USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 0 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 17 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.5!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 SER OG : rot 129:sc= 0.874 USER MOD Set 2.2: A 77 TYR OH : rot -146:sc= -2.75! USER MOD Set 3.1: A 12 TYR OH : rot 165:sc= -0.0633 USER MOD Set 3.2: A 14 ASN : amide:sc= -0.481 X(o=-4.9,f=-4.5) USER MOD Set 3.3: A 50 MET CE :methyl 149:sc= -2.64 (180deg=-6.09!) USER MOD Set 3.4: A 53 GLN : amide:sc= -1.7 X(o=-4.9,f=-4.7) USER MOD Set 4.1: A 10 THR OG1 : rot 80:sc= 0.15 USER MOD Set 4.2: A 90 SER OG : rot 89:sc= -1.44! USER MOD Single : A 8 ASN : amide:sc= -0.0467 K(o=-0.047,f=-2.7!) USER MOD Single : A 9 HIS : no HE2:sc= -6.19! C(o=-6.2!,f=-9.5!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0833 (180deg=-0.557) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.1) USER MOD Single : A 34 SER OG : rot -4:sc= -0.84! USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 44:sc= -0.374! USER MOD Single : A 49 LYS NZ :NH3+ -123:sc= -0.139 (180deg=-0.688) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.062) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 63 SER OG : rot 170:sc= -1.32! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00409 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0521! F(o=-1.9,f=-0.052!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -119:sc= -2.64! (180deg=-4.73!) USER MOD Single : A 72 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.9!) USER MOD Single : A 81 MET CE :methyl 177:sc= 0 (180deg=-0.0114) USER MOD Single : A 84 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.017) USER MOD Single : A 85 TYR OH : rot 130:sc= -3.17! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0124 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 31.711 -3.681 -27.607 1.00 0.00 N ATOM 683 CA PRO A 7 30.993 -2.848 -26.625 1.00 0.00 C ATOM 684 C PRO A 7 31.510 -1.403 -26.678 1.00 0.00 C ATOM 685 O PRO A 7 32.627 -1.150 -27.126 1.00 0.00 O ATOM 686 CB PRO A 7 31.334 -3.498 -25.281 1.00 0.00 C ATOM 687 CG PRO A 7 32.650 -4.283 -25.493 1.00 0.00 C ATOM 688 CD PRO A 7 32.788 -4.512 -27.008 1.00 0.00 C ATOM 0 HA PRO A 7 29.919 -2.798 -26.807 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.454 -2.743 -24.504 1.00 0.00 H new ATOM 0 HB3 PRO A 7 30.533 -4.163 -24.958 1.00 0.00 H new ATOM 0 HG2 PRO A 7 33.502 -3.723 -25.107 1.00 0.00 H new ATOM 0 HG3 PRO A 7 32.625 -5.233 -24.959 1.00 0.00 H new ATOM 0 HD2 PRO A 7 33.771 -4.208 -27.368 1.00 0.00 H new ATOM 0 HD3 PRO A 7 32.666 -5.565 -27.264 1.00 0.00 H new ATOM 689 N ASN A 8 30.722 -0.449 -26.235 1.00 0.00 N ATOM 690 CA ASN A 8 31.181 0.970 -26.274 1.00 0.00 C ATOM 691 C ASN A 8 31.212 1.559 -24.855 1.00 0.00 C ATOM 692 O ASN A 8 32.282 1.741 -24.280 1.00 0.00 O ATOM 693 CB ASN A 8 30.235 1.788 -27.161 1.00 0.00 C ATOM 694 CG ASN A 8 30.515 1.474 -28.636 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.554 0.311 -29.028 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.716 2.453 -29.485 1.00 0.00 N ATOM 0 H ASN A 8 29.788 -0.594 -25.852 1.00 0.00 H new ATOM 0 HA ASN A 8 32.189 1.008 -26.687 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.199 1.553 -26.919 1.00 0.00 H new ATOM 0 HB3 ASN A 8 30.373 2.853 -26.973 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.904 2.247 -30.466 1.00 0.00 H new ATOM 0 HD22 ASN A 8 30.685 3.421 -29.164 1.00 0.00 H new ATOM 697 N HIS A 9 30.067 1.858 -24.279 1.00 0.00 N ATOM 698 CA HIS A 9 30.036 2.449 -22.894 1.00 0.00 C ATOM 699 C HIS A 9 28.595 2.864 -22.569 1.00 0.00 C ATOM 700 O HIS A 9 28.071 2.574 -21.494 1.00 0.00 O ATOM 701 CB HIS A 9 30.915 3.711 -22.831 1.00 0.00 C ATOM 702 CG HIS A 9 31.469 3.880 -21.442 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.791 3.597 -21.133 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.897 4.314 -20.272 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.965 3.862 -19.825 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.842 4.300 -19.253 1.00 0.00 N ATOM 0 H HIS A 9 29.152 1.719 -24.707 1.00 0.00 H new ATOM 0 HA HIS A 9 30.405 1.707 -22.186 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.730 3.633 -23.550 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.329 4.587 -23.107 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.501 3.251 -21.779 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.867 4.620 -20.160 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.901 3.735 -19.301 1.00 0.00 H new ATOM 707 N THR A 10 27.945 3.544 -23.488 1.00 0.00 N ATOM 708 CA THR A 10 26.543 3.984 -23.245 1.00 0.00 C ATOM 709 C THR A 10 25.603 3.199 -24.176 1.00 0.00 C ATOM 710 O THR A 10 26.032 2.677 -25.202 1.00 0.00 O ATOM 711 CB THR A 10 26.443 5.491 -23.537 1.00 0.00 C ATOM 712 OG1 THR A 10 27.226 6.204 -22.590 1.00 0.00 O ATOM 713 CG2 THR A 10 24.987 5.966 -23.447 1.00 0.00 C ATOM 0 H THR A 10 28.331 3.810 -24.394 1.00 0.00 H new ATOM 0 HA THR A 10 26.257 3.796 -22.210 1.00 0.00 H new ATOM 0 HB THR A 10 26.810 5.676 -24.546 1.00 0.00 H new ATOM 0 HG1 THR A 10 28.169 6.170 -22.853 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.939 7.035 -23.657 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.382 5.426 -24.175 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.604 5.776 -22.445 1.00 0.00 H new ATOM 714 N ILE A 11 24.333 3.112 -23.847 1.00 0.00 N ATOM 715 CA ILE A 11 23.383 2.378 -24.724 1.00 0.00 C ATOM 716 C ILE A 11 22.326 3.373 -25.231 1.00 0.00 C ATOM 717 O ILE A 11 22.139 4.442 -24.645 1.00 0.00 O ATOM 718 CB ILE A 11 22.716 1.241 -23.942 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.927 1.812 -22.761 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.788 0.286 -23.417 1.00 0.00 C ATOM 721 CD1 ILE A 11 21.037 0.716 -22.166 1.00 0.00 C ATOM 0 H ILE A 11 23.921 3.520 -23.008 1.00 0.00 H new ATOM 0 HA ILE A 11 23.914 1.940 -25.569 1.00 0.00 H new ATOM 0 HB ILE A 11 22.036 0.705 -24.604 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.611 2.192 -22.002 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.316 2.653 -23.090 1.00 0.00 H new ATOM 0 HG21 ILE A 11 23.314 -0.523 -22.861 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.347 -0.129 -24.255 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.468 0.828 -22.760 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.474 1.121 -21.325 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.344 0.357 -22.927 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.659 -0.111 -21.822 1.00 0.00 H new ATOM 722 N TYR A 12 21.645 3.059 -26.311 1.00 0.00 N ATOM 723 CA TYR A 12 20.631 4.007 -26.853 1.00 0.00 C ATOM 724 C TYR A 12 19.384 3.222 -27.314 1.00 0.00 C ATOM 725 O TYR A 12 19.406 2.556 -28.347 1.00 0.00 O ATOM 726 CB TYR A 12 21.282 4.770 -28.030 1.00 0.00 C ATOM 727 CG TYR A 12 20.242 5.357 -28.963 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.662 6.598 -28.681 1.00 0.00 C ATOM 729 CD2 TYR A 12 19.868 4.654 -30.114 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.706 7.137 -29.549 1.00 0.00 C ATOM 731 CE2 TYR A 12 18.914 5.191 -30.983 1.00 0.00 C ATOM 732 CZ TYR A 12 18.330 6.434 -30.702 1.00 0.00 C ATOM 733 OH TYR A 12 17.386 6.965 -31.559 1.00 0.00 O ATOM 0 H TYR A 12 21.751 2.190 -26.834 1.00 0.00 H new ATOM 0 HA TYR A 12 20.310 4.719 -26.092 1.00 0.00 H new ATOM 0 HB2 TYR A 12 21.913 5.569 -27.641 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.930 4.094 -28.587 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.952 7.140 -27.793 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.317 3.696 -30.331 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.258 8.095 -29.331 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.627 4.648 -31.871 1.00 0.00 H new ATOM 0 HH TYR A 12 17.413 6.485 -32.413 1.00 0.00 H new ATOM 734 N ILE A 13 18.292 3.305 -26.583 1.00 0.00 N ATOM 735 CA ILE A 13 17.055 2.577 -27.009 1.00 0.00 C ATOM 736 C ILE A 13 16.405 3.346 -28.169 1.00 0.00 C ATOM 737 O ILE A 13 16.532 4.565 -28.259 1.00 0.00 O ATOM 738 CB ILE A 13 16.067 2.482 -25.840 1.00 0.00 C ATOM 739 CG1 ILE A 13 16.747 1.790 -24.653 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.841 1.673 -26.266 1.00 0.00 C ATOM 741 CD1 ILE A 13 16.258 2.418 -23.347 1.00 0.00 C ATOM 0 H ILE A 13 18.207 3.840 -25.719 1.00 0.00 H new ATOM 0 HA ILE A 13 17.318 1.568 -27.327 1.00 0.00 H new ATOM 0 HB ILE A 13 15.754 3.485 -25.549 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.522 0.724 -24.663 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.830 1.888 -24.733 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.141 1.607 -25.433 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.356 2.164 -27.110 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.151 0.670 -26.559 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.742 1.926 -22.503 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.506 3.479 -23.339 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.178 2.297 -23.267 1.00 0.00 H new ATOM 742 N ASN A 14 15.720 2.669 -29.065 1.00 0.00 N ATOM 743 CA ASN A 14 15.083 3.383 -30.209 1.00 0.00 C ATOM 744 C ASN A 14 13.702 2.771 -30.491 1.00 0.00 C ATOM 745 O ASN A 14 13.423 1.639 -30.100 1.00 0.00 O ATOM 746 CB ASN A 14 15.987 3.243 -31.441 1.00 0.00 C ATOM 747 CG ASN A 14 15.322 3.880 -32.672 1.00 0.00 C ATOM 748 OD1 ASN A 14 14.975 3.179 -33.620 1.00 0.00 O ATOM 749 ND2 ASN A 14 15.123 5.174 -32.715 1.00 0.00 N ATOM 0 H ASN A 14 15.578 1.659 -29.049 1.00 0.00 H new ATOM 0 HA ASN A 14 14.955 4.439 -29.970 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.948 3.722 -31.251 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.189 2.189 -31.634 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.682 5.595 -33.533 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.409 5.760 -31.931 1.00 0.00 H new ATOM 750 N ASN A 15 12.823 3.493 -31.158 1.00 0.00 N ATOM 751 CA ASN A 15 11.463 2.946 -31.452 1.00 0.00 C ATOM 752 C ASN A 15 10.673 2.832 -30.141 1.00 0.00 C ATOM 753 O ASN A 15 10.040 