1.00 41.43 C ATOM 0 H PHE A 89 1.313 -10.158 5.266 1.00 14.13 H new ATOM 0 HA PHE A 89 1.360 -7.684 3.791 1.00 12.03 H new ATOM 0 HB2 PHE A 89 1.138 -10.127 2.963 1.00 73.53 H new ATOM 0 HB3 PHE A 89 -0.530 -10.038 3.491 1.00 73.53 H new ATOM 0 HD1 PHE A 89 1.931 -8.733 1.075 1.00 43.52 H new ATOM 0 HD2 PHE A 89 -2.167 -8.743 2.251 1.00 3.44 H new ATOM 0 HE1 PHE A 89 1.312 -7.721 -1.075 1.00 25.45 H new ATOM 0 HE2 PHE A 89 -2.786 -7.735 0.100 1.00 11.15 H new ATOM 0 HZ PHE A 89 -1.049 -7.226 -1.568 1.00 41.43 H new ATOM 1354 N ARG A 90 -1.269 -8.428 5.670 1.00 13.15 N ATOM 1355 CA ARG A 90 -2.436 -7.849 6.353 1.00 54.10 C ATOM 1356 C ARG A 90 -2.073 -6.570 7.123 1.00 43.31 C ATOM 1357 O ARG A 90 -2.705 -5.528 6.938 1.00 31.42 O ATOM 1358 CB ARG A 90 -3.069 -8.863 7.325 1.00 62.14 C ATOM 1359 CG ARG A 90 -3.888 -9.961 6.653 1.00 12.41 C ATOM 1360 CD ARG A 90 -5.086 -9.397 5.889 1.00 44.21 C ATOM 1361 NE ARG A 90 -5.895 -8.489 6.708 1.00 2.32 N ATOM 1362 CZ ARG A 90 -7.050 -8.798 7.240 1.00 74.41 C ATOM 1363 NH1 ARG A 90 -7.537 -9.991 7.137 1.00 74.54 N ATOM 1364 NH2 ARG A 90 -7.710 -7.910 7.905 1.00 72.42 N ATOM 0 H ARG A 90 -1.079 -9.398 5.920 1.00 13.15 H new ATOM 0 HA ARG A 90 -3.156 -7.594 5.576 1.00 54.10 H new ATOM 0 HB2 ARG A 90 -2.277 -9.327 7.912 1.00 62.14 H new ATOM 0 HB3 ARG A 90 -3.710 -8.325 8.023 1.00 62.14 H new ATOM 0 HG2 ARG A 90 -3.251 -10.520 5.967 1.00 12.41 H new ATOM 0 HG3 ARG A 90 -4.238 -10.665 7.408 1.00 12.41 H new ATOM 0 HD2 ARG A 90 -4.732 -8.867 5.005 1.00 44.21 H new ATOM 0 HD3 ARG A 90 -5.710 -10.219 5.539 1.00 44.21 H new ATOM 0 HE ARG A 90 -5.532 -7.550 6.875 1.00 2.32 H new ATOM 0 HH11 ARG A 90 -7.019 -10.712 6.634 1.00 74.54 H new ATOM 0 HH12 ARG A 90 -8.439 -10.212 7.559 1.00 74.54 H new ATOM 0 HH21 ARG A 90 -7.331 -6.969 8.015 1.00 72.42 H new ATOM 0 HH22 ARG A 90 -8.610 -8.149 8.320 1.00 72.42 H new ATOM 1378 N GLU A 91 -1.060 -6.660 7.987 1.00 53.43 N ATOM 1379 CA GLU A 91 -0.631 -5.511 8.795 1.00 61.22 C ATOM 1380 C GLU A 91 -0.221 -4.330 7.899 1.00 42.22 C ATOM 1381 O GLU A 91 -0.615 -3.192 8.139 1.00 65.32 O ATOM 1382 CB GLU A 91 0.533 -5.900 9.727 1.00 71.14 C ATOM 1383 CG GLU A 91 1.837 -6.221 9.002 1.00 41.30 C ATOM 1384 CD GLU A 91 2.987 -6.527 9.944 1.00 74.14 C ATOM 1385 OE1 GLU A 91 2.932 -7.553 10.655 1.00 24.14 O ATOM 1386 OE2 GLU A 91 3.951 -5.730 9.994 1.00 42.41 O ATOM 0 H GLU A 91 -0.522 -7.512 8.147 1.00 53.43 H new ATOM 0 HA GLU A 91 -1.478 -5.201 9.408 1.00 61.22 H new ATOM 0 HB2 GLU A 91 0.711 -5.083 10.427 1.00 71.14 H new ATOM 0 HB3 GLU A 91 0.236 -6.767 10.318 1.00 71.14 H new ATOM 0 HG2 GLU A 91 1.678 -7.075 8.344 1.00 41.30 H new ATOM 0 HG3 GLU A 91 2.110 -5.377 8.368 1.00 41.30 H new ATOM 1393 N ALA A 92 0.556 -4.617 6.852 1.00 11.13 N ATOM 1394 CA ALA A 92 1.007 -3.586 5.911 1.00 71.33 C ATOM 1395 C ALA A 92 -0.182 -2.853 5.270 1.00 54.05 C ATOM 1396 O ALA A 92 -0.206 -1.622 5.205 1.00 71.12 O ATOM 1397 CB ALA A 92 1.893 -4.210 4.838 1.00 34.44 C ATOM 0 H ALA A 92 0.887 -5.557 6.633 1.00 11.13 H new ATOM 0 HA ALA A 92 1.587 -2.849 6.467 1.00 71.33 H new ATOM 0 HB1 ALA A 92 2.223 -3.437 4.144 1.00 34.44 H new ATOM 0 HB2 ALA A 92 2.762 -4.672 5.307 1.00 34.44 H new ATOM 0 HB3 ALA A 92 1.328 -4.968 4.295 1.00 34.44 H new ATOM 1403 N VAL A 93 -1.168 -3.620 4.805 1.00 20.31 N ATOM 1404 CA VAL A 93 -2.397 -3.053 4.240 1.00 53.45 C ATOM 1405 C VAL A 93 -3.175 -2.241 5.288 1.00 64.40 C ATOM 1406 O VAL A 93 -3.707 -1.170 4.990 1.00 50.31 O ATOM 1407 CB VAL A 93 -3.306 -4.167 3.660 1.00 12.04 C ATOM 1408 CG1 VAL A 93 -4.621 -3.597 3.135 1.00 1.20 C ATOM 1409 CG2 VAL A 93 -2.569 -4.929 2.564 1.00 34.24 C ATOM 0 H VAL A 93 -1.141 -4.640 4.808 1.00 20.31 H new ATOM 0 HA VAL A 93 -2.101 -2.382 3.434 1.00 53.45 H new ATOM 0 HB VAL A 93 -3.549 -4.860 4.466 1.00 12.04 H new ATOM 0 HG11 VAL A 93 -5.234 -4.405 2.736 1.00 1.20 H new ATOM 0 HG12 VAL A 93 -5.154 -3.105 3.948 1.00 1.20 H new ATOM 0 HG13 VAL A 93 -4.415 -2.874 2.346 1.00 1.20 H new ATOM 0 HG21 VAL A 93 -3.217 -5.709 2.164 1.00 34.24 H new ATOM 0 HG22 VAL A 93 -2.293 -4.241 1.765 1.00 34.24 H new ATOM 0 HG23 VAL A 93 -1.669 -5.383 2.979 1.00 34.24 H new ATOM 1419 N SER A 94 -3.218 -2.751 6.519 1.00 61.41 N ATOM 1420 CA SER A 94 -3.886 -2.051 7.624 1.00 4.24 C ATOM 1421 C SER A 94 -3.196 -0.712 7.914 1.00 52.35 C ATOM 1422 O SER A 94 -3.844 0.280 8.239 1.00 11.51 O ATOM 1423 CB SER A 94 -3.887 -2.924 8.890 1.00 13.02 C ATOM 1424 OG SER A 94 -4.524 -4.176 8.657 1.00 4.01 O ATOM 0 H SER A 94 -2.800 -3.644 6.779 1.00 61.41 H new ATOM 0 HA SER A 94 -4.917 -1.856 7.328 1.00 4.24 H new ATOM 0 HB2 SER A 94 -2.861 -3.091 9.219 1.00 13.02 H new ATOM 0 HB3 SER A 94 -4.399 -2.398 9.696 1.00 13.02 H new ATOM 0 HG SER A 94 -3.959 -4.728 8.077 1.00 4.01 H new ATOM 1430 N LYS A 95 -1.873 -0.696 7.785 1.00 23.31 N ATOM 1431 CA LYS A 95 -1.085 0.531 7.935 1.00 41.43 C ATOM 1432 C LYS A 95 -1.329 1.482 6.753 1.00 41.20 C ATOM 1433 O LYS A 95 -1.399 2.703 6.924 1.00 11.05 O ATOM 1434 CB LYS A 95 0.409 0.174 8.035 1.00 20.35 C ATOM 1435 CG LYS A 95 0.744 -0.717 9.231 1.00 40.05 C ATOM 1436 CD LYS A 95 2.135 -1.345 9.115 1.00 62.25 C ATOM 1437 CE LYS A 95 3.237 -0.294 9.037 1.00 65.41 C ATOM 1438 NZ LYS A 95 4.597 -0.901 9.062 1.00 0.34 N ATOM 0 H LYS A 95 -1.317 -1.525 7.575 1.00 23.31 H new ATOM 0 HA LYS A 95 -1.395 1.040 8.848 1.00 41.43 H new ATOM 0 HB2 LYS A 95 0.716 -0.330 7.119 1.00 20.35 H new ATOM 0 HB3 LYS A 95 0.990 1.093 8.103 1.00 20.35 H new ATOM 0 HG2 LYS A 95 0.689 -0.128 10.147 1.00 40.05 H new ATOM 0 HG3 LYS A 95 -0.003 -1.506 9.314 1.00 40.05 H new ATOM 0 HD2 LYS A 95 2.312 -1.992 9.974 1.00 62.25 H new ATOM 0 HD3 LYS A 95 2.174 -1.976 8.227 1.00 62.25 H new ATOM 0 HE2 LYS A 95 3.118 0.288 8.123 1.00 65.41 H new ATOM 0 HE3 LYS A 95 3.135 0.399 9.872 1.00 65.41 H new ATOM 0 HZ1 LYS A 95 5.314 -0.149 9.007 1.00 0.34 H new ATOM 0 HZ2 LYS A 95 4.723 -1.435 9.945 1.00 0.34 H new ATOM 0 HZ3 LYS A 95 4.706 -1.543 8.251 1.00 0.34 H new ATOM 1452 N LEU A 96 -1.473 0.907 5.561 1.00 63.31 N ATOM 1453 CA LEU A 96 -1.703 1.677 4.331 1.00 24.43 C ATOM 1454 C LEU A 96 -3.050 2.421 4.367 1.00 44.10 C ATOM 1455 O LEU A 96 -3.105 3.628 4.130 1.00 13.31 O ATOM 1456 CB LEU A 96 -1.652 0.740 3.113 1.00 11.53 C ATOM 1457 CG LEU A 96 -1.774 1.424 1.739 1.00 34.33 C ATOM 1458 CD1 LEU A 96 -0.593 2.359 1.486 1.00 35.33 C ATOM 1459 CD2 LEU A 96 -1.885 0.381 0.629 1.00 75.24 C ATOM 0 H LEU A 96 -1.434 -0.102 5.416 1.00 63.31 H new ATOM 0 HA LEU A 96 -0.914 2.425 4.252 1.00 24.43 H new ATOM 0 HB2 LEU A 96 -0.713 0.188 3.141 1.00 11.53 H new ATOM 0 HB3 LEU A 96 -2.455 0.008 3.207 1.00 11.53 H new ATOM 0 HG LEU A 96 -2.683 2.025 1.739 1.00 34.33 H new ATOM 0 HD11 LEU A 96 -0.704 2.829 0.509 1.00 35.33 H new ATOM 0 HD12 LEU A 96 -0.566 3.128 2.258 1.00 35.33 H new ATOM 0 HD13 LEU A 96 0.335 1.788 1.511 1.00 35.33 H new ATOM 0 HD21 LEU A 96 -1.970 0.883 -0.335 1.00 75.24 H new ATOM 0 HD22 LEU A 96 -0.996 -0.250 0.632 1.00 75.24 H new ATOM 0 HD23 LEU A 96 -2.768 -0.236 0.796 1.00 75.24 H new ATOM 1471 N GLU A 97 -4.131 1.699 4.671 1.00 5.40 N ATOM 1472 CA GLU A 97 -5.473 2.300 4.726 1.00 0.25 C ATOM 1473 C GLU A 97 -5.548 3.438 5.758 1.00 24.12 C ATOM 1474 O GLU A 97 -6.048 4.523 5.459 1.00 71.14 O ATOM 1475 CB GLU A 97 -6.537 1.234 5.040 1.00 52.51 C ATOM 1476 CG GLU A 97 -6.252 0.429 6.303 1.00 73.25 C ATOM 1477 CD GLU A 97 -7.330 -0.596 6.617 1.00 30.40 C ATOM 1478 OE1 GLU A 97 -8.391 -0.203 7.147 1.00 62.14 O ATOM 1479 OE2 GLU A 97 -7.121 -1.798 6.356 1.00 10.44 O ATOM 0 H GLU A 97 -4.108 0.701 4.883 1.00 5.40 H new ATOM 0 HA GLU A 97 -5.675 2.724 3.742 1.00 0.25 H new ATOM 0 HB2 GLU A 97 -7.506 1.722 5.143 1.00 52.51 H new ATOM 0 HB3 GLU A 97 -6.612 0.550 4.195 1.00 52.51 H new ATOM 0 HG2 GLU A 97 -5.296 -0.082 6.192 1.00 73.25 H new ATOM 0 HG3 GLU A 97 -6.153 1.112 7.147 1.00 73.25 H new ATOM 1486 N LEU A 98 -5.040 3.187 6.969 1.00 24.42 N ATOM 1487 CA LEU A 98 -5.023 4.201 8.032 1.00 52.34 C ATOM 1488 C LEU A 98 -4.235 5.445 7.601 1.00 63.31 C ATOM 1489 O LEU A 98 -4.683 6.578 7.789 1.00 53.02 O ATOM 1490 CB LEU A 98 -4.418 3.611 9.313 1.00 12.44 C ATOM 1491 CG LEU A 98 -5.229 2.475 9.963 1.00 71.44 C ATOM 1492 CD1 LEU A 98 -4.503 1.918 11.182 1.00 44.22 C ATOM 1493 CD2 LEU A 98 -6.631 2.951 10.343 1.00 52.42 C ATOM 0 H LEU A 98 -4.635 2.291 7.239 1.00 24.42 H new ATOM 0 HA LEU A 98 -6.052 4.504 8.227 1.00 52.34 H new ATOM 0 HB2 LEU A 98 -3.420 3.237 9.085 1.00 12.44 H new ATOM 0 HB3 LEU A 98 -4.299 4.413 10.042 1.00 12.44 H new ATOM 0 HG LEU A 98 -5.329 1.675 9.230 1.00 71.44 H new ATOM 0 HD11 LEU A 98 -5.096 1.117 11.624 1.00 44.22 H new ATOM 0 HD12 LEU A 98 -3.532 1.526 10.880 1.00 44.22 H new ATOM 0 HD13 LEU A 98 -4.362 2.712 11.916 1.00 44.22 H new ATOM 0 HD21 LEU A 98 -7.183 2.130 10.800 1.00 52.42 H new ATOM 0 HD22 LEU A 98 -6.556 3.776 11.051 1.00 52.42 H new ATOM 0 HD23 LEU A 98 -7.156 3.287 9.449 1.00 52.42 H new ATOM 1505 N SER A 99 -3.069 5.220 7.003 1.00 44.31 N ATOM 1506 CA SER A 99 -2.200 6.314 6.552 1.00 41.23 C ATOM 1507 C SER A 99 -2.861 7.133 5.423 1.00 51.52 C ATOM 1508 O SER A 99 -2.797 8.363 5.413 1.00 24.22 O ATOM 1509 CB SER A 99 -0.848 5.754 6.089 1.00 33.12 C ATOM 1510 OG SER A 99 0.065 6.791 5.766 1.00 2.35 O ATOM 0 H SER A 99 -2.699 4.288 6.817 1.00 44.31 H new ATOM 0 HA SER A 99 -2.038 6.986 7.394 1.00 41.23 H new ATOM 0 HB2 SER A 99 -0.425 5.128 6.874 1.00 33.12 H new ATOM 0 HB3 SER A 99 -0.997 5.116 5.218 1.00 33.12 H new ATOM 0 HG SER A 99 0.958 6.410 5.632 1.00 2.35 H new ATOM 1516 N LEU A 100 -3.517 6.449 4.484 1.00 14.41 N ATOM 1517 CA LEU A 100 -4.218 7.121 3.379 1.00 43.22 C ATOM 1518 C LEU A 100 -5.406 7.972 3.871 1.00 53.35 C ATOM 1519 O LEU A 100 -5.575 9.126 3.458 1.00 10.23 O ATOM 1520 CB LEU A 100 -4.712 6.089 2.353 1.00 41.53 C ATOM 1521 CG LEU A 100 -3.620 5.448 1.479 