1.813 -29.873 1.00 0.00 O ATOM 754 CB ASN A 15 11.576 1.564 -32.108 1.00 0.00 C ATOM 755 CG ASN A 15 10.502 1.425 -33.193 1.00 0.00 C ATOM 756 OD1 ASN A 15 10.759 1.707 -34.361 1.00 0.00 O ATOM 757 ND2 ASN A 15 9.302 1.003 -32.875 1.00 0.00 N ATOM 0 H ASN A 15 12.994 4.435 -31.509 1.00 0.00 H new ATOM 0 HA ASN A 15 10.947 3.617 -32.138 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.567 1.436 -32.544 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.454 0.782 -31.358 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.586 0.910 -33.596 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.084 0.768 -31.907 1.00 0.00 H new ATOM 758 N LEU A 16 10.692 3.859 -29.318 1.00 0.00 N ATOM 759 CA LEU A 16 9.934 3.794 -28.032 1.00 0.00 C ATOM 760 C LEU A 16 8.530 4.381 -28.241 1.00 0.00 C ATOM 761 O LEU A 16 8.185 4.806 -29.342 1.00 0.00 O ATOM 762 CB LEU A 16 10.670 4.596 -26.955 1.00 0.00 C ATOM 763 CG LEU A 16 11.590 3.664 -26.164 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.841 4.431 -25.728 1.00 0.00 C ATOM 765 CD2 LEU A 16 10.851 3.151 -24.926 1.00 0.00 C ATOM 0 H LEU A 16 11.196 4.730 -29.483 1.00 0.00 H new ATOM 0 HA LEU A 16 9.853 2.755 -27.711 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.252 5.394 -27.415 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.952 5.070 -26.285 1.00 0.00 H new ATOM 0 HG LEU A 16 11.880 2.821 -26.791 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.497 3.767 -25.164 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.367 4.799 -26.609 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.551 5.273 -25.100 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.505 2.487 -24.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.562 3.995 -24.299 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.959 2.606 -25.235 1.00 0.00 H new ATOM 766 N ASN A 17 7.712 4.419 -27.210 1.00 0.00 N ATOM 767 CA ASN A 17 6.338 4.989 -27.377 1.00 0.00 C ATOM 768 C ASN A 17 6.417 6.520 -27.338 1.00 0.00 C ATOM 769 O ASN A 17 7.288 7.089 -26.682 1.00 0.00 O ATOM 770 CB ASN A 17 5.420 4.498 -26.250 1.00 0.00 C ATOM 771 CG ASN A 17 3.974 4.436 -26.757 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.742 4.278 -27.955 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.978 4.550 -25.913 1.00 0.00 N ATOM 0 H ASN A 17 7.936 4.084 -26.273 1.00 0.00 H new ATOM 0 HA ASN A 17 5.931 4.662 -28.334 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.740 3.513 -25.910 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.488 5.169 -25.393 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.016 4.508 -26.250 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.164 4.681 -24.919 1.00 0.00 H new ATOM 774 N GLU A 18 5.531 7.204 -28.029 1.00 0.00 N ATOM 775 CA GLU A 18 5.576 8.695 -28.021 1.00 0.00 C ATOM 776 C GLU A 18 4.509 9.256 -27.063 1.00 0.00 C ATOM 777 O GLU A 18 3.939 10.316 -27.314 1.00 0.00 O ATOM 778 CB GLU A 18 5.310 9.216 -29.436 1.00 0.00 C ATOM 779 CG GLU A 18 6.624 9.261 -30.218 1.00 0.00 C ATOM 780 CD GLU A 18 6.327 9.475 -31.703 1.00 0.00 C ATOM 781 OE1 GLU A 18 5.953 8.514 -32.356 1.00 0.00 O ATOM 782 OE2 GLU A 18 6.477 10.595 -32.162 1.00 0.00 O ATOM 0 H GLU A 18 4.786 6.793 -28.592 1.00 0.00 H new ATOM 0 HA GLU A 18 6.561 9.019 -27.684 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.594 8.570 -29.944 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.867 10.211 -29.391 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.255 10.066 -29.843 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.176 8.331 -30.077 1.00 0.00 H new ATOM 783 N LYS A 19 4.229 8.584 -25.963 1.00 0.00 N ATOM 784 CA LYS A 19 3.213 9.106 -25.006 1.00 0.00 C ATOM 785 C LYS A 19 3.706 8.914 -23.561 1.00 0.00 C ATOM 786 O LYS A 19 2.904 8.749 -22.644 1.00 0.00 O ATOM 787 CB LYS A 19 1.898 8.346 -25.194 1.00 0.00 C ATOM 788 CG LYS A 19 1.308 8.664 -26.573 1.00 0.00 C ATOM 789 CD LYS A 19 0.116 9.613 -26.423 1.00 0.00 C ATOM 790 CE LYS A 19 0.015 10.506 -27.661 1.00 0.00 C ATOM 791 NZ LYS A 19 -0.520 9.712 -28.804 1.00 0.00 N ATOM 0 H LYS A 19 4.663 7.701 -25.695 1.00 0.00 H new ATOM 0 HA LYS A 19 3.057 10.168 -25.196 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.070 7.274 -25.100 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.191 8.625 -24.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.069 9.119 -27.208 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.992 7.744 -27.064 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.804 9.042 -26.298 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.235 10.225 -25.529 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.637 11.355 -27.458 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.996 10.910 -27.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.589 10.319 -29.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.119 8.915 -29.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.463 9.347 -28.562 1.00 0.00 H new ATOM 792 N ILE A 20 5.004 8.924 -23.331 1.00 0.00 N ATOM 793 CA ILE A 20 5.515 8.735 -21.944 1.00 0.00 C ATOM 794 C ILE A 20 5.864 10.091 -21.329 1.00 0.00 C ATOM 795 O ILE A 20 6.218 11.033 -22.036 1.00 0.00 O ATOM 796 CB ILE A 20 6.784 7.862 -21.952 1.00 0.00 C ATOM 797 CG1 ILE A 20 6.638 6.694 -22.944 1.00 0.00 C ATOM 798 CG2 ILE A 20 7.026 7.310 -20.540 1.00 0.00 C ATOM 799 CD1 ILE A 20 5.396 5.872 -22.602 1.00 0.00 C ATOM 0 H ILE A 20 5.721 9.055 -24.044 1.00 0.00 H new ATOM 0 HA ILE A 20 4.737 8.245 -21.358 1.00 0.00 H new ATOM 0 HB ILE A 20 7.630 8.475 -22.264 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.562 7.077 -23.962 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.525 6.061 -22.907 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.923 6.691 -20.540 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.156 8.138 -19.843 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.170 6.708 -20.233 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.300 5.047 -23.308 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.489 5.475 -21.591 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.512 6.507 -22.662 1.00 0.00 H new ATOM 800 N LYS A 21 5.793 10.207 -20.023 1.00 0.00 N ATOM 801 CA LYS A 21 6.144 11.503 -19.378 1.00 0.00 C ATOM 802 C LYS A 21 7.657 11.524 -19.123 1.00 0.00 C ATOM 803 O LYS A 21 8.364 10.587 -19.490 1.00 0.00 O ATOM 804 CB LYS A 21 5.393 11.653 -18.048 1.00 0.00 C ATOM 805 CG LYS A 21 4.170 12.552 -18.246 1.00 0.00 C ATOM 806 CD LYS A 21 3.806 13.220 -16.919 1.00 0.00 C ATOM 807 CE LYS A 21 2.936 12.272 -16.091 1.00 0.00 C ATOM 808 NZ LYS A 21 2.703 12.863 -14.743 1.00 0.00 N ATOM 0 H LYS A 21 5.509 9.464 -19.385 1.00 0.00 H new ATOM 0 HA LYS A 21 5.860 12.329 -20.031 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.082 10.674 -17.682 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.053 12.081 -17.293 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.381 13.310 -19.001 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.329 11.964 -18.612 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.711 13.475 -16.368 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.272 14.152 -17.104 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.984 12.101 -16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.425 11.302 -15.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.112 12.219 -14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.615 13.004 -14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.219 13.778 -14.844 1.00 0.00 H new ATOM 809 N LYS A 22 8.178 12.558 -18.501 1.00 0.00 N ATOM 810 CA LYS A 22 9.650 12.593 -18.236 1.00 0.00 C ATOM 811 C LYS A 22 9.940 11.881 -16.912 1.00 0.00 C ATOM 812 O LYS A 22 10.908 11.131 -16.800 1.00 0.00 O ATOM 813 CB LYS A 22 10.141 14.042 -18.157 1.00 0.00 C ATOM 814 CG LYS A 22 9.861 14.751 -19.482 1.00 0.00 C ATOM 815 CD LYS A 22 11.009 14.483 -20.457 1.00 0.00 C ATOM 816 CE LYS A 22 10.621 14.976 -21.853 1.00 0.00 C ATOM 817 NZ LYS A 22 10.126 16.380 -21.765 1.00 0.00 N ATOM 0 H LYS A 22 7.654 13.368 -18.170 1.00 0.00 H new ATOM 0 HA LYS A 22 10.172 12.089 -19.050 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.639 14.563 -17.341 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.209 14.063 -17.940 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.921 14.397 -19.905 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.753 15.823 -19.317 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.913 14.990 -20.119 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.234 13.417 -20.486 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.481 14.924 -22.521 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.849 14.333 -22.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.183 16.828 -22.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.138 16.380 -21.