1.00 51.04 C ATOM 1522 CD1 LEU A 100 -4.202 4.339 0.607 1.00 23.23 C ATOM 1523 CD2 LEU A 100 -2.933 6.506 0.612 1.00 12.30 C ATOM 0 H LEU A 100 -3.580 5.431 4.463 1.00 14.41 H new ATOM 0 HA LEU A 100 -3.500 7.793 2.909 1.00 43.22 H new ATOM 0 HB2 LEU A 100 -5.238 5.297 2.885 1.00 41.53 H new ATOM 0 HB3 LEU A 100 -5.439 6.571 1.700 1.00 41.53 H new ATOM 0 HG LEU A 100 -2.875 5.006 2.140 1.00 51.04 H new ATOM 0 HD11 LEU A 100 -3.411 3.901 -0.002 1.00 23.23 H new ATOM 0 HD12 LEU A 100 -4.639 3.569 1.242 1.00 23.23 H new ATOM 0 HD13 LEU A 100 -4.972 4.754 -0.043 1.00 23.23 H new ATOM 0 HD21 LEU A 100 -2.164 6.033 0.001 1.00 12.30 H new ATOM 0 HD22 LEU A 100 -3.670 6.980 -0.036 1.00 12.30 H new ATOM 0 HD23 LEU A 100 -2.475 7.260 1.252 1.00 12.30 H new ATOM 1535 N GLN A 101 -6.230 7.402 4.750 1.00 13.41 N ATOM 1536 CA GLN A 101 -7.429 8.096 5.236 1.00 32.14 C ATOM 1537 C GLN A 101 -7.076 9.290 6.141 1.00 70.43 C ATOM 1538 O GLN A 101 -7.804 10.285 6.174 1.00 71.25 O ATOM 1539 CB GLN A 101 -8.366 7.118 5.965 1.00 10.01 C ATOM 1540 CG GLN A 101 -7.775 6.507 7.227 1.00 73.44 C ATOM 1541 CD GLN A 101 -8.680 5.462 7.858 1.00 14.14 C ATOM 1542 OE1 GLN A 101 -9.435 4.770 7.179 1.00 30.12 O ATOM 1543 NE2 GLN A 101 -8.604 5.333 9.165 1.00 13.11 N ATOM 0 H GLN A 101 -6.094 6.469 5.139 1.00 13.41 H new ATOM 0 HA GLN A 101 -7.950 8.493 4.365 1.00 32.14 H new ATOM 0 HB2 GLN A 101 -9.286 7.641 6.225 1.00 10.01 H new ATOM 0 HB3 GLN A 101 -8.638 6.315 5.280 1.00 10.01 H new ATOM 0 HG2 GLN A 101 -6.814 6.052 6.988 1.00 73.44 H new ATOM 0 HG3 GLN A 101 -7.582 7.298 7.951 1.00 73.44 H new ATOM 0 HE21 GLN A 101 -7.967 5.923 9.700 1.00 13.11 H new ATOM 0 HE22 GLN A 101 -9.182 4.643 9.644 1.00 13.11 H new ATOM 1552 N GLU A 102 -5.961 9.204 6.868 1.00 63.11 N ATOM 1553 CA GLU A 102 -5.512 10.331 7.692 1.00 62.54 C ATOM 1554 C GLU A 102 -4.831 11.407 6.829 1.00 75.31 C ATOM 1555 O GLU A 102 -4.944 12.598 7.111 1.00 11.31 O ATOM 1556 CB GLU A 102 -4.570 9.862 8.815 1.00 65.43 C ATOM 1557 CG GLU A 102 -3.194 9.404 8.340 1.00 55.54 C ATOM 1558 CD GLU A 102 -2.297 8.959 9.483 1.00 62.35 C ATOM 1559 OE1 GLU A 102 -1.742 9.829 10.185 1.00 4.33 O ATOM 1560 OE2 GLU A 102 -2.149 7.735 9.695 1.00 21.00 O ATOM 0 H GLU A 102 -5.360 8.381 6.905 1.00 63.11 H new ATOM 0 HA GLU A 102 -6.395 10.772 8.156 1.00 62.54 H new ATOM 0 HB2 GLU A 102 -4.441 10.677 9.527 1.00 65.43 H new ATOM 0 HB3 GLU A 102 -5.046 9.042 9.352 1.00 65.43 H new ATOM 0 HG2 GLU A 102 -3.313 8.581 7.635 1.00 55.54 H new ATOM 0 HG3 GLU A 102 -2.711 10.218 7.800 1.00 55.54 H new ATOM 1567 N LEU A 103 -4.144 10.983 5.767 1.00 22.13 N ATOM 1568 CA LEU A 103 -3.456 11.915 4.861 1.00 10.43 C ATOM 1569 C LEU A 103 -4.431 12.894 4.186 1.00 4.25 C ATOM 1570 O LEU A 103 -4.167 14.094 4.112 1.00 40.11 O ATOM 1571 CB LEU A 103 -2.676 11.140 3.787 1.00 32.33 C ATOM 1572 CG LEU A 103 -1.969 12.010 2.730 1.00 62.00 C ATOM 1573 CD1 LEU A 103 -0.991 12.988 3.380 1.00 44.10 C ATOM 1574 CD2 LEU A 103 -1.258 11.133 1.702 1.00 13.44 C ATOM 0 H LEU A 103 -4.047 10.001 5.510 1.00 22.13 H new ATOM 0 HA LEU A 103 -2.764 12.499 5.468 1.00 10.43 H new ATOM 0 HB2 LEU A 103 -1.929 10.519 4.281 1.00 32.33 H new ATOM 0 HB3 LEU A 103 -3.364 10.466 3.277 1.00 32.33 H new ATOM 0 HG LEU A 103 -2.729 12.597 2.215 1.00 62.00 H new ATOM 0 HD11 LEU A 103 -0.508 13.587 2.608 1.00 44.10 H new ATOM 0 HD12 LEU A 103 -1.532 13.643 4.063 1.00 44.10 H new ATOM 0 HD13 LEU A 103 -0.234 12.432 3.934 1.00 44.10 H new ATOM 0 HD21 LEU A 103 -0.765 11.765 0.964 1.00 13.44 H new ATOM 0 HD22 LEU A 103 -0.515 10.513 2.204 1.00 13.44 H new ATOM 0 HD23 LEU A 103 -1.986 10.494 1.203 1.00 13.44 H new ATOM 1586 N GLN A 104 -5.549 12.375 3.686 1.00 53.41 N ATOM 1587 CA GLN A 104 -6.542 13.205 2.988 1.00 11.14 C ATOM 1588 C GLN A 104 -7.171 14.262 3.915 1.00 50.33 C ATOM 1589 O GLN A 104 -7.454 15.384 3.486 1.00 2.53 O ATOM 1590 CB GLN A 104 -7.626 12.316 2.355 1.00 3.44 C ATOM 1591 CG GLN A 104 -8.326 11.386 3.340 1.00 61.50 C ATOM 1592 CD GLN A 104 -9.175 10.336 2.645 1.00 31.00 C ATOM 1593 OE1 GLN A 104 -10.353 10.540 2.382 1.00 44.22 O ATOM 1594 NE2 GLN A 104 -8.577 9.202 2.336 1.00 75.05 N ATOM 0 H GLN A 104 -5.795 11.387 3.748 1.00 53.41 H new ATOM 0 HA GLN A 104 -6.022 13.747 2.198 1.00 11.14 H new ATOM 0 HB2 GLN A 104 -8.372 12.954 1.882 1.00 3.44 H new ATOM 0 HB3 GLN A 104 -7.173 11.716 1.566 1.00 3.44 H new ATOM 0 HG2 GLN A 104 -7.579 10.892 3.962 1.00 61.50 H new ATOM 0 HG3 GLN A 104 -8.956 11.975 4.006 1.00 61.50 H new ATOM 0 HE21 GLN A 104 -7.594 9.064 2.569 1.00 75.05 H new ATOM 0 HE22 GLN A 104 -9.098 8.463 1.864 1.00 75.05 H new ATOM 1603 N VAL A 105 -7.373 13.916 5.188 1.00 41.13 N ATOM 1604 CA VAL A 105 -7.933 14.867 6.161 1.00 63.11 C ATOM 1605 C VAL A 105 -6.834 15.734 6.802 1.00 11.53 C ATOM 1606 O VAL A 105 -7.111 16.796 7.362 1.00 61.03 O ATOM 1607 CB VAL A 105 -8.738 14.146 7.275 1.00 22.22 C ATOM 1608 CG1 VAL