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.711 16.913 -21.090 1.00 0.00 H new ATOM 818 N ASP A 23 9.110 12.071 -15.913 1.00 0.00 N ATOM 819 CA ASP A 23 9.339 11.368 -14.618 1.00 0.00 C ATOM 820 C ASP A 23 8.935 9.892 -14.773 1.00 0.00 C ATOM 821 O ASP A 23 9.422 9.034 -14.039 1.00 0.00 O ATOM 822 CB ASP A 23 8.502 12.009 -13.504 1.00 0.00 C ATOM 823 CG ASP A 23 9.043 11.568 -12.141 1.00 0.00 C ATOM 824 OD1 ASP A 23 9.021 10.378 -11.874 1.00 0.00 O ATOM 825 OD2 ASP A 23 9.469 12.428 -11.389 1.00 0.00 O ATOM 0 H ASP A 23 8.291 12.678 -15.941 1.00 0.00 H new ATOM 0 HA ASP A 23 10.393 11.445 -14.352 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.537 13.095 -13.587 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.457 11.715 -13.605 1.00 0.00 H new ATOM 826 N GLU A 24 8.055 9.565 -15.708 1.00 0.00 N ATOM 827 CA GLU A 24 7.650 8.140 -15.872 1.00 0.00 C ATOM 828 C GLU A 24 8.737 7.370 -16.629 1.00 0.00 C ATOM 829 O GLU A 24 9.110 6.268 -16.232 1.00 0.00 O ATOM 830 CB GLU A 24 6.328 8.044 -16.643 1.00 0.00 C ATOM 831 CG GLU A 24 5.523 6.847 -16.128 1.00 0.00 C ATOM 832 CD GLU A 24 4.140 6.843 -16.779 1.00 0.00 C ATOM 833 OE1 GLU A 24 3.442 7.836 -16.650 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.800 5.847 -17.395 1.00 0.00 O ATOM 0 H GLU A 24 7.612 10.222 -16.350 1.00 0.00 H new ATOM 0 HA GLU A 24 7.517 7.704 -14.882 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.754 8.962 -16.518 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.524 7.933 -17.709 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.046 5.918 -16.356 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.426 6.900 -15.044 1.00 0.00 H new ATOM 835 N LEU A 25 9.257 7.913 -17.710 1.00 0.00 N ATOM 836 CA LEU A 25 10.313 7.167 -18.467 1.00 0.00 C ATOM 837 C LEU A 25 11.612 7.074 -17.646 1.00 0.00 C ATOM 838 O LEU A 25 12.380 6.128 -17.810 1.00 0.00 O ATOM 839 CB LEU A 25 10.608 7.858 -19.802 1.00 0.00 C ATOM 840 CG LEU A 25 10.975 6.804 -20.848 1.00 0.00 C ATOM 841 CD1 LEU A 25 9.721 6.026 -21.254 1.00 0.00 C ATOM 842 CD2 LEU A 25 11.564 7.496 -22.078 1.00 0.00 C ATOM 0 H LEU A 25 9.000 8.823 -18.093 1.00 0.00 H new ATOM 0 HA LEU A 25 9.938 6.161 -18.656 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.737 8.425 -20.131 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.426 8.569 -19.683 1.00 0.00 H new ATOM 0 HG LEU A 25 11.708 6.115 -20.428 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.984 5.275 -21.999 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.298 5.535 -20.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.987 6.713 -21.674 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.827 6.748 -22.826 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.829 8.184 -22.496 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.457 8.051 -21.791 1.00 0.00 H new ATOM 843 N LYS A 26 11.888 8.020 -16.771 1.00 0.00 N ATOM 844 CA LYS A 26 13.151 7.936 -15.971 1.00 0.00 C ATOM 845 C LYS A 26 12.974 6.963 -14.793 1.00 0.00 C ATOM 846 O LYS A 26 13.933 6.320 -14.374 1.00 0.00 O ATOM 847 CB LYS A 26 13.537 9.320 -15.437 1.00 0.00 C ATOM 848 CG LYS A 26 14.913 9.244 -14.773 1.00 0.00 C ATOM 849 CD LYS A 26 15.662 10.558 -14.996 1.00 0.00 C ATOM 850 CE LYS A 26 16.858 10.632 -14.045 1.00 0.00 C ATOM 851 NZ LYS A 26 17.660 11.850 -14.351 1.00 0.00 N ATOM 0 H LYS A 26 11.301 8.833 -16.581 1.00 0.00 H new ATOM 0 HA LYS A 26 13.945 7.570 -16.622 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.554 10.044 -16.251 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.793 9.665 -14.719 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.803 9.053 -13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.483 8.413 -15.189 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.001 10.624 -16.030 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.995 11.403 -14.825 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.513 10.661 -13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.476 9.740 -14.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.473 11.901 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.000 11.804 -15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.067 12.696 -14.229 1.00 0.00 H new ATOM 852 N LYS A 27 11.784 6.829 -14.243 1.00 0.00 N ATOM 853 CA LYS A 27 11.605 5.877 -13.102 1.00 0.00 C ATOM 854 C LYS A 27 11.535 4.423 -13.619 1.00 0.00 C ATOM 855 O LYS A 27 11.808 3.487 -12.868 1.00 0.00 O ATOM 856 CB LYS A 27 10.323 6.212 -12.322 1.00 0.00 C ATOM 857 CG LYS A 27 9.092 6.041 -13.223 1.00 0.00 C ATOM 858 CD LYS A 27 8.011 5.251 -12.482 1.00 0.00 C ATOM 859 CE LYS A 27 8.268 3.752 -12.651 1.00 0.00 C ATOM 860 NZ LYS A 27 7.688 3.015 -11.492 1.00 0.00 N ATOM 0 H LYS A 27 10.944 7.331 -14.532 1.00 0.00 H new ATOM 0 HA LYS A 27 12.462 5.976 -12.436 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.238 5.562 -11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.372 7.236 -11.951 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.706 7.017 -13.515 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.371 5.521 -14.140 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.014 5.514 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.026 5.508 -12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.822 3.398 -13.581 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.339 3.561 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.862 1.996 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.133 3.346 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.663 3.188 -11.448 1.00 0.00 H new ATOM 861 N SER A 28 11.177 4.199 -14.872 1.00 0.00 N ATOM 862 CA SER A 28 11.103 2.794 -15.377 1.00 0.00 C ATOM 863 C SER A 28 12.484 2.342 -15.877 1.00 0.00 C ATOM 864 O SER A 28 12.880 1.197 -15.663 1.00 0.00 O ATOM 865 CB SER A 28 10.093 2.699 -16.523 1.00 0.00 C ATOM 866 OG SER A 28 8.778 2.860 -16.004 1.00 0.00 O ATOM 0 H SER A 28 10.938 4.922 -15.551 1.00 0.00 H new ATOM 0 HA SER A 28 10.783 2.147 -14.560 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.299 3.467 -17.269 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.183 1.735 -17.024 1.00 0.00 H new ATOM 0 HG SER A 28 8.305 3.546 -16.519 1.00 0.00 H new ATOM 867 N LEU A 29 13.230 3.205 -16.539 1.00 0.00 N ATOM 868 CA LEU A 29 14.579 2.783 -17.044 1.00 0.00 C ATOM 869 C LEU A 29 15.539 2.607 -15.859 1.00 0.00 C ATOM 870 O LEU A 29 16.309 1.649 -15.807 1.00 0.00 O ATOM 871 CB LEU A 29 15.145 3.839 -18.002 1.00 0.00 C ATOM 872 CG LEU A 29 14.400 3.770 -19.335 1.00 0.00 C ATOM 873 CD1 LEU A 29 14.534 5.108 -20.066 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.000 2.659 -20.198 1.00 0.00 C ATOM 0 H LEU A 29 12.966 4.168 -16.748 1.00 0.00 H new ATOM 0 HA LEU A 29 14.473 1.839 -17.578 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.042 4.833 -17.567 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.210 3.669 -18.159 1.00 0.00 H new ATOM 0 HG LEU A 29 13.347 3.560 -19.150 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.003 5.058 -21.016 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.107 5.902 -19.453 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.588 5.318 -20.250 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.469 2.610 -21.149 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.054 2.870 -20.382 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.906 1.705 -19.680 1.00 0.00 H new ATOM 875 N HIS A 30 15.510 3.507 -14.906 1.00 0.00 N ATOM 876 CA HIS A 30 16.428 3.377 -13.727 1.00 0.00 C ATOM 877 C HIS A 30 16.119 2.089 -12.944 1.00 0.00 C ATOM 878 O HIS A 30 17.004 1.524 -12.308 1.00 0.00 O ATOM 879 CB HIS A 30 16.272 4.585 -12.793 1.00 0.00 C ATOM 880 CG HIS A 30 17.534 4.768 -11.995 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.584 4.545 -10.628 1.00 0.00 N ATOM 882 CD2 HIS A 30 18.801 5.151 -12.358 1.00 0.00 C ATOM 883 CE1 HIS A 30 18.843 4.793 -10.222 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.626 5.166 -11.238 1.00 0.00 N ATOM 0 H HIS A 30 14.896 4.321 -14.891 1.00 0.00 H new ATOM 0 HA HIS A 30 17.452 3.336 -14.098 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.063 5.483 -13.374 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.425 4.434 -12.124 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.111 5.403 -13.362 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.179 4.702 -9.200 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.616 5.409 -11.201 1.00 0.00 H new ATOM 885 N ALA A 31 14.892 1.607 -12.961 1.00 0.00 N ATOM 886 CA ALA A 31 14.577 0.358 -12.196 1.00 0.00 C ATOM 887 C ALA A 31 15.056 -0.872 -12.987 1.00 0.00 C ATOM 888 O ALA A 31 15.992 -1.555 -12.578 1.00 0.00 O ATOM 889 CB ALA A 31 13.062 0.253 -11.952 1.00 0.00 C ATOM 0 H ALA A 31 14.108 2.021 -13.465 1.00 0.00 H new ATOM 0 HA ALA A 31 15.091 0.396 -11.236 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.845 -0.659 -11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.725 1.117 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.540 0.226 -12.909 1.00 0.00 H new ATOM 890 N ILE A 32 14.417 -1.188 -14.094 1.00 0.00 N ATOM 891 CA ILE A 32 14.818 -2.384 -14.884 1.00 0.00 C ATOM 892 C ILE A 32 16.349 -2.459 -15.087 1.00 0.00 C ATOM 893 O ILE A 32 16.978 -3.439 -14.705 1.00 0.00 O ATOM 894 CB ILE A 32 14.122 -2.399 -16.259 1.00 0.00 C ATOM 895 CG1 ILE A 32 13.937 -0.987 -16.870 1.00 0.00 C ATOM 896 CG2 ILE A 32 12.756 -3.076 -16.129 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.506 -0.957 -18.291 1.00 0.00 C ATOM 0 H ILE A 32 13.633 -0.662 -14.479 1.00 0.00 H new ATOM 0 HA ILE A 32 14.504 -3.255 -14.308 1.00 0.00 H new ATOM 0 HB ILE A 32 14.772 -2.954 -16.935 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.879 -0.724 -16.887 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.441 -0.244 -16.251 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.262 -3.088 -17.100 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.889 -4.099 -15.777 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.143 -2.524 -15.417 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.373 0.038 -18.715 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.568 -1.200 -18.263 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.983 -1.687 -18.908 1.00 0.00 H new ATOM 898 N PHE A 33 16.955 -1.474 -15.696 1.00 0.00 N ATOM 899 CA PHE A 33 18.440 -1.534 -15.934 1.00 0.00 C ATOM 900 C PHE A 33 19.222 -1.611 -14.606 1.00 0.00 C ATOM 901 O PHE A 33 20.297 -2.206 -14.555 1.00 0.00 O ATOM 902 CB PHE A 33 18.894 -0.289 -16.708 1.00 0.00 C ATOM 903 CG PHE A 33 18.653 -0.500 -18.184 1.00 0.00 C ATOM 904 CD1 PHE A 33 19.184 -1.624 -18.826 1.00 0.00 C ATOM 905 CD2 PHE A 33 17.898 0.430 -18.908 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.960 -1.820 -20.194 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.674 0.234 -20.277 1.00 0.00 C ATOM 908 CZ PHE A 33 18.205 -0.891 -20.920 1.00 0.00 C ATOM 0 H PHE A 33 16.494 -0.631 -16.040 1.00 0.00 H new ATOM 0 HA PHE A 33 18.647 -2.435 -16.512 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.347 0.588 -16.361 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.951 -0.099 -16.525 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.767 -2.341 -18.266 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.489 1.298 -18.412 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.370 -2.688 -20.689 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.092 0.951 -20.837 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.032 -1.042 -21.975 1.00 0.00 H new ATOM 909 N SER A 34 18.736 -1.009 -13.542 1.00 0.00 N ATOM 910 CA SER A 34 19.506 -1.049 -12.249 1.00 0.00 C ATOM 911 C SER A 34 19.584 -2.477 -11.673 1.00 0.00 C ATOM 912 O SER A 34 20.525 -2.795 -10.948 1.00 0.00 O ATOM 913 CB SER A 34 18.852 -0.132 -11.208 1.00 0.00 C ATOM 914 OG SER A 34 17.472 -0.453 -11.097 1.00 0.00 O ATOM 0 H SER A 34 17.853 -0.499 -13.510 1.00 0.00 H new ATOM 0 HA SER A 34 20.517 -0.705 -12.469 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.343 -0.251 -10.242 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.972 0.911 -11.500 1.00 0.00 H new ATOM 0 HG SER A 34 17.241 -1.137 -11.760 1.00 0.00 H new ATOM 915 N ARG A 35 18.625 -3.345 -11.947 1.00 0.00 N ATOM 916 CA ARG A 35 18.693 -4.733 -11.366 1.00 0.00 C ATOM 917 C ARG A 35 20.082 -5.365 -11.604 1.00 0.00 C ATOM 918 O ARG A 35 20.552 -6.159 -10.789 1.00 0.00 O ATOM 919 CB ARG A 35 17.606 -5.632 -11.982 1.00 0.00 C ATOM 920 CG ARG A 35 17.864 -5.832 -13.478 1.00 0.00 C ATOM 921 CD ARG A 35 16.532 -6.048 -14.195 1.00 0.00 C ATOM 922 NE ARG A 35 15.911 -7.316 -13.719 1.00 0.00 N ATOM 923 CZ ARG A 35 15.897 -8.367 -14.492 1.00 0.00 C ATOM 924 NH1 ARG A 35 17.001 -8.780 -15.052 1.00 0.00 N ATOM 925 NH2 ARG A 35 14.779 -9.004 -14.705 1.00 0.00 N ATOM 0 H ARG A 35 17.814 -3.156 -12.536 1.00 0.00 H new ATOM 0 HA ARG A 35 18.524 -4.651 -10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 35 17.594 -6.597 -11.476 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.625 -5.182 -11.833 1.00 0.00 H new ATOM 0 HG2 ARG A 35 18.375 -4.962 -13.890 1.00 0.00 H new ATOM 0 HG3 ARG A 35 18.518 -6.690 -13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.863 -5.209 -14.003 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.690 -6.090 -15.273 1.00 0.00 H new ATOM 0 HE ARG A 35 15.497 -7.362 -12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.875 -8.281 -14.885 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.990 -9.602 -15.656 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.916 -8.680 -14.267 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.767 -9.826 -15.309 1.00 0.00 H new ATOM 926 N PHE A 36 20.754 -5.039 -12.692 1.00 0.00 N ATOM 927 CA PHE A 36 22.104 -5.644 -12.934 1.00 0.00 C ATOM 928 C PHE A 36 23.125 -5.011 -11.977 1.00 0.00 C ATOM 929 O PHE A 36 23.803 -5.714 -11.229 1.00 0.00 O ATOM 930 CB PHE A 36 22.547 -5.399 -14.383 1.00 0.00 C ATOM 931 CG PHE A 36 22.070 -6.535 -15.253 1.00 0.00 C ATOM 932 CD1 PHE A 36 22.699 -7.784 -15.184 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.997 -6.339 -16.129 1.00 0.00 C ATOM 934 CE1 PHE A 36 22.254 -8.837 -15.992 1.00 0.00 C ATOM 935 CE2 PHE A 36 20.552 -7.389 -16.937 1.00 0.00 C ATOM 936 CZ PHE A 36 21.181 -8.640 -16.870 1.00 0.00 C ATOM 0 H PHE A 36 20.429 -4.391 -13.409 1.00 0.00 H new ATOM 0 HA PHE A 36 22.046 -6.718 -12.758 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.140 -4.454 -14.744 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.633 -5.319 -14.434 1.00 0.00 H new ATOM 0 HD1 PHE A 36 23.527 -7.935 -14.508 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.512 -5.375 -16.181 1.00 0.00 H new ATOM 0 HE1 PHE A 36 22.738 -9.801 -15.938 1.00 0.00 H new ATOM 0 HE2 PHE A 36 19.724 -7.237 -17.613 1.00 0.00 H new ATOM 0 HZ PHE A 36 20.838 -9.451 -17.495 1.00 0.00 H new ATOM 937 N GLY A 37 23.254 -3.702 -11.981 1.00 0.00 N ATOM 938 CA GLY A 37 24.240 -3.051 -11.064 1.00 0.00 C ATOM 939 C GLY A 37 23.809 -1.606 -10.771 1.00 0.00 C ATOM 940 O GLY A 37 22.621 -1.322 -10.615 1.00 0.00 O ATOM 0 H GLY A 37 22.723 -3.065 -12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 37 24.311 -3.614 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.231 -3.059 -11.517 1.00 0.00 H new ATOM 941 N GLN A 38 24.743 -0.680 -10.694 1.00 0.00 N ATOM 942 CA GLN A 38 24.365 0.736 -10.414 1.00 0.00 C ATOM 943 C GLN A 38 24.316 1.520 -11.732 1.00 0.00 C ATOM 944 O GLN A 38 25.130 1.296 -12.627 1.00 0.00 O ATOM 945 CB GLN A 38 25.400 1.371 -9.483 1.00 0.00 C ATOM 946 CG GLN A 38 24.941 2.777 -9.094 1.00 0.00 C ATOM 947 CD GLN A 38 26.049 3.476 -8.296 1.00 0.00 C ATOM 948 OE1 GLN A 38 26.780 2.829 -7.550 1.00 0.00 O ATOM 949 NE2 GLN A 38 26.218 4.772 -8.408 1.00 0.00 N ATOM 0 H GLN A 38 25.742 -0.848 -10.813 1.00 0.00 H new ATOM 0 HA GLN A 38 23.386 0.761 -9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 38 25.526 0.758 -8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 38 26.370 1.417 -9.978 1.00 0.00 H new ATOM 0 HG2 GLN A 38 24.703 3.354 -9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.030 2.722 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 38 25.614 5.314 -9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 38 26.954 5.238 -7.877 1.00 0.00 H new ATOM 950 N ILE A 39 23.381 2.435 -11.878 1.00 0.00 N ATOM 951 CA ILE A 39 23.299 3.217 -13.145 1.00 0.00 C ATOM 952 C ILE A 39 23.931 4.601 -12.936 1.00 0.00 C ATOM 953 O ILE A 39 23.452 5.396 -12.129 1.00 0.00 O ATOM 954 CB ILE A 39 21.833 3.382 -13.551 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.165 2.006 -13.614 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.755 4.048 -14.925 1.00 0.00 C ATOM 957 CD1 ILE A 39 19.666 2.179 -13.865 1.00 0.00 C ATOM 0 H ILE A 39 22.679 2.668 -11.176 1.00 0.00 H new ATOM 0 HA ILE A 39 23.836 2.688 -13.932 1.00 0.00 H new ATOM 0 HB ILE A 39 21.321 4.004 -12.817 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.611 1.409 -14.409 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.329 1.467 -12.681 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.710 4.165 -15.214 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.232 5.027 -14.882 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.267 3.427 -15.660 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.189 1.200 -13.910 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.226 2.760 -13.054 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.513 2.701 -14.810 1.00 0.00 H new ATOM 958 N LEU A 40 24.998 4.914 -13.645 1.00 0.00 N ATOM 959 CA LEU A 40 25.646 6.257 -13.472 1.00 0.00 C ATOM 960 C LEU A 40 24.594 7.365 -13.642 1.00 0.00 C ATOM 961 O LEU A 40 24.270 8.078 -12.693 1.00 0.00 O ATOM 962 CB LEU A 40 26.755 6.453 -14.520 1.00 0.00 C ATOM 963 CG LEU A 40 28.125 6.241 -13.870 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.368 4.746 -13.665 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.215 6.814 -14.783 1.00 0.00 C ATOM 0 H LEU A 40 25.443 4.302 -14.329 1.00 0.00 H new ATOM 0 HA LEU A 40 26.081 6.308 -12.474 1.00 0.00 H new ATOM 0 HB2 LEU A 40 26.620 5.750 -15.342 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.694 7.455 -14.944 1.00 0.00 H new ATOM 0 HG LEU A 40 28.152 6.748 -12.906 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.343 4.596 -13.202 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.592 4.337 -13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.342 4.238 -14.629 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.191 6.664 -14.322 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.187 6.306 -15.747 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.043 7.880 -14.930 1.00 0.00 H new ATOM 966 N ASP A 41 24.058 7.530 -14.830 1.00 0.00 N ATOM 967 CA ASP A 41 23.036 8.600 -15.042 1.00 0.00 C ATOM 968 C ASP A 41 22.202 8.292 -16.297 1.00 0.00 C ATOM 969 O ASP A 41 22.727 7.806 -17.297 1.00 0.00 O ATOM 970 CB ASP A 41 23.741 9.946 -15.220 1.00 0.00 C ATOM 971 CG ASP A 41 22.707 11.072 -15.203 1.00 0.00 C ATOM 972 OD1 ASP A 41 22.056 11.268 -16.217 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.582 11.721 -14.178 1.00 0.00 O ATOM 0 H ASP A 41 24.284 6.973 -15.654 1.00 0.00 H new ATOM 0 HA ASP A 41 22.376 8.640 -14.176 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.469 10.095 -14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 41 24.292 9.958 -16.161 1.00 0.00 H new ATOM 974 N ILE A 42 20.915 8.564 -16.271 1.00 0.00 N ATOM 975 CA ILE A 42 20.071 8.283 -17.467 1.00 0.00 C ATOM 976 C ILE A 42 19.573 9.607 -18.064 1.00 0.00 C ATOM 977 O ILE A 42 19.259 10.547 -17.336 1.00 0.00 O ATOM 978 CB ILE A 42 18.875 7.424 -17.055 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.376 6.150 -16.372 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.059 7.052 -18.295 1.00 0.00 C ATOM 981 CD1 ILE A 42 18.187 5.359 -15.825 1.00 0.00 C ATOM 0 H ILE A 42 20.420 8.966 -15.475 1.00 0.00 H new ATOM 0 HA ILE A 42 20.661 7.749 -18.212 1.00 0.00 H new ATOM 0 HB ILE A 42 18.246 7.985 -16.364 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.935 5.541 -17.082 1.00 0.00 H new ATOM 0 HG13 ILE A 42 20.060 6.404 -15.562 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.207 6.440 -18.000 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.702 7.960 -18.782 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.686 6.491 -18.988 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.546 4.452 -15.339 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.646 5.969 -15.101 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.520 5.092 -16.644 1.00 0.00 H new ATOM 982 N LEU A 43 19.495 9.708 -19.375 1.00 0.00 N ATOM 983 CA LEU A 43 19.022 10.977 -19.996 1.00 0.00 C ATOM 984 C LEU A 43 17.780 10.700 -20.858 1.00 0.00 C ATOM 985 O LEU A 43 17.723 9.706 -21.583 1.00 0.00 O ATOM 986 CB LEU A 43 20.130 11.559 -20.876 1.00 0.00 C ATOM 987 CG LEU A 43 21.348 11.895 -20.012 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.331 10.723 -20.036 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.035 13.146 -20.564 1.00 0.00 C ATOM 0 H LEU A 43 19.739 8.967 -20.032 1.00 0.00 H new ATOM 0 HA LEU A 43 18.767 11.689 -19.211 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.407 10.844 -21.650 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.773 12.455 -21.383 1.00 0.00 H new ATOM 0 HG LEU A 43 21.026 12.078 -18.987 