A 105 -9.875 13.323 6.672 1.00 41.43 C ATOM 1609 CG2 VAL A 105 -7.831 13.266 8.134 1.00 53.44 C ATOM 0 H VAL A 105 -7.161 12.994 5.570 1.00 41.13 H new ATOM 0 HA VAL A 105 -8.612 15.513 5.604 1.00 63.11 H new ATOM 0 HB VAL A 105 -9.170 14.910 7.922 1.00 22.22 H new ATOM 0 HG11 VAL A 105 -10.427 12.826 7.470 1.00 41.43 H new ATOM 0 HG12 VAL A 105 -10.547 13.980 6.121 1.00 41.43 H new ATOM 0 HG13 VAL A 105 -9.463 12.575 5.995 1.00 41.43 H new ATOM 0 HG21 VAL A 105 -8.425 12.775 8.905 1.00 53.44 H new ATOM 0 HG22 VAL A 105 -7.356 12.512 7.507 1.00 53.44 H new ATOM 0 HG23 VAL A 105 -7.065 13.883 8.604 1.00 53.44 H new ATOM 1619 N SER A 106 -5.587 15.273 6.717 1.00 33.30 N ATOM 1620 CA SER A 106 -4.435 16.021 7.246 1.00 4.32 C ATOM 1621 C SER A 106 -3.658 16.714 6.123 1.00 2.02 C ATOM 1622 O SER A 106 -2.509 17.115 6.308 1.00 11.02 O ATOM 1623 CB SER A 106 -3.490 15.082 8.009 1.00 63.13 C ATOM 1624 OG SER A 106 -4.139 14.488 9.124 1.00 50.35 O ATOM 0 H SER A 106 -5.343 14.382 6.286 1.00 33.30 H new ATOM 0 HA SER A 106 -4.823 16.781 7.924 1.00 4.32 H new ATOM 0 HB2 SER A 106 -3.129 14.302 7.338 1.00 63.13 H new ATOM 0 HB3 SER A 106 -2.617 15.639 8.349 1.00 63.13 H new ATOM 0 HG SER A 106 -4.614 13.681 8.834 1.00 50.35 H new ATOM 1630 N SER A 107 -4.291 16.853 4.961 1.00 11.12 N ATOM 1631 CA SER A 107 -3.656 17.483 3.796 1.00 64.53 C ATOM 1632 C SER A 107 -3.180 18.905 4.109 1.00 15.45 C ATOM 1633 O SER A 107 -1.982 19.185 4.052 1.00 32.42 O ATOM 1634 CB SER A 107 -4.624 17.526 2.608 1.00 62.22 C ATOM 1635 OG SER A 107 -5.815 18.223 2.945 1.00 14.10 O ATOM 0 H SER A 107 -5.247 16.538 4.796 1.00 11.12 H new ATOM 0 HA SER A 107 -2.788 16.875 3.540 1.00 64.53 H new ATOM 0 HB2 SER A 107 -4.142 18.012 1.759 1.00 62.22 H new ATOM 0 HB3 SER A 107 -4.869 16.510 2.297 1.00 62.22 H new ATOM 0 HG SER A 107 -6.415 18.238 2.171 1.00 14.10 H new ATOM 1641 N ALA A 108 -4.132 19.789 4.422 1.00 20.42 N ATOM 1642 CA ALA A 108 -3.847 21.203 4.733 1.00 72.23 C ATOM 1643 C ALA A 108 -3.139 21.913 3.563 1.00 24.11 C ATOM 1644 O ALA A 108 -3.740 22.713 2.845 1.00 21.53 O ATOM 1645 CB ALA A 108 -3.022 21.321 6.015 1.00 72.23 C ATOM 0 H ALA A 108 -5.123 19.550 4.468 1.00 20.42 H new ATOM 0 HA ALA A 108 -4.803 21.702 4.889 1.00 72.23 H new ATOM 0 HB1 ALA A 108 -2.824 22.372 6.225 1.00 72.23 H new ATOM 0 HB2 ALA A 108 -3.576 20.883 6.846 1.00 72.23 H new ATOM 0 HB3 ALA A 108 -2.077 20.792 5.890 1.00 72.23 H new ATOM 1651 N ALA A 109 -1.857 21.606 3.384 1.00 14.52 N ATOM 1652 CA ALA A 109 -1.068 22.116 2.261 1.00 52.34 C ATOM 1653 C ALA A 109 -1.688 21.732 0.908 1.00 2.10 C ATOM 1654 O ALA A 109 -1.639 22.502 -0.056 1.00 63.35 O ATOM 1655 CB ALA A 109 0.343 21.559 2.347 1.00 32.32 C ATOM 0 H ALA A 109 -1.334 20.997 4.012 1.00 14.52 H new ATOM 0 HA ALA A 109 -1.053 23.204 2.325 1.00 52.34 H new ATOM 0 HB1 ALA A 109 0.934 21.936 1.513 1.00 32.32 H new ATOM 0 HB2 ALA A 109 0.800 21.870 3.286 1.00 32.32 H new ATOM 0 HB3 ALA A 109 0.308 20.470 2.304 1.00 32.32 H new ATOM 1661 N ALA A 110 -2.254 20.524 0.856 1.00 14.42 N ATOM 1662 CA ALA A 110 -2.848 19.958 -0.366 1.00 15.44 C ATOM 1663 C ALA A 110 -1.779 19.559 -1.402 1.00 53.43 C ATOM 1664 O ALA A 110 -1.667 18.389 -1.766 1.00 65.41 O ATOM 1665 CB ALA A 110 -3.876 20.913 -0.975 1.00 23.34 C ATOM 0 H ALA A 110 -2.315 19.904 1.664 1.00 14.42 H new ATOM 0 HA ALA A 110 -3.366 19.045 -0.074 1.00 15.44 H new ATOM 0 HB1 ALA A 110 -4.297 20.468 -1.876 1.00 23.34 H new ATOM 0 HB2 ALA A 110 -4.673 21.097 -0.255 1.00 23.34 H new ATOM 0 HB3 ALA A 110 -3.391 21.856 -1.229 1.00 23.34 H new ATOM 1671 N GLY A 111 -0.989 20.529 -1.872 1.00 35.42 N ATOM 1672 CA GLY A 111 0.041 20.240 -2.871 1.00 42.50 C ATOM 1673 C GLY A 111 1.426 20.767 -2.496 1.00 73.54 C ATOM 1674 O GLY A 111 1.971 21.643 -3.169 1.00 35.41 O ATOM 0 H GLY A 111 -1.042 21.505 -1.582 1.00 35.42 H new ATOM 0 HA2 GLY A 111 0.100 19.162 -3.018 1.00 42.50 H new ATOM 0 HA3 GLY A 111 -0.258 20.676 -3.824 1.00 42.50 H new ATOM 1678 N VAL A 112 2.001 20.227 -1.423 1.00 61.33 N ATOM 1679 CA VAL A 112 3.357 20.596 -0.987 1.00 74.51 C ATOM 1680 C VAL A 112 4.200 19.342 -0.678 1.00 54.44 C ATOM 1681 O VAL A 112 3.805 18.509 0.142 1.00 61.21 O ATOM 1682 CB VAL A 112 3.323 21.516 0.266 1.00 74.52 C ATOM 1683 CG1 VAL A 112 4.729 21.766 0.811 1.00 22.32 C ATOM 1684 CG2 VAL A 112 2.631 22.842 -0.055 1.00 61.03 C ATOM 0 H VAL A 112 1.550 19.528 -0.833 1.00 61.33 H new ATOM 0 HA VAL A 112 3.817 21.143 -1.810 1.00 74.51 H new ATOM 0 HB VAL A 112 2.750 21.002 1.038 1.00 74.52 H new ATOM 0 HG11 VAL A 112 4.670 22.413 1.687 1.00 22.32 H new ATOM 0 HG12 VAL A 112 5.185 20.816 1.091 1.00 22.32 H new ATOM 0 HG13 VAL A 112 5.336 22.248 0.044 1.00 22.32 H new ATOM 0 HG21 VAL A 112 2.618 23.471 0.835 1.00 61.03 H new ATOM 0 HG22 VAL A 112 3.173 23.352 -0.851 1.00 61.03 H new ATOM 0 HG23 VAL A 112 1.608 22.650 -0.378 1.00 61.03 H new ATOM 1694 N PRO A 113 5.367 