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.198 10.963 -19.421 1.00 0.00 H new ATOM 0 HD12 LEU A 43 21.843 9.831 -19.644 1.00 0.00 H new ATOM 0 HD13 LEU A 43 22.653 10.539 -21.061 1.00 0.00 H new ATOM 0 HD21 LEU A 43 22.902 13.386 -19.949 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.356 12.962 -21.589 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.336 13.982 -20.547 1.00 0.00 H new ATOM 990 N VAL A 44 16.783 11.560 -20.802 1.00 0.00 N ATOM 991 CA VAL A 44 15.559 11.342 -21.624 1.00 0.00 C ATOM 992 C VAL A 44 15.058 12.695 -22.157 1.00 0.00 C ATOM 993 O VAL A 44 14.763 13.605 -21.386 1.00 0.00 O ATOM 994 CB VAL A 44 14.463 10.692 -20.770 1.00 0.00 C ATOM 995 CG1 VAL A 44 14.862 9.255 -20.426 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.274 11.489 -19.477 1.00 0.00 C ATOM 0 H VAL A 44 16.771 12.399 -20.222 1.00 0.00 H new ATOM 0 HA VAL A 44 15.799 10.683 -22.458 1.00 0.00 H new ATOM 0 HB VAL A 44 13.529 10.686 -21.332 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.081 8.796 -19.819 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.991 8.683 -21.345 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.799 9.261 -19.868 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.495 11.024 -18.873 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.209 11.500 -18.917 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.984 12.511 -19.719 1.00 0.00 H new ATOM 997 N SER A 45 14.955 12.850 -23.460 1.00 0.00 N ATOM 998 CA SER A 45 14.475 14.147 -24.023 1.00 0.00 C ATOM 999 C SER A 45 13.469 13.868 -25.145 1.00 0.00 C ATOM 1000 O SER A 45 13.632 12.922 -25.915 1.00 0.00 O ATOM 1001 CB SER A 45 15.661 14.929 -24.587 1.00 0.00 C ATOM 1002 OG SER A 45 16.729 14.904 -23.650 1.00 0.00 O ATOM 0 H SER A 45 15.183 12.135 -24.151 1.00 0.00 H new ATOM 0 HA SER A 45 13.997 14.732 -23.237 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.982 14.493 -25.533 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.367 15.958 -24.794 1.00 0.00 H new ATOM 0 HG SER A 45 17.492 15.403 -24.010 1.00 0.00 H new ATOM 1003 N ARG A 46 12.429 14.667 -25.259 1.00 0.00 N ATOM 1004 CA ARG A 46 11.432 14.421 -26.340 1.00 0.00 C ATOM 1005 C ARG A 46 11.884 15.141 -27.621 1.00 0.00 C ATOM 1006 O ARG A 46 12.390 14.507 -28.540 1.00 0.00 O ATOM 1007 CB ARG A 46 10.048 14.924 -25.911 1.00 0.00 C ATOM 1008 CG ARG A 46 9.331 13.831 -25.115 1.00 0.00 C ATOM 1009 CD ARG A 46 8.162 14.444 -24.343 1.00 0.00 C ATOM 1010 NE ARG A 46 7.469 13.379 -23.563 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.182 13.208 -23.691 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.354 13.929 -22.985 1.00 0.00 N ATOM 1013 NH2 ARG A 46 5.723 12.316 -24.526 1.00 0.00 N ATOM 0 H ARG A 46 12.234 15.466 -24.656 1.00 0.00 H new ATOM 0 HA ARG A 46 11.365 13.350 -26.531 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.149 15.824 -25.304 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.460 15.195 -26.788 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.968 13.055 -25.789 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.026 13.354 -24.424 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.524 15.224 -23.673 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.464 14.916 -25.034 1.00 0.00 H new ATOM 0 HE ARG A 46 8.002 12.784 -22.929 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.713 14.626 -22.333 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.348 13.795 -23.085 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.370 11.753 -25.078 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.717 12.182 -24.627 1.00 0.00 H new ATOM 1014 N SER A 47 11.727 16.451 -27.706 1.00 0.00 N ATOM 1015 CA SER A 47 12.158 17.189 -28.940 1.00 0.00 C ATOM 1016 C SER A 47 11.613 16.480 -30.201 1.00 0.00 C ATOM 1017 O SER A 47 10.883 15.494 -30.101 1.00 0.00 O ATOM 1018 CB SER A 47 13.691 17.243 -28.987 1.00 0.00 C ATOM 1019 OG SER A 47 14.223 15.966 -28.655 1.00 0.00 O ATOM 0 H SER A 47 11.320 17.034 -26.975 1.00 0.00 H new ATOM 0 HA SER A 47 11.760 18.203 -28.913 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.024 17.540 -29.981 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.060 17.995 -28.289 1.00 0.00 H new ATOM 0 HG SER A 47 13.713 15.269 -29.118 1.00 0.00 H new ATOM 1020 N LEU A 48 11.932 16.957 -31.389 1.00 0.00 N ATOM 1021 CA LEU A 48 11.407 16.279 -32.618 1.00 0.00 C ATOM 1022 C LEU A 48 12.317 15.100 -32.996 1.00 0.00 C ATOM 1023 O LEU A 48 11.838 14.043 -33.405 1.00 0.00 O ATOM 1024 CB LEU A 48 11.364 17.262 -33.790 1.00 0.00 C ATOM 1025 CG LEU A 48 10.336 16.787 -34.823 1.00 0.00 C ATOM 1026 CD1 LEU A 48 9.609 17.996 -35.413 1.00 0.00 C ATOM 1027 CD2 LEU A 48 11.049 16.026 -35.943 1.00 0.00 C ATOM 0 H LEU A 48 12.523 17.772 -31.555 1.00 0.00 H new ATOM 0 HA LEU A 48 10.400 15.918 -32.407 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.102 18.258 -33.433 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.349 17.338 -34.251 1.00 0.00 H new ATOM 0 HG LEU A 48 9.615 16.129 -34.339 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.878 17.658 -36.148 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.099 18.538 -34.617 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.331 18.655 -35.896 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.317 15.689 -36.677 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.772 16.683 -36.427 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.567 15.163 -35.524 1.00 0.00 H new ATOM 1028 N LYS A 49 13.619 15.256 -32.885 1.00 0.00 N ATOM 1029 CA LYS A 49 14.538 14.132 -33.262 1.00 0.00 C ATOM 1030 C LYS A 49 14.511 13.038 -32.183 1.00 0.00 C ATOM 1031 O LYS A 49 14.570 11.850 -32.498 1.00 0.00 O ATOM 1032 CB LYS A 49 15.974 14.652 -33.418 1.00 0.00 C ATOM 1033 CG LYS A 49 16.064 15.529 -34.668 1.00 0.00 C ATOM 1034 CD LYS A 49 16.493 14.675 -35.862 1.00 0.00 C ATOM 1035 CE LYS A 49 17.297 15.533 -36.840 1.00 0.00 C ATOM 1036 NZ LYS A 49 18.601 15.903 -36.221 1.00 0.00 N ATOM 0 H LYS A 49 14.080 16.104 -32.553 1.00 0.00 H new ATOM 0 HA LYS A 49 14.199 13.714 -34.210 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.263 15.225 -32.537 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.669 13.816 -33.496 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.099 15.994 -34.869 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.780 16.335 -34.508 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.094 13.832 -35.522 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.616 14.261 -36.360 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.465 14.985 -37.767 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.737 16.432 -37.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.695 16.939 -36.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.641 15.535 -35.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.378 15.494 -36.778 1.00 0.00 H new ATOM 1037 N MET A 50 14.432 13.399 -30.922 1.00 0.00 N ATOM 1038 CA MET A 50 14.414 12.355 -29.850 1.00 0.00 C ATOM 1039 C MET A 50 12.962 12.047 -29.449 1.00 0.00 C ATOM 1040 O MET A 50 12.615 12.086 -28.268 1.00 0.00 O ATOM 1041 CB MET A 50 15.189 12.859 -28.627 1.00 0.00 C ATOM 1042 CG MET A 50 16.571 13.352 -29.060 1.00 0.00 C ATOM 1043 SD MET A 50 17.786 12.944 -27.784 1.00 0.00 S ATOM 1044 CE MET A 50 18.772 11.795 -28.774 1.00 0.00 C ATOM 0 H MET A 50 14.380 14.363 -30.593 1.00 0.00 H new ATOM 0 HA MET A 50 14.884 11.446 -30.226 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.639 13.666 -28.143 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.291 12.059 -27.894 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.853 12.890 -30.006 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.549 14.429 -29.225 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.812 11.834 -28.449 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.389 10.783 -28.645 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.710 12.075 -29.826 1.00 0.00 H new ATOM 1045 N ARG A 51 12.102 11.740 -30.398 1.00 0.00 N ATOM 1046 CA ARG A 51 10.686 11.437 -30.042 1.00 0.00 C ATOM 1047 C ARG A 51 10.475 9.913 -30.034 1.00 0.00 C ATOM 1048 O ARG A 51 9.530 9.405 -30.634 1.00 0.00 O ATOM 1049 CB ARG A 51 9.752 12.086 -31.070 1.00 0.00 C ATOM 1050 CG ARG A 51 8.575 12.751 -30.349 1.00 0.00 C ATOM 1051 CD ARG A 51 8.017 13.895 -31.204 1.00 0.00 C ATOM 1052 NE ARG A 51 7.836 15.106 -30.356 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.777 15.223 -29.600 1.00 0.00 C ATOM 1054 NH1 ARG A 51 6.574 14.380 -28.624 1.00 0.00 N ATOM 1055 NH2 ARG A 51 5.924 16.185 -29.819 1.00 0.00 N ATOM 0 H ARG A 51 12.323 11.688 -31.392 1.00 0.00 H new ATOM 0 HA ARG A 51 10.464 11.836 -29.052 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.298 12.826 -31.656 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.385 11.334 -31.769 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.794 12.016 -30.155 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.900 13.134 -29.381 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.697 14.113 -32.027 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.065 13.602 -31.646 1.00 0.00 H new ATOM 0 HE ARG A 51 8.539 15.845 -30.366 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.243 13.629 -28.451 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.747 14.472 -28.034 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.084 16.845 -30.580 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.097 16.277 -29.229 1.00 0.00 H new ATOM 1056 N GLY A 52 11.333 9.173 -29.364 1.00 0.00 N ATOM 1057 CA GLY A 52 11.167 7.687 -29.324 1.00 0.00 C ATOM 1058 C GLY A 52 12.529 7.017 -29.062 1.00 0.00 C ATOM 1059 O GLY A 52 12.989 6.197 -29.854 1.00 0.00 O ATOM 0 H GLY A 52 12.135 9.535 -28.848 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.460 7.412 -28.542 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.753 7.333 -30.268 1.00 0.00 H new ATOM 1060 N GLN A 53 13.185 7.351 -27.968 1.00 0.00 N ATOM 1061 CA GLN A 53 14.519 6.729 -27.679 1.00 0.00 C ATOM 1062 C GLN A 53 15.050 7.208 -26.310 1.00 0.00 C ATOM 1063 O GLN A 53 14.469 8.095 -25.684 1.00 0.00 O ATOM 1064 CB GLN A 53 15.507 7.140 -28.773 1.00 0.00 C ATOM 1065 CG GLN A 53 15.565 8.669 -28.871 1.00 0.00 C ATOM 1066 CD GLN A 53 15.593 9.089 -30.346 1.00 0.00 C ATOM 1067 OE1 GLN A 53 14.627 8.870 -31.072 1.00 0.00 O ATOM 1068 NE2 GLN A 53 16.652 9.686 -30.835 1.00 0.00 N ATOM 0 H GLN A 53 12.856 8.020 -27.272 1.00 0.00 H new ATOM 0 HA GLN A 53 14.410 5.645 -27.656 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.497 6.743 -28.550 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.202 6.716 -29.730 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.700 9.108 -28.374 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.452 9.043 -28.359 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.456 9.870 -30.235 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.672 9.967 -31.815 1.00 0.00 H new ATOM 1069 N ALA A 54 16.140 6.648 -25.829 1.00 0.00 N ATOM 1070 CA ALA A 54 16.679 7.095 -24.503 1.00 0.00 C ATOM 1071 C ALA A 54 18.172 6.743 -24.385 1.00 0.00 C ATOM 1072 O ALA A 54 18.743 6.111 -25.271 1.00 0.00 O ATOM 1073 CB ALA A 54 15.904 6.401 -23.382 1.00 0.00 C ATOM 0 H ALA A 54 16.672 5.911 -26.291 1.00 0.00 H new ATOM 0 HA ALA A 54 16.564 8.176 -24.421 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.293 6.724 -22.416 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.848 6.663 -23.453 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.017 5.321 -23.476 1.00 0.00 H new ATOM 1074 N PHE A 55 18.820 7.137 -23.306 1.00 0.00 N ATOM 1075 CA PHE A 55 20.270 6.815 -23.147 1.00 0.00 C ATOM 1076 C PHE A 55 20.527 6.301 -21.724 1.00 0.00 C ATOM 1077 O PHE A 55 19.896 6.754 -20.771 1.00 0.00 O ATOM 1078 CB PHE A 55 21.102 8.080 -23.371 1.00 0.00 C ATOM 1079 CG PHE A 55 20.908 8.577 -24.781 1.00 0.00 C ATOM 1080 CD1 PHE A 55 19.781 9.342 -25.106 1.00 0.00 C ATOM 1081 CD2 PHE A 55 21.859 8.280 -25.764 1.00 0.00 C ATOM 1082 CE1 PHE A 55 19.605 9.807 -26.414 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.683 8.745 -27.072 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.557 9.510 -27.397 1.00 0.00 C ATOM 0 H PHE A 55 18.405 7.664 -22.537 1.00 0.00 H new ATOM 0 HA PHE A 55 20.550 6.053 -23.874 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.806 8.851 -22.660 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.156 7.869 -23.192 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.048 9.573 -24.347 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.729 7.692 -25.513 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.735 10.395 -26.665 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.416 8.514 -27.831 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.422 9.871 -28.406 1.00 0.00 H new ATOM 1085 N VAL A 56 21.444 5.372 -21.546 1.00 0.00 N ATOM 1086 CA VAL A 56 21.723 4.865 -20.165 1.00 0.00 C ATOM 1087 C VAL A 56 23.227 4.604 -20.005 1.00 0.00 C ATOM 1088 O VAL A 56 23.805 3.802 -20.732 1.00 0.00 O ATOM 1089 CB VAL A 56 20.960 3.564 -19.919 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.149 3.131 -18.465 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.471 3.779 -20.197 1.00 0.00 C ATOM 0 H VAL A 56 22.002 4.950 -22.288 1.00 0.00 H new ATOM 0 HA VAL A 56 21.400 5.615 -19.443 1.00 0.00 H new ATOM 0 HB VAL A 56 21.343 2.790 -20.584 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.605 2.203 -18.288 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.209 2.974 -18.267 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.767 3.907 -17.802 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.930 2.849 -20.021 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.086 4.554 -19.535 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.335 4.087 -21.234 1.00 0.00 H new ATOM 1092 N ILE A 57 23.877 5.244 -19.057 1.00 0.00 N ATOM 1093 CA ILE A 57 25.332 5.002 -18.866 1.00 0.00 C ATOM 1094 C ILE A 57 25.511 4.028 -17.702 1.00 0.00 C ATOM 1095 O ILE A 57 24.991 4.259 -16.611 1.00 0.00 O ATOM 1096 CB ILE A 57 26.037 6.322 -18.548 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.719 7.343 -19.641 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.548 6.094 -18.491 1.00 0.00 C ATOM 1099 CD1 ILE A 57 26.109 8.742 -19.161 1.00 0.00 C ATOM 0 H ILE A 57 23.459 5.918 -18.415 1.00 0.00 H new ATOM 0 HA ILE A 57 25.764 4.583 -19.774 1.00 0.00 H new ATOM 0 HB ILE A 57 25.690 6.696 -17.585 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.261 7.096 -20.554 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.657 7.313 -19.884 1.00 0.00 H new ATOM 0 HG21 ILE A 57 28.050 7.035 -18.264 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.777 5.364 -17.714 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.896 5.720 -19.454 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.883 9.470 -19.940 1.00 0.00 H new ATOM 0 HD12 ILE A 57 25.547 8.987 -18.260 1.00 0.00 H new ATOM 0 HD13 ILE A 57 27.176 8.767 -18.941 1.00 0.00 H new ATOM 1100 N PHE A 58 26.221 2.941 -17.899 1.00 0.00 N ATOM 1101 CA PHE A 58 26.402 1.975 -16.785 1.00 0.00 C ATOM 1102 C PHE A 58 27.838 2.058 -16.272 1.00 0.00 C ATOM 1103 O PHE A 58 28.752 2.397 -17.020 1.00 0.00 O ATOM 1104 CB PHE A 58 26.135 0.556 -17.284 1.00 0.00 C ATOM 1105 CG PHE A 58 24.692 0.423 -17.703 1.00 0.00 C ATOM 1106 CD1 PHE A 58 24.262 0.976 -18.915 1.00 0.00 C ATOM 1107 CD2 PHE A 58 23.786 -0.258 -16.883 1.00 0.00 C ATOM 1108 CE1 PHE A 58 22.924 0.848 -19.304 1.00 0.00 C ATOM 1109 CE2 PHE A 58 22.449 -0.387 -17.272 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.018 0.167 -18.484 1.00 0.00 C ATOM 0 H PHE A 58 26.676 2.689 -18.776 1.00 0.00 H new ATOM 0 HA PHE A 58 25.705 2.218 -15.983 1.00 0.00 H new ATOM 0 HB2 PHE A 58 26.790 0.328 -18.125 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.363 -0.164 -16.498 1.00 0.00 H new ATOM 0 HD1 PHE A 58 24.962 1.501 -19.549 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.119 -0.685 -15.949 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.590 1.275 -20.238 1.00 0.00 H new ATOM 0 HE2 PHE A 58 21.750 -0.913 -16.639 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.986 0.068 -18.786 1.00 0.00 H new ATOM 1111 N LYS A 59 28.065 1.747 -15.012 1.00 0.00 N ATOM 1112 CA LYS A 59 29.465 1.802 -14.469 1.00 0.00 C ATOM 1113 C LYS A 59 30.406 1.036 -15.415 1.00 0.00 C ATOM 1114 O LYS A 59 30.327 -0.185 -15.528 1.00 0.00 O ATOM 1115 CB LYS A 59 29.524 1.163 -13.075 1.00 0.00 C ATOM 1116 CG LYS A 59 30.735 1.706 -12.316 1.00 0.00 C ATOM 1117 CD LYS A 59 30.801 1.062 -10.930 1.00 0.00 C ATOM 1118 CE LYS A 59 30.006 1.910 -9.935 1.00 0.00 C ATOM 1119 NZ LYS A 59 30.816 3.095 -9.534 1.00 0.00 N ATOM 0 H LYS A 59 27.350 1.461 -14.344 1.00 0.00 H new ATOM 0 HA LYS A 59 29.774 2.845 -14.395 1.00 0.00 H new ATOM 0 HB2 LYS A 59 28.609 1.381 -12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.593 0.079 -13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.649 1.495 -12.870 1.00 0.00 H new ATOM 0 HG3 LYS A 59 30.662 2.789 -12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 59 30.396 0.051 -10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 59 31.838 0.978 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 59 29.067 2.233 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 59 29.751 1.316 -9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 30.400 3.529 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 31.790 2.796 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.824 3.789 -10.309 1.00 0.00 H new ATOM 1120 N GLU A 60 31.277 1.733 -16.116 1.00 0.00 N ATOM 1121 CA GLU A 60 32.205 1.055 -17.074 1.00 0.00 C ATOM 1122 C GLU A 60 31.404 0.574 -18.294 1.00 0.00 C ATOM 1123 O GLU A 60 30.223 0.888 -18.436 1.00 0.00 O ATOM 1124 CB GLU A 60 32.910 -0.141 -16.411 1.00 0.00 C ATOM 1125 CG GLU A 60 33.450 0.270 -15.039 1.00 0.00 C ATOM 1126 CD GLU A 60 34.520 1.349 -15.212 1.00 0.00 C ATOM 1127 OE1 GLU A 60 34.153 2.482 -15.476 1.00 0.00 O ATOM 1128 OE2 GLU A 60 35.688 1.024 -15.077 1.00 0.00 O ATOM 0 H GLU A 60 31.382 2.746 -16.062 1.00 0.00 H new ATOM 0 HA GLU A 60 32.969 1.768 -17.384 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.213 -0.972 -16.303 1.00 0.00 H new ATOM 0 HB3 GLU A 60 33.726 -0.490 -17.044 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.639 0.645 -14.415 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.871 -0.596 -14.528 1.00 0.00 H new ATOM 1129 N VAL A 61 32.019 -0.168 -19.188 1.00 0.00 N ATOM 1130 CA VAL A 61 31.285 -0.644 -20.401 1.00 0.00 C ATOM 1131 C VAL A 61 30.718 -2.058 -20.179 1.00 0.00 C ATOM 1132 O VAL A 61 29.674 -2.399 -20.727 1.00 0.00 O ATOM 1133 CB VAL A 61 32.231 -0.675 -21.607 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.415 -0.878 -22.884 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.003 0.645 -21.706 1.00 0.00 C ATOM 0 H VAL A 61 32.994 -0.462 -19.128 1.00 0.00 H new ATOM 0 HA VAL A 61 30.462 0.046 -20.589 1.00 0.00 H new ATOM 0 HB VAL A 61 32.939 -1.494 -21.483 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.084 -0.901 -23.744 1.00 0.00 H new ATOM 0 HG12 VAL A 61 30.871 -1.821 -22.822 1.00 0.00 H new ATOM 0 HG13 VAL A 61 30.706 -0.058 -22.997 1.00 0.00 H new ATOM 0 HG21 VAL A 61 33.672 0.612 -22.566 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.300 1.470 -21.825 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.587 0.794 -20.798 1.00 0.00 H new ATOM 1136 N SER A 62 31.382 -2.896 -19.412 1.00 0.00 N ATOM 1137 CA SER A 62 30.854 -4.286 -19.198 1.00 0.00 C ATOM 1138 C SER A 62 29.447 -4.235 -18.580 1.00 0.00 C ATOM 1139 O SER A 62 28.587 -5.047 -18.916 1.00 0.00 O ATOM 1140 CB SER A 62 31.784 -5.070 -18.262 1.00 0.00 C ATOM 1141 OG SER A 62 31.462 -4.762 -16.913 1.00 0.00 O ATOM 0 H SER A 62 32.255 -2.682 -18.931 1.00 0.00 H new ATOM 0 HA SER A 62 30.807 -4.785 -20.166 1.00 0.00 H new ATOM 0 HB2 SER A 62 31.677 -6.140 -18.438 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.824 -4.815 -18.467 1.00 0.00 H new ATOM 0 HG SER A 62 32.053 -5.263 -16.313 1.00 0.00 H new ATOM 1142 N SER A 63 29.189 -3.314 -17.676 1.00 