19.185 -1.335 1.00 22.33 N ATOM 1695 CA PRO A 113 6.248 18.021 -1.120 1.00 74.34 C ATOM 1696 C PRO A 113 6.790 17.936 0.322 1.00 14.12 C ATOM 1697 O PRO A 113 7.276 18.923 0.875 1.00 62.24 O ATOM 1698 CB PRO A 113 7.392 18.246 -2.124 1.00 21.32 C ATOM 1699 CG PRO A 113 7.367 19.708 -2.417 1.00 42.33 C ATOM 1700 CD PRO A 113 5.924 20.120 -2.335 1.00 24.05 C ATOM 0 HA PRO A 113 5.716 17.081 -1.266 1.00 74.34 H new ATOM 0 HB2 PRO A 113 8.351 17.944 -1.703 1.00 21.32 H new ATOM 0 HB3 PRO A 113 7.243 17.659 -3.030 1.00 21.32 H new ATOM 0 HG2 PRO A 113 7.972 20.261 -1.699 1.00 42.33 H new ATOM 0 HG3 PRO A 113 7.777 19.915 -3.406 1.00 42.33 H new ATOM 0 HD2 PRO A 113 5.818 21.158 -2.020 1.00 24.05 H new ATOM 0 HD3 PRO A 113 5.422 20.027 -3.298 1.00 24.05 H new ATOM 1708 N GLY A 114 6.689 16.743 0.921 1.00 13.50 N ATOM 1709 CA GLY A 114 7.192 16.522 2.277 1.00 12.24 C ATOM 1710 C GLY A 114 6.333 17.147 3.380 1.00 32.01 C ATOM 1711 O GLY A 114 6.682 17.058 4.555 1.00 30.04 O ATOM 0 H GLY A 114 6.266 15.922 0.489 1.00 13.50 H new ATOM 0 HA2 GLY A 114 7.265 15.449 2.454 1.00 12.24 H new ATOM 0 HA3 GLY A 114 8.202 16.926 2.347 1.00 12.24 H new ATOM 1715 N THR A 115 5.200 17.755 3.009 1.00 4.02 N ATOM 1716 CA THR A 115 4.342 18.478 3.972 1.00 14.22 C ATOM 1717 C THR A 115 3.995 17.651 5.222 1.00 43.14 C ATOM 1718 O THR A 115 4.057 18.153 6.342 1.00 53.13 O ATOM 1719 CB THR A 115 3.017 18.957 3.321 1.00 45.25 C ATOM 1720 OG1 THR A 115 2.187 19.610 4.300 1.00 54.01 O ATOM 1721 CG2 THR A 115 2.244 17.800 2.687 1.00 2.00 C ATOM 0 H THR A 115 4.851 17.764 2.051 1.00 4.02 H new ATOM 0 HA THR A 115 4.939 19.336 4.281 1.00 14.22 H new ATOM 0 HB THR A 115 3.280 19.662 2.532 1.00 45.25 H new ATOM 0 HG1 THR A 115 1.720 18.935 4.835 1.00 54.01 H new ATOM 0 HG21 THR A 115 1.323 18.178 2.243 1.00 2.00 H new ATOM 0 HG22 THR A 115 2.855 17.334 1.914 1.00 2.00 H new ATOM 0 HG23 THR A 115 2.002 17.062 3.452 1.00 2.00 H new ATOM 1729 N ASN A 116 3.634 16.385 5.029 1.00 70.30 N ATOM 1730 CA ASN A 116 3.196 15.528 6.139 1.00 70.24 C ATOM 1731 C ASN A 116 4.085 14.280 6.269 1.00 23.41 C ATOM 1732 O ASN A 116 4.415 13.645 5.264 1.00 20.55 O ATOM 1733 CB ASN A 116 1.734 15.098 5.925 1.00 42.32 C ATOM 1734 CG ASN A 116 0.789 16.276 5.765 1.00 63.40 C ATOM 1735 OD1 ASN A 116 1.021 17.355 6.289 1.00 62.53 O ATOM 1736 ND2 ASN A 116 -0.291 16.079 5.038 1.00 24.34 N ATOM 0 H ASN A 116 3.634 15.926 4.118 1.00 70.30 H new ATOM 0 HA ASN A 116 3.280 16.105 7.060 1.00 70.24 H new ATOM 0 HB2 ASN A 116 1.672 14.466 5.039 1.00 42.32 H new ATOM 0 HB3 ASN A 116 1.411 14.492 6.772 1.00 42.32 H new ATOM 0 HD21 ASN A 116 -0.959 16.838 4.901 1.00 24.34 H new ATOM 0 HD22 ASN A 116 -0.460 15.168 4.612 1.00 24.34 H new ATOM 1743 N PRO A 117 4.463 13.888 7.507 1.00 40.21 N ATOM 1744 CA PRO A 117 5.259 12.666 7.743 1.00 51.23 C ATOM 1745 C PRO A 117 4.542 11.413 7.218 1.00 72.45 C ATOM 1746 O PRO A 117 5.175 10.413 6.877 1.00 52.51 O ATOM 1747 CB PRO A 117 5.404 12.612 9.274 1.00 64.33 C ATOM 1748 CG PRO A 117 4.326 13.505 9.799 1.00 73.14 C ATOM 1749 CD PRO A 117 4.156 14.587 8.768 1.00 72.34 C ATOM 0 HA PRO A 117 6.217 12.691 7.224 1.00 51.23 H new ATOM 0 HB2 PRO A 117 5.288 11.594 9.645 1.00 64.33 H new ATOM 0 HB3 PRO A 117 6.389 12.956 9.589 1.00 64.33 H new ATOM 0 HG2 PRO A 117 3.397 12.954 9.945 1.00 73.14 H new ATOM 0 HG3 PRO A 117 4.602 13.925 10.766 1.00 73.14 H new ATOM 0 HD2 PRO A 117 3.144 14.992 8.770 1.00 72.34 H new ATOM 0 HD3 PRO A 117 4.834 15.422 8.943 1.00 72.34 H new ATOM 1757 N VAL A 118 3.213 11.506 7.133 1.00 35.12 N ATOM 1758 CA VAL A 118 2.363 10.434 6.600 1.00 43.22 C ATOM 1759 C VAL A 118 2.876 9.914 5.240 1.00 51.14 C ATOM 1760 O VAL A 118 2.769 8.728 4.939 1.00 43.32 O ATOM 1761 CB VAL A 118 0.903 10.934 6.441 1.00 35.05 C ATOM 1762 CG1 VAL A 118 -0.009 9.823 5.933 1.00 34.35 C ATOM 1763 CG2 VAL A 118 0.380 11.505 7.762 1.00 31.23 C ATOM 0 H VAL A 118 2.692 12.330 7.433 1.00 35.12 H new ATOM 0 HA VAL A 118 2.397 9.611 7.314 1.00 43.22 H new ATOM 0 HB VAL A 118 0.901 11.731 5.698 1.00 35.05 H new ATOM 0 HG11 VAL A 118 -1.025 10.204 5.832 1.00 34.35 H new ATOM 0 HG12 VAL A 118 0.346 9.476 4.963 1.00 34.35 H new ATOM 0 HG13 VAL A 118 -0.001 8.994 6.641 1.00 34.35 H new ATOM 0 HG21 VAL A 118 -0.645 11.850 7.629 1.00 31.23 H new ATOM 0 HG22 VAL A 118 0.405 10.731 8.529 1.00 31.23 H new ATOM 0 HG23 VAL A 118 1.007 12.342 8.070 1.00 31.23 H new ATOM 1773 N LEU A 119 3.453 10.808 4.438 1.00 64.02 N ATOM 1774 CA LEU A 119 3.999 10.441 3.124 1.00 70.31 C ATOM 1775 C LEU A 119 5.112 9.383 3.255 1.00 13.54 C ATOM 1776 O LEU A 119 5.194 8.440 2.465 1.00 45.13 O ATOM 1777 CB LEU A 119 4.535 11.695 2.418 1.00 63.14 C ATOM 1778 CG LEU A 119 3.502 12.820 2.225 1.00 32.53 C ATOM 1779 CD1 LEU A 119 4.153 14.058 1.614 1.00 61.41 C ATOM 1780 CD2 LEU A 119 2.333 12.341 1.366 1.00 73.14 C ATOM 0 H LEU A 119 3.556 11.795 4.673 1.00 64.02 H new ATOM 0 HA LEU A 119 3.197 10.005 2.528 1.00 70.31 H new ATOM 0 HB2 LEU A 119 5.375 12.087 2.992 1.00 63.14 H new ATOM 0 HB3 LEU A 119 4.924 11.407 1.441 1.00 63.14 H new ATOM 0 HG LEU A 119 3.113 13.093 3.206 1.00 32.53 H new ATOM 0 HD11 LEU A 119 3.403 14.839 1.487 1.00 61.41 H new ATOM 0 HD12 LEU A 119 4.943 14.417 2.274 1.00 61.41 H new ATOM 0 HD13 LEU A 119 4.579 13.804 0.644 1.00 61.41 H new ATOM 0 HD21 LEU A 119 1.616 13.152 1.243 1.00 73.14 H new ATOM 0 HD22 LEU A 119 2.703 12.032 0.388 1.00 73.14 H new ATOM 0 HD23 LEU A 119 1.846 11.496 1.853 1.00 73.14 H new ATOM 1792 N ASN A 120 5.953 9.540 4.275 1.00 65.20 N ATOM 1793 CA ASN A 120 7.031 8.585 4.551 1.00 75.24 C ATOM 1794 C ASN A 120 6.469 7.288 5.155 1.00 63.32 C ATOM 1795 O ASN A 120 6.968 6.196 4.882 1.00 44.42 O ATOM 1796 CB ASN A 120 8.058 9.216 5.499 1.00 24.45 C ATOM 1797 CG ASN A 120 8.695 10.466 4.911 1.00 2.34 C ATOM 1798 OD1 ASN A 120 8.888 10.576 3.703 1.00 35.12 O ATOM 1799 ND2 ASN A 120 9.015 11.421 5.757 1.00 61.04 N ATOM 0 H ASN A 120 5.910 10.322 4.928 1.00 65.20 H new ATOM 0 HA ASN A 120 7.523 8.335 3.611 1.00 75.24 H new ATOM 0 HB2 ASN A 120 7.572 9.468 6.442 1.00 24.45 H new ATOM 0 HB3 ASN A 120 8.836 8.487 5.726 1.00 24.45 H new ATOM 0 HD21 ASN A 120 9.437 12.285 5.415 1.00 61.04 H new ATOM 0 HD22 ASN A 120 8.841 11.298 6.755 1.00 61.04 H new ATOM 1806 N ASN A 121 5.426 7.420 5.975 1.00 25.41 N ATOM 1807 CA ASN A 121 4.723 6.259 6.536 1.00 32.51 C ATOM 1808 C ASN A 121 4.112 5.392 5.423 1.00 33.44 C ATOM 1809 O ASN A 121 4.203 4.162 5.457 1.00 33.14 O ATOM 1810 CB ASN A 121 3.633 6.722 7.511 1.00 74.14 C ATOM 1811 CG ASN A 121 4.202 7.508 8.680 1.00 40.24 C ATOM 1812 OD1 ASN A 121 5.246 8.142 8.571 1.00 75.12 O ATOM 1813 ND2 ASN A 121 3.524 7.475 9.806 1.00 21.01 N ATOM 0 H ASN A 121 5.046 8.320 6.268 1.00 25.41 H new ATOM 0 HA ASN A 121 5.447 5.651 7.077 1.00 32.51 H new ATOM 0 HB2 ASN A 121 2.910 7.340 6.978 1.00 74.14 H new ATOM 0 HB3 ASN A 121 3.093 5.853 7.888 1.00 74.14 H new ATOM 0 HD21 ASN A 121 3.863 7.986 10.621 1.00 21.01 H new ATOM 0 HD22 ASN A 121 2.659 6.938 9.865 1.00 21.01 H new ATOM 1820 N LEU A 122 3.490 6.044 4.442 1.00 74.22 N ATOM 1821 CA LEU A 122 2.997 5.362 3.242 1.00 42.51 C ATOM 1822 C LEU A 122 4.131 4.611 2.532 1.00 44.34 C ATOM 1823 O LEU A 122 4.011 3.424 2.239 1.00 60.43 O ATOM 1824 CB LEU A 122 2.358 6.371 2.273 1.00 52.43 C ATOM 1825 CG LEU A 122 0.976 6.900 2.687 1.00 1.21 C ATOM 1826 CD1 LEU A 122 0.509 8.002 1.736 1.00 50.31 C ATOM 1827 CD2 LEU A 122 -0.041 5.761 2.722 1.00 75.35 C ATOM 0 H LEU A 122 3.314 7.049 4.453 1.00 74.22 H new ATOM 0 HA LEU A 122 2.243 4.640 3.555 1.00 42.51 H new ATOM 0 HB2 LEU A 122 3.034 7.219 2.161 1.00 52.43 H new ATOM 0 HB3 LEU A 122 2.270 5.902 1.293 1.00 52.43 H new ATOM 0 HG LEU A 122 1.059 7.325 3.687 1.00 1.21 H new ATOM 0 HD11 LEU A 122 -0.471 8.361 2.049 1.00 50.31 H new ATOM 0 HD12 LEU A 122 1.221 8.827 1.757 1.00 50.31 H new ATOM 0 HD13 LEU A 122 0.444 7.605 0.723 1.00 50.31 H new ATOM 0 HD21 LEU A 122 -1.015 6.152 3.017 1.00 75.35 H new ATOM 0 HD22 LEU A 122 -0.116 5.309 1.733 1.00 75.35 H new ATOM 0 HD23 LEU A 122 0.281 5.008 3.441 1.00 75.35 H new ATOM 1839 N LEU A 123 5.236 5.312 2.272 1.00 24.14 N ATOM 1840 CA LEU A 123 6.409 4.706 1.629 1.00 32.30 C ATOM 1841 C LEU A 123 6.875 3.452 2.391 1.00 23.51 C ATOM 1842 O LEU A 123 7.141 2.412 1.788 1.00 0.15 O ATOM 1843 CB LEU A 123 7.553 5.729 1.539 1.00 54.11 C ATOM 1844 CG LEU A 123 8.807 5.253 0.782 1.00 22.43 C ATOM 1845 CD1 LEU A 123 8.462 4.854 -0.654 1.00 51.02 C ATOM 1846 CD2 LEU A 123 9.890 6.334 0.797 1.00 14.04 C ATOM 0 H LEU A 123 5.346 6.301 2.496 1.00 24.14 H new ATOM 0 HA LEU A 123 6.123 4.402 0.622 1.00 32.30 H new ATOM 0 HB2 LEU A 123 7.176 6.629 1.053 1.00 54.11 H new ATOM 0 HB3 LEU A 123 7.845 6.012 2.550 1.00 54.11 H new ATOM 0 HG LEU A 123 9.195 4.372 1.293 1.00 22.43 H new ATOM 0 HD11 LEU A 123 9.365 4.522 -1.166 1.00 51.02 H new ATOM 0 HD12 LEU A 123 7.733 4.044 -0.641 1.00 51.02 H new ATOM 0 HD13 LEU A 123 8.042 5.712 -1.179 1.00 51.02 H new ATOM 0 HD21 LEU A 123 10.767 5.978 0.257 1.00 14.04 H new ATOM 0 HD22 LEU A 123 9.510 7.236 0.317 1.00 14.04 H new ATOM 0 HD23 LEU A 123 10.165 6.559 1.827 1.00 14.04 H new ATOM 1858 N SER A 124 6.956 3.560 3.719 1.00 10.30 N ATOM 1859 CA SER A 124 7.296 2.414 4.582 1.00 63.52 C ATOM 1860 C SER A 124 6.355 1.228 4.337 1.00 63.12 C ATOM 1861 O SER A 124 6.794 0.082 4.205 1.00 64.54 O ATOM 1862 CB SER A 124 7.229 2.817 6.065 1.00 60.21 C ATOM 1863 OG SER A 124 7.420 1.696 6.918 1.00 33.43 O ATOM 0 H SER A 124 6.791 4.429 4.226 1.00 10.30 H new ATOM 0 HA SER A 124 8.312 2.110 4.331 1.00 63.52 H new ATOM 0 HB2 SER A 124 7.990 3.568 6.274 1.00 60.21 H new ATOM 0 HB3 SER A 124 6.263 3.275 6.275 1.00 60.21 H new ATOM 0 HG SER A 124 7.373 1.985 7.853 1.00 33.43 H new ATOM 1869 N CYS A 125 5.055 1.510 4.277 1.00 21.14 N ATOM 1870 CA CYS A 125 4.043 0.473 4.043 1.00 55.31 C ATOM 1871 C CYS A 125 4.195 -0.156 2.651 1.00 74.40 C ATOM 1872 O CYS A 125 4.134 -1.374 2.505 1.00 63.01 O ATOM 1873 CB CYS A 125 2.633 1.054 4.208 1.00 13.22 C ATOM 1874 SG CYS A 125 2.327 1.774 5.839 1.00 54.01 S ATOM 0 H CYS A 125 4.674 2.450 4.387 1.00 21.14 H new ATOM 0 HA CYS A 125 4.195 -0.311 4.785 1.00 55.31 H new ATOM 0 HB2 CYS A 125 2.474 1.819 3.448 1.00 13.22 H new ATOM 0 HB3 CYS A 125 1.902 0.266 4.026 1.00 13.22 H new ATOM 0 HG CYS A 125 3.013 2.871 5.965 1.00 54.01 H new ATOM 1880 N VAL A 126 4.402 0.681 1.635 1.00 1.42 N ATOM 1881 CA VAL A 126 4.585 0.203 0.257 1.00 72.31 C ATOM 1882 C VAL A 126 5.804 -0.726 0.147 1.00 61.32 C ATOM 1883 O VAL A 126 5.730 -1.803 -0.459 1.00 73.21 O ATOM 1884 CB VAL A 126 4.748 1.388 -0.731 1.00 75.43 C ATOM 1885 CG1 VAL A 126 4.963 0.891 -2.159 1.00 52.41 C ATOM 1886 CG2 VAL A 126 3.540 2.319 -0.659 1.00 30.22 C ATOM 0 H VAL A 126 4.448 1.695 1.736 1.00 1.42 H new ATOM 0 HA VAL A 126 3.689 -0.358 -0.008 1.00 72.31 H new ATOM 0 HB VAL A 126 5.634 1.950 -0.437 1.00 75.43 H new ATOM 0 HG11 VAL A 126 5.074 1.744 -2.828 1.00 52.41 H new ATOM 0 HG12 VAL A 126 5.864 0.279 -2.199 1.00 52.41 H new ATOM 0 HG13 VAL A 126 4.105 0.295 -2.470 1.00 52.41 H new ATOM 0 HG21 VAL A 126 3.674 3.143 -1.359 1.00 30.22 H new ATOM 0 HG22 VAL A 126 2.638 1.765 -0.919 1.00 30.22 H new ATOM 0 HG23 VAL A 126 3.445 2.714 0.352 1.00 30.22 H new ATOM 1896 N GLN A 127 6.920 -0.311 0.746 1.00 22.03 N ATOM 1897 CA GLN A 127 8.134 -1.131 0.777 1.00 11.40 C ATOM 1898 C GLN A 127 7.853 -2.494 1.424 1.00 73.10 C ATOM 1899 O GLN A 127 8.239 -3.532 0.889 1.00 24.13 O ATOM 1900 CB GLN A 127 9.254 -0.399 1.531 1.00 52.11 C ATOM 1901 CG GLN A 127 9.669 0.913 0.873 1.00 3.43 C ATOM 1902 CD GLN A 127 10.741 1.662 1.648 1.00 24.40 C ATOM 1903 OE1 GLN A 127 10.828 1.574 2.870 1.00 54.44 O ATOM 1904 NE2 GLN A 127 11.564 2.409 0.942 1.00 3.10 N ATOM 0 H GLN A 127 7.010 0.589 1.217 1.00 22.03 H new ATOM 0 HA GLN A 127 8.459 -1.302 -0.249 1.00 11.40 H new ATOM 0 HB2 GLN A 127 8.924 -0.198 2.550 1.00 52.11 H new ATOM 0 HB3 GLN A 127 10.123 -1.053 1.600 1.00 52.11 H new ATOM 0 HG2 GLN A 127 10.035 0.707 -0.133 1.00 3.43 H new ATOM 0 HG3 GLN A 127 8.792 1.552 0.769 1.00 3.43 H new ATOM 0 HE21 GLN A 127 11.464 2.460 -0.072 1.00 3.10 H new ATOM 0 HE22 GLN A 127 12.301 2.937 1.409 1.00 3.10 H new ATOM 1913 N GLU A 128 7.152 -2.482 2.560 1.00 11.25 N ATOM 1914 CA GLU A 128 6.750 -3.723 3.236 1.00 41.52 C ATOM 1915 C GLU A 128 5.889 -4.602 2.311 1.00 13.23 C ATOM 1916 O GLU A 128 6.231 -5.748 2.052 1.00 2.33 O ATOM 1917 CB GLU A 128 5.969 -3.403 4.522 1.00 35.21 C ATOM 1918 CG GLU A 128 5.509 -4.637 5.307 1.00 71.14 C ATOM 1919 CD GLU A 128 6.639 -5.348 6.042 1.00 71.41 C ATOM 1920 OE1 GLU A 128 6.914 -4.984 7.207 1.00 60.21 O ATOM 1921 OE2 GLU A 128 7.242 -6.284 5.472 1.00 32.22 O ATOM 0 H GLU A 128 6.850 -1.630 3.032 1.00 11.25 H new ATOM 0 HA GLU A 128 7.656 -4.273 3.493 1.00 41.52 H new ATOM 0 HB2 GLU A 128 6.595 -2.788 5.169 1.00 35.21 H new ATOM 0 HB3 GLU A 128 5.095 -2.806 4.263 1.00 35.21 H new ATOM 0 HG2 GLU A 128 4.750 -4.336 6.029 1.00 71.14 H new ATOM 0 HG3 GLU A 128 5.035 -5.339 4.620 1.00 71.14 H new ATOM 1928 N ILE A 129 4.798 -4.038 1.781 1.00 64.13 N ATOM 1929 CA ILE A 129 3.855 -4.789 0.927 1.00 41.04 C ATOM 1930 C ILE A 129 4.574 -5.503 -0.232 1.00 44.24 C ATOM 1931 O ILE A 129 4.406 -6.709 -0.434 1.00 73.21 O ATOM 1932 CB ILE A 129 2.758 -3.855 0.339 1.00 13.23 C ATOM 1933 CG1 ILE A 129 1.913 -3.239 1.466 1.00 0.24 C ATOM 1934 CG2 ILE A 129 1.862 -4.610 -0.648 1.00 52.42 C ATOM 1935 CD1 ILE A 129 0.896 -2.218 0.989 1.00 22.52 C ATOM 0 H ILE A 129 4.541 -3.062 1.926 1.00 64.13 H new ATOM 0 HA ILE A 129 3.390 -5.538 1.569 1.00 41.04 H new ATOM 0 HB ILE A 129 3.257 -3.051 -0.203 1.00 13.23 H new ATOM 0 HG12 ILE A 129 1.391 -4.038 1.993 1.00 0.24 H new ATOM 0 HG13 ILE A 129 2.579 -2.764 2.187 1.00 0.24 H new ATOM 0 HG21 ILE A 129 1.105 -3.933 -1.043 1.00 52.42 H new ATOM 0 HG22 ILE A 129 2.468 -4.995 -1.468 1.00 52.42 H new ATOM 0 HG23 ILE A 129 1.375 -5.440 -0.136 1.00 52.42 H new ATOM 0 HD11 ILE A 129 0.341 -1.831 1.843 1.00 22.52 H new ATOM 0 HD12 ILE A 129 1.411 -1.398 0.489 1.00 22.52 H new ATOM 0 HD13 ILE A 129 0.205 -2.691 0.292 1.00 22.52 H new ATOM 1947 N SER A 130 5.373 -4.755 -0.986 1.00 61.34 N ATOM 1948 CA SER A 130 6.136 -5.325 -2.107 1.00 54.24 C ATOM 1949 C SER A 130 7.122 -6.397 -1.622 1.00 42.32 C ATOM 1950 O SER A 130 7.235 -7.469 -2.222 1.00 43.34 O ATOM 1951 CB SER A 130 6.898 -4.221 -2.856 1.00 32.22 C ATOM 1952 OG SER A 130 7.868 -3.602 -2.022 1.00 40.43 O ATOM 0 H SER A 130 5.513 -3.754 -0.847 1.00 61.34 H new ATOM 0 HA SER A 130 5.424 -5.794 -2.786 1.00 54.24 H new ATOM 0 HB2 SER A 130 7.387 -4.645 -3.733 1.00 32.22 H new ATOM 0 HB3 SER A 130 6.194 -3.471 -3.216 1.00 32.22 H new ATOM 0 HG SER A 130 7.427 -2.957 -1.431 1.00 40.43 H new ATOM 1958 N ASP A 131 7.816 -6.108 -0.521 1.00 13.24 N ATOM 1959 CA ASP A 131 8.802 -7.034 0.046 1.00 33.42 C ATOM 1960 C ASP A 131 8.141 -8.337 0.532 1.00 22.22 C ATOM 1961 O ASP A 131 8.702 -9.420 0.367 1.00 25.13 O ATOM 1962 CB ASP A 131 9.562 -6.348 1.187 1.00 60.53 C ATOM 1963 CG ASP A 131 10.677 -7.211 1.752 1.00 54.25 C ATOM 1964 OD1 ASP A 131 11.715 -7.372 1.076 1.00 34.21 O ATOM 1965 OD2 ASP A 131 10.530 -7.721 2.879 1.00 52.32 O ATOM 0 H ASP A 131 7.714 -5.237 -0.001 1.00 13.24 H new ATOM 0 HA ASP A 131 9.508 -7.305 -0.739 1.00 33.42 H new ATOM 0 HB2 ASP A 131 9.982 -5.410 0.825 1.00 60.53 H new ATOM 0 HB3 ASP A 131 8.863 -6.097 1.985 1.00 60.53 H new ATOM 1970 N VAL A 132 6.939 -8.232 1.109 1.00 20.54 N ATOM 1971 CA VAL A 132 6.183 -9.418 1.537 1.00 4.30 C ATOM 1972 C VAL A 132 5.969 -10.376 0.357 1.00 22.42 C ATOM 1973 O VAL A 132 6.092 -11.593 0.494 1.00 52.14 O ATOM 1974 CB VAL A 132 4.795 -9.063 2.138 1.00 24.22 C ATOM 1975 CG1 VAL A 132 4.074 -10.327 2.591 1.00 64.34 C ATOM 1976 CG2 VAL A 132 4.917 -8.081 3.300 1.00 74.12 C ATOM 0 H VAL A 132 6.470 -7.345 1.290 1.00 20.54 H new ATOM 0 HA VAL A 132 6.782 -9.893 2.314 1.00 4.30 H new ATOM 0 HB VAL A 132 4.212 -8.580 1.354 1.00 24.22 H new ATOM 0 HG11 VAL A 132 3.103 -10.062 3.010 1.00 64.34 H new ATOM 0 HG12 VAL A 132 3.932 -10.991 1.738 1.00 64.34 H new ATOM 0 HG13 VAL A 132 4.670 -10.834 3.350 1.00 64.34 H new ATOM 0 HG21 VAL A 132 3.925 -7.858 3.693 1.00 74.12 H new ATOM 0 HG22 VAL A 132 5.528 -8.523 4.087 1.00 74.12 H new ATOM 0 HG23 VAL A 132 5.385 -7.160 2.951 1.00 74.12 H new ATOM 1986 N VAL A 133 5.650 -9.807 -0.802 1.00 71.13 N ATOM 1987 CA VAL A 133 5.475 -10.589 -2.028 1.00 4.51 C ATOM 1988 C VAL A 133 6.820 -11.157 -2.517 1.00 15.10 C ATOM 1989 O VAL A 133 6.881 -12.246 -3.092 1.00 54.42 O ATOM 1990 CB VAL A 133 4.834 -9.724 -3.147 1.00 60.43 C ATOM 1991 CG1 VAL A 133 4.588 -10.546 -4.409 1.00 52.50 C ATOM 1992 CG2 VAL A 133 3.537 -9.079 -2.661 1.00 43.41 C ATOM 0 H VAL A 133 5.506 -8.804 -0.921 1.00 71.13 H new ATOM 0 HA VAL A 133 4.808 -11.419 -1.797 1.00 4.51 H new ATOM 0 HB VAL A 133 5.538 -8.930 -3.397 1.00 60.43 H new ATOM 0 HG11 VAL A 133 4.139 -9.913 -5.174 1.00 52.50 H new ATOM 0 HG12 VAL A 133 5.535 -10.942 -4.776 1.00 52.50 H new ATOM 0 HG13 VAL A 133 3.914 -11.372 -4.180 1.00 52.50 H new ATOM 0 HG21 VAL A 133 3.107 -8.478 -3.462 1.00 43.41 H new ATOM 0 HG22 VAL A 133 2.830 -9.857 -2.371 1.00 43.41 H new ATOM 0 HG23 VAL A 133 3.747 -8.441 -1.802 1.00 43.41 H new ATOM 2002 N GLN A 134 7.901 -10.414 -2.267 1.00 24.14 N ATOM 2003 CA GLN A 134 9.251 -10.839 -2.663 1.00 20.03 C ATOM 2004 C GLN A 134 9.847 -11.864 -1.680 1.00 50.14 C ATOM 2005 O GLN A 134 10.913 -12.428 -1.938 1.00 2.41 O ATOM 2006 CB GLN A 134 10.173 -9.615 -2.787 1.00 4.33 C ATOM 2007 CG GLN A 134 9.715 -8.618 -3.846 1.00 72.14 C ATOM 2008 CD GLN A 134 10.623 -7.404 -3.964 1.00 41.25 C ATOM 2009 OE1 GLN A 134 11.236 -6.969 -2.997 1.00 12.21 O ATOM 2010 NE2 GLN A 134 10.721 -6.850 -5.157 1.00 41.42 N ATOM 0 H GLN A 134 7.870 -9.512 -1.791 1.00 24.14 H new ATOM 0 HA GLN A 134 9.171 -11.331 -3.632 1.00 20.03 H new ATOM 0 HB2 GLN A 134 10.227 -9.110 -1.822 1.00 4.33 H new ATOM 0 HB3 GLN A 134 11.181 -9.952 -3.027 1.00 4.33 H new ATOM 0 HG2 GLN A 134 9.666 -9.121 -4.812 1.00 72.14 H new ATOM 0 HG3 GLN A 134 8.705 -8.285 -3.609 1.00 72.14 H new ATOM 0 HE21 GLN A 134 10.198 -7.236 -5.943 1.00 41.42 H new ATOM 0 HE22 GLN A 134 11.320 -6.036 -5.294 1.00 41.42 H new ATOM 2019 N ARG A 135 9.163 -12.101 -0.556 1.00 42.35 N ATOM 2020 CA ARG A 135 9.579 -13.133 0.415 1.00 43.40 C ATOM 2021 C ARG A 135 9.199 -14.556 -0.062 1.00 33.01 C ATOM 2022 O ARG A 135 10.028 -15.213 -0.733 1.00 37.73 O ATOM 2023 CB ARG A 135 8.947 -12.852 1.790 1.00 30.41 C ATOM 2024 CG ARG A 135 9.475 -11.597 2.478 1.00 34.33 C ATOM 2025 CD ARG A 135 8.690 -11.276 3.748 1.00 43.32 C ATOM 2026 NE ARG A 135 9.277 -10.160 4.487 1.00 33.31 N ATOM 2027 CZ ARG A 135 8.603 -9.152 4.977 1.00 21.31 C ATOM 2028 NH1 ARG A 135 7.325 -9.075 4.831 1.00 13.12 N ATOM 2029 NH2 ARG A 135 9.215 -8.217 5.625 1.00 10.02 N ATOM 2030 OXT ARG A 135 8.070 -15.011 0.229 1.00 37.73 O ATOM 0 H ARG A 135 8.318 -11.595 -0.291 1.00 42.35 H new ATOM 0 HA ARG A 135 10.665 -13.089 0.499 1.00 43.40 H new ATOM 0 HB2 ARG A 135 7.868 -12.759 1.669 1.00 30.41 H new ATOM 0 HB3 ARG A 135 9.122 -13.710 2.440 1.00 30.41 H new ATOM 0 HG2 ARG A 135 10.528 -11.733 2.726 1.00 34.33 H new ATOM 0 HG3 ARG A 135 9.416 -10.753 1.791 1.00 34.33 H new ATOM 0 HD2 ARG A 135 7.660 -11.035 3.486 1.00 43.32 H new ATOM 0 HD3 ARG A 135 8.659 -12.158 4.388 1.00 43.32 H new ATOM 0 HE ARG A 135 10.287 -10.168 4.631 1.00 33.31 H new ATOM 0 HH11 ARG A 135 6.824 -9.807 4.327 1.00 13.12 H new ATOM 0 HH12 ARG A 135 6.814 -8.282 5.219 1.00 13.12 H new ATOM 0 HH21 ARG A 135 10.226 -8.264 5.755 1.00 10.02 H new ATOM 0 HH22 ARG A 135 8.688 -7.432 6.006 1.00 10.02 H new