0.00 N ATOM 1143 CA SER A 63 27.826 -3.250 -17.046 1.00 0.00 C ATOM 1144 C SER A 63 26.747 -3.017 -18.121 1.00 0.00 C ATOM 1145 O SER A 63 25.644 -3.556 -18.026 1.00 0.00 O ATOM 1146 CB SER A 63 27.770 -2.115 -16.017 1.00 0.00 C ATOM 1147 OG SER A 63 26.455 -2.029 -15.483 1.00 0.00 O ATOM 0 H SER A 63 29.854 -2.612 -17.350 1.00 0.00 H new ATOM 0 HA SER A 63 27.636 -4.200 -16.547 1.00 0.00 H new ATOM 0 HB2 SER A 63 28.488 -2.298 -15.218 1.00 0.00 H new ATOM 0 HB3 SER A 63 28.047 -1.170 -16.485 1.00 0.00 H new ATOM 0 HG SER A 63 26.453 -1.419 -14.716 1.00 0.00 H new ATOM 1148 N ALA A 64 27.032 -2.241 -19.148 1.00 0.00 N ATOM 1149 CA ALA A 64 26.004 -2.009 -20.210 1.00 0.00 C ATOM 1150 C ALA A 64 25.868 -3.270 -21.076 1.00 0.00 C ATOM 1151 O ALA A 64 24.796 -3.543 -21.613 1.00 0.00 O ATOM 1152 CB ALA A 64 26.404 -0.824 -21.103 1.00 0.00 C ATOM 0 H ALA A 64 27.923 -1.765 -19.292 1.00 0.00 H new ATOM 0 HA ALA A 64 25.053 -1.782 -19.728 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.643 -0.672 -21.869 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.492 0.076 -20.495 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.361 -1.035 -21.580 1.00 0.00 H new ATOM 1153 N THR A 65 26.921 -4.046 -21.231 1.00 0.00 N ATOM 1154 CA THR A 65 26.811 -5.275 -22.070 1.00 0.00 C ATOM 1155 C THR A 65 25.786 -6.231 -21.441 1.00 0.00 C ATOM 1156 O THR A 65 24.991 -6.852 -22.145 1.00 0.00 O ATOM 1157 CB THR A 65 28.173 -5.986 -22.175 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.218 -5.021 -22.349 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.153 -6.963 -23.357 1.00 0.00 C ATOM 0 H THR A 65 27.838 -3.879 -20.816 1.00 0.00 H new ATOM 0 HA THR A 65 26.489 -4.987 -23.071 1.00 0.00 H new ATOM 0 HB THR A 65 28.361 -6.541 -21.256 1.00 0.00 H new ATOM 0 HG1 THR A 65 30.081 -5.481 -22.413 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.118 -7.465 -23.430 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.369 -7.704 -23.203 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.959 -6.415 -24.279 1.00 0.00 H new ATOM 1160 N ASN A 66 25.777 -6.365 -20.129 1.00 0.00 N ATOM 1161 CA ASN A 66 24.786 -7.286 -19.486 1.00 0.00 C ATOM 1162 C ASN A 66 23.379 -6.674 -19.593 1.00 0.00 C ATOM 1163 O ASN A 66 22.406 -7.384 -19.834 1.00 0.00 O ATOM 1164 CB ASN A 66 25.141 -7.507 -18.003 1.00 0.00 C ATOM 1165 CG ASN A 66 25.354 -9.005 -17.737 1.00 0.00 C ATOM 1166 OD1 ASN A 66 26.123 -9.708 -18.532 1.00 0.00 O flip ATOM 1167 ND2 ASN A 66 24.807 -9.549 -16.780 1.00 0.00 N flip ATOM 0 H ASN A 66 26.405 -5.882 -19.487 1.00 0.00 H new ATOM 0 HA ASN A 66 24.811 -8.248 -19.999 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.044 -6.951 -17.749 1.00 0.00 H new ATOM 0 HB3 ASN A 66 24.342 -7.125 -17.367 1.00 0.00 H new ATOM 0 HD21 ASN A 66 24.208 -9.006 -16.159 1.00 0.00 H new ATOM 0 HD22 ASN A 66 24.952 -10.544 -16.607 1.00 0.00 H new ATOM 1168 N ALA A 67 23.244 -5.374 -19.423 1.00 0.00 N ATOM 1169 CA ALA A 67 21.881 -4.749 -19.528 1.00 0.00 C ATOM 1170 C ALA A 67 21.332 -4.856 -20.970 1.00 0.00 C ATOM 1171 O ALA A 67 20.128 -4.717 -21.183 1.00 0.00 O ATOM 1172 CB ALA A 67 21.944 -3.268 -19.128 1.00 0.00 C ATOM 0 H ALA A 67 24.007 -4.728 -19.219 1.00 0.00 H new ATOM 0 HA ALA A 67 21.216 -5.287 -18.853 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.951 -2.827 -19.208 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.297 -3.183 -18.100 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.630 -2.741 -19.791 1.00 0.00 H new ATOM 1173 N LEU A 68 22.167 -5.087 -21.969 1.00 0.00 N ATOM 1174 CA LEU A 68 21.643 -5.179 -23.370 1.00 0.00 C ATOM 1175 C LEU A 68 21.180 -6.616 -23.666 1.00 0.00 C ATOM 1176 O LEU A 68 20.039 -6.840 -24.062 1.00 0.00 O ATOM 1177 CB LEU A 68 22.748 -4.793 -24.362 1.00 0.00 C ATOM 1178 CG LEU A 68 22.122 -4.336 -25.685 1.00 0.00 C ATOM 1179 CD1 LEU A 68 22.081 -2.808 -25.732 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.963 -4.857 -26.854 1.00 0.00 C ATOM 0 H LEU A 68 23.174 -5.213 -21.871 1.00 0.00 H new ATOM 0 HA LEU A 68 20.799 -4.497 -23.475 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.361 -3.995 -23.944 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.407 -5.644 -24.536 1.00 0.00 H new ATOM 0 HG LEU A 68 21.108 -4.729 -25.760 1.00 0.00 H new ATOM 0 HD11 LEU A 68 21.636 -2.485 -26.673 1.00 0.00 H new ATOM 0 HD12 LEU A 68 21.483 -2.434 -24.901 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.095 -2.414 -25.656 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.519 -4.533 -27.795 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.977 -4.464 -26.777 1.00 0.00 H new ATOM 0 HD23 LEU A 68 22.993 -5.946 -26.824 1.00 0.00 H new ATOM 1181 N ARG A 69 22.043 -7.595 -23.496 1.00 0.00 N ATOM 1182 CA ARG A 69 21.635 -9.012 -23.788 1.00 0.00 C ATOM 1183 C ARG A 69 20.356 -9.373 -23.013 1.00 0.00 C ATOM 1184 O ARG A 69 19.504 -10.104 -23.515 1.00 0.00 O ATOM 1185 CB ARG A 69 22.757 -9.980 -23.388 1.00 0.00 C ATOM 1186 CG ARG A 69 24.004 -9.694 -24.230 1.00 0.00 C ATOM 1187 CD ARG A 69 25.257 -9.843 -23.366 1.00 0.00 C ATOM 1188 NE ARG A 69 25.659 -11.278 -23.316 1.00 0.00 N ATOM 1189 CZ ARG A 69 26.560 -11.732 -24.145 1.00 0.00 C ATOM 1190 NH1 ARG A 69 26.242 -11.967 -25.389 1.00 0.00 N ATOM 1191 NH2 ARG A 69 27.776 -11.954 -23.729 1.00 0.00 N ATOM 0 H ARG A 69 23.003 -7.477 -23.171 1.00 0.00 H new ATOM 0 HA ARG A 69 21.444 -9.098 -24.858 1.00 0.00 H new ATOM 0 HB2 ARG A 69 22.987 -9.868 -22.328 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.433 -11.010 -23.537 1.00 0.00 H new ATOM 0 HG2 ARG A 69 24.049 -10.382 -25.075 1.00 0.00 H new ATOM 0 HG3 ARG A 69 23.953 -8.686 -24.642 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.068 -9.241 -23.776 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.063 -9.473 -22.359 1.00 0.00 H new ATOM 0 HE ARG A 69 25.230 -11.905 -22.635 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.290 -11.796 -25.713 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.945 -12.322 -26.037 1.00 0.00 H new ATOM 0 HH21 ARG A 69 28.023 -11.773 -22.756 1.00 0.00 H new ATOM 0 HH22 ARG A 69 28.480 -12.309 -24.377 1.00 0.00 H new ATOM 1192 N SER A 70 20.199 -8.887 -21.802 1.00 0.00 N ATOM 1193 CA SER A 70 18.967 -9.224 -21.018 1.00 0.00 C ATOM 1194 C SER A 70 17.771 -8.396 -21.521 1.00 0.00 C ATOM 1195 O SER A 70 16.636 -8.871 -21.511 1.00 0.00 O ATOM 1196 CB SER A 70 19.191 -8.931 -19.529 1.00 0.00 C ATOM 1197 OG SER A 70 17.941 -8.656 -18.912 1.00 0.00 O ATOM 0 H SER A 70 20.865 -8.277 -21.327 1.00 0.00 H new ATOM 0 HA SER A 70 18.755 -10.285 -21.152 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.668 -9.784 -19.046 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.863 -8.081 -19.411 1.00 0.00 H new ATOM 0 HG SER A 70 18.080 -8.470 -17.960 1.00 0.00 H new ATOM 1198 N MET A 71 17.986 -7.170 -21.956 1.00 0.00 N ATOM 1199 CA MET A 71 16.842 -6.344 -22.443 1.00 0.00 C ATOM 1200 C MET A 71 16.826 -6.317 -23.981 1.00 0.00 C ATOM 1201 O MET A 71 16.466 -5.306 -24.583 1.00 0.00 O ATOM 1202 CB MET A 71 16.986 -4.917 -21.912 1.00 0.00 C ATOM 1203 CG MET A 71 16.902 -4.928 -20.384 1.00 0.00 C ATOM 1204 SD MET A 71 16.176 -3.374 -19.808 1.00 0.00 S ATOM 1205 CE MET A 71 14.455 -3.931 -19.759 1.00 0.00 C ATOM 0 H MET A 71 18.898 -6.715 -21.992 1.00 0.00 H new ATOM 0 HA MET A 71 15.909 -6.780 -22.085 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.938 -4.494 -22.231 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.201 -4.283 -22.325 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.297 -5.771 -20.049 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.896 -5.058 -19.956 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.858 -3.328 -20.443 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.403 -4.978 -20.058 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.066 -3.823 -18.746 1.00 0.00 H new ATOM 1206 N GLN A 72 17.197 -7.398 -24.636 1.00 0.00 N ATOM 1207 CA GLN A 72 17.179 -7.396 -26.135 1.00 0.00 C ATOM 1208 C GLN A 72 15.722 -7.455 -26.616 1.00 0.00 C ATOM 1209 O GLN A 72 15.054 -8.477 -26.467 1.00 0.00 O ATOM 1210 CB GLN A 72 17.948 -8.607 -26.681 1.00 0.00 C ATOM 1211 CG GLN A 72 19.380 -8.192 -27.026 1.00 0.00 C ATOM 1212 CD GLN A 72 19.435 -7.701 -28.478 1.00 0.00 C ATOM 1213 OE1 GLN A 72 18.697 -8.193 -29.329 1.00 0.00 O ATOM 1214 NE2 GLN A 72 20.272 -6.750 -28.814 1.00 0.00 N ATOM 0 H GLN A 72 17.507 -8.268 -24.203 1.00 0.00 H new ATOM 0 HA GLN A 72 17.657 -6.486 -26.498 1.00 0.00 H new ATOM 0 HB2 GLN A 72 17.959 -9.408 -25.941 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.448 -8.999 -27.567 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.714 -7.404 -26.351 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.057 -9.035 -26.890 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.886 -6.339 -28.111 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.309 -6.421 -29.779 1.00 0.00 H new ATOM 1215 N GLY A 73 15.208 -6.384 -27.183 1.00 0.00 N ATOM 1216 CA GLY A 73 13.793 -6.401 -27.656 1.00 0.00 C ATOM 1217 C GLY A 73 12.864 -6.634 -26.455 1.00 0.00 C ATOM 1218 O GLY A 73 12.200 -7.666 -26.364 1.00 0.00 O ATOM 0 H GLY A 73 15.708 -5.508 -27.335 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.548 -5.457 -28.143 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.654 -7.188 -28.397 1.00 0.00 H new ATOM 1219 N PHE A 74 12.807 -5.704 -25.526 1.00 0.00 N ATOM 1220 CA PHE A 74 11.925 -5.892 -24.338 1.00 0.00 C ATOM 1221 C PHE A 74 10.675 -5.000 -24.473 1.00 0.00 C ATOM 1222 O PHE A 74 10.733 -3.958 -25.127 1.00 0.00 O ATOM 1223 CB PHE A 74 12.698 -5.506 -23.071 1.00 0.00 C ATOM 1224 CG PHE A 74 12.511 -6.568 -22.012 1.00 0.00 C ATOM 1225 CD1 PHE A 74 12.774 -7.910 -22.312 1.00 0.00 C ATOM 1226 CD2 PHE A 74 12.076 -6.209 -20.730 1.00 0.00 C ATOM 1227 CE1 PHE A 74 12.600 -8.893 -21.330 1.00 0.00 C ATOM 1228 CE2 PHE A 74 11.904 -7.193 -19.748 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.166 -8.535 -20.049 1.00 0.00 C ATOM 0 H PHE A 74 13.332 -4.830 -25.544 1.00 0.00 H new ATOM 0 HA PHE A 74 11.615 -6.935 -24.275 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.757 -5.392 -23.301 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.347 -4.543 -22.699 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.111 -8.187 -23.300 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.873 -5.174 -20.499 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.801 -9.929 -21.562 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.569 -6.917 -18.759 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.033 -9.294 -19.292 1.00 0.00 H new ATOM 1230 N PRO A 75 9.573 -5.414 -23.862 1.00 0.00 N ATOM 1231 CA PRO A 75 8.317 -4.645 -23.916 1.00 0.00 C ATOM 1232 C PRO A 75 8.346 -3.500 -22.888 1.00 0.00 C ATOM 1233 O PRO A 75 8.205 -3.727 -21.688 1.00 0.00 O ATOM 1234 CB PRO A 75 7.246 -5.675 -23.544 1.00 0.00 C ATOM 1235 CG PRO A 75 7.967 -6.790 -22.751 1.00 0.00 C ATOM 1236 CD PRO A 75 9.466 -6.670 -23.079 1.00 0.00 C ATOM 0 HA PRO A 75 8.141 -4.183 -24.888 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.460 -5.218 -22.943 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.770 -6.080 -24.437 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.795 -6.676 -21.681 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.587 -7.772 -23.032 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.069 -6.625 -22.172 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.817 -7.527 -23.653 1.00 0.00 H new ATOM 1237 N PHE A 76 8.516 -2.273 -23.330 1.00 0.00 N ATOM 1238 CA PHE A 76 8.543 -1.130 -22.380 1.00 0.00 C ATOM 1239 C PHE A 76 7.349 -0.217 -22.681 1.00 0.00 C ATOM 1240 O PHE A 76 7.177 0.234 -23.812 1.00 0.00 O ATOM 1241 CB PHE A 76 9.849 -0.348 -22.561 1.00 0.00 C ATOM 1242 CG PHE A 76 10.443 -0.024 -21.212 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.725 -1.054 -20.307 1.00 0.00 C ATOM 1244 CD2 PHE A 76 10.713 1.305 -20.868 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.278 -0.754 -19.058 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.266 1.605 -19.617 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.549 0.576 -18.713 1.00 0.00 C ATOM 0 H PHE A 76 8.637 -2.022 -24.311 1.00 0.00 H new ATOM 0 HA PHE A 76 8.484 -1.493 -21.354 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.556 -0.934 -23.148 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.659 0.571 -23.115 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.516 -2.080 -20.573 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.495 2.099 -21.567 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.496 -1.548 -18.359 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.474 2.631 -19.350 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.977 0.807 -17.749 1.00 0.00 H new ATOM 1248 N TYR A 77 6.512 0.060 -21.706 1.00 0.00 N ATOM 1249 CA TYR A 77 5.334 0.938 -21.967 1.00 0.00 C ATOM 1250 C TYR A 77 4.481 0.340 -23.101 1.00 0.00 C ATOM 1251 O TYR A 77 3.941 1.066 -23.933 1.00 0.00 O ATOM 1252 CB TYR A 77 5.822 2.330 -22.365 1.00 0.00 C ATOM 1253 CG TYR A 77 6.423 3.001 -21.156 1.00 0.00 C ATOM 1254 CD1 TYR A 77 7.747 2.734 -20.791 1.00 0.00 C ATOM 1255 CD2 TYR A 77 5.655 3.892 -20.402 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.303 3.358 -19.669 1.00 0.00 C ATOM 1257 CE2 TYR A 77 6.209 4.520 -19.280 1.00 0.00 C ATOM 1258 CZ TYR A 77 7.533 4.251 -18.913 1.00 0.00 C ATOM 1259 OH TYR A 77 8.082 4.869 -17.810 1.00 0.00 O ATOM 0 H TYR A 77 6.596 -0.283 -20.749 1.00 0.00 H new ATOM 0 HA TYR A 77 4.725 1.010 -21.066 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.562 2.256 -23.162 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.994 2.923 -22.753 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.340 2.046 -21.375 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.633 4.096 -20.685 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.325 3.151 -19.386 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.616 5.211 -18.699 1.00 0.00 H new ATOM 0 HH TYR A 77 7.391 4.992 -17.126 1.00 0.00 H new ATOM 1260 N ASP A 78 4.339 -0.970 -23.151 1.00 0.00 N ATOM 1261 CA ASP A 78 3.514 -1.598 -24.226 1.00 0.00 C ATOM 1262 C ASP A 78 4.105 -1.278 -25.610 1.00 0.00 C ATOM 1263 O ASP A 78 3.462 -0.625 -26.432 1.00 0.00 O ATOM 1264 CB ASP A 78 2.080 -1.064 -24.144 1.00 0.00 C ATOM 1265 CG ASP A 78 1.147 -1.983 -24.935 1.00 0.00 C ATOM 1266 OD1 ASP A 78 0.696 -2.966 -24.369 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.898 -1.688 -26.092 1.00 0.00 O ATOM 0 H ASP A 78 4.761 -1.625 -22.492 1.00 0.00 H new ATOM 0 HA ASP A 78 3.513 -2.679 -24.086 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.759 -1.011 -23.104 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.035 -0.051 -24.544 1.00 0.00 H new ATOM 1268 N LYS A 79 5.309 -1.730 -25.900 1.00 0.00 N ATOM 1269 CA LYS A 79 5.901 -1.442 -27.247 1.00 0.00 C ATOM 1270 C LYS A 79 7.202 -2.256 -27.438 1.00 0.00 C ATOM 1271 O LYS A 79 7.958 -2.420 -26.491 1.00 0.00 O ATOM 1272 CB LYS A 79 6.217 0.058 -27.349 1.00 0.00 C ATOM 1273 CG LYS A 79 5.570 0.645 -28.610 1.00 0.00 C ATOM 1274 CD LYS A 79 6.523 1.655 -29.256 1.00 0.00 C ATOM 1275 CE LYS A 79 6.205 1.776 -30.746 1.00 0.00 C ATOM 1276 NZ LYS A 79 5.114 2.772 -30.943 1.00 0.00 N ATOM 0 H LYS A 79 5.897 -2.277 -25.271 1.00 0.00 H new ATOM 0 HA LYS A 79 5.188 -1.724 -28.022 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.847 0.577 -26.465 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.296 0.210 -27.379 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.337 -0.152 -29.316 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.628 1.131 -28.355 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.423 2.626 -28.772 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.556 1.335 -29.119 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.095 2.083 -31.295 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.903 0.807 -31.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.898 2.854 -31.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.263 2.461 -30.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.418 3.697 -30.578 1.00 0.00 H new ATOM 1277 N PRO A 80 7.454 -2.744 -28.641 1.00 0.00 N ATOM 1278 CA PRO A 80 8.674 -3.525 -28.913 1.00 0.00 C ATOM 1279 C PRO A 80 9.870 -2.574 -29.074 1.00 0.00 C ATOM 1280 O PRO A 80 9.939 -1.816 -30.041 1.00 0.00 O ATOM 1281 CB PRO A 80 8.363 -4.245 -30.227 1.00 0.00 C ATOM 1282 CG PRO A 80 7.251 -3.424 -30.922 1.00 0.00 C ATOM 1283 CD PRO A 80 6.576 -2.577 -29.827 1.00 0.00 C ATOM 0 HA PRO A 80 8.933 -4.220 -28.115 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.251 -4.306 -30.856 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.033 -5.267 -30.041 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.670 -2.787 -31.701 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.528 -4.082 -31.403 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.502 -1.531 -30.123 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.563 -2.924 -29.624 1.00 0.00 H new ATOM 1284 N MET A 81 10.808 -2.581 -28.149 1.00 0.00 N ATOM 1285 CA MET A 81 11.972 -1.655 -28.280 1.00 0.00 C ATOM 1286 C MET A 81 13.293 -2.436 -28.206 1.00 0.00 C ATOM 1287 O MET A 81 13.446 -3.351 -27.400 1.00 0.00 O ATOM 1288 CB MET A 81 11.928 -0.617 -27.154 1.00 0.00 C ATOM 1289 CG MET A 81 11.820 -1.321 -25.799 1.00 0.00 C ATOM 1290 SD MET A 81 12.740 -0.378 -24.556 1.00 0.00 S ATOM 1291 CE MET A 81 13.817 -1.722 -24.000 1.00 0.00 C ATOM 0 H MET A 81 10.814 -3.180 -27.323 1.00 0.00 H new ATOM 0 HA MET A 81 11.915 -1.154 -29.247 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.826 0.001 -27.182 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.078 0.050 -27.296 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.774 -1.408 -25.505 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.217 -2.334 -25.870 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.517 -1.343 -23.256 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.212 -2.514 -23.559 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.371 -2.120 -24.850 1.00 0.00 H new ATOM 1292 N ARG A 82 14.258 -2.085 -29.029 1.00 0.00 N ATOM 1293 CA ARG A 82 15.568 -2.794 -28.997 1.00 0.00 C ATOM 1294 C ARG A 82 16.665 -1.782 -28.647 1.00 0.00 C ATOM 1295 O ARG A 82 16.569 -0.609 -29.006 1.00 0.00 O ATOM 1296 CB ARG A 82 15.855 -3.406 -30.370 1.00 0.00 C ATOM 1297 CG ARG A 82 14.902 -4.578 -30.616 1.00 0.00 C ATOM 1298 CD ARG A 82 15.009 -5.023 -32.076 1.00 0.00 C ATOM 1299 NE ARG A 82 14.042 -4.248 -32.903 1.00 0.00 N ATOM 1300 CZ ARG A 82 14.479 -3.431 -33.821 1.00 0.00 C ATOM 1301 NH1 ARG A 82 15.307 -3.859 -34.735 1.00 0.00 N ATOM 1302 NH2 ARG A 82 14.088 -2.185 -33.827 1.00 0.00 N ATOM 0 H ARG A 82 14.188 -1.337 -29.719 1.00 0.00 H new ATOM 0 HA ARG A 82 15.542 -3.589 -28.252 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.731 -2.653 -31.149 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.889 -3.748 -30.419 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.149 -5.407 -29.953 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.878 -4.282 -30.389 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.024 -4.867 -32.442 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.801 -6.090 -32.158 1.00 0.00 H new ATOM 0 HE ARG A 82 13.039 -4.356 -32.751 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.612 -4.832 -34.731 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.649 -3.220 -35.453 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.441 -1.850 -33.113 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.430 -1.547 -34.545 1.00 0.00 H new ATOM 1303 N ILE A 83 17.698 -2.193 -27.946 1.00 0.00 N ATOM 1304 CA ILE A 83 18.772 -1.222 -27.582 1.00 0.00 C ATOM 1305 C ILE A 83 20.037 -1.493 -28.409 1.00 0.00 C ATOM 1306 O ILE A 83 20.409 -2.642 -28.641 1.00 0.00 O ATOM 1307 CB ILE A 83 19.114 -1.346 -26.094 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.827 -1.351 -25.260 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.983 -0.160 -25.677 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.456 -2.792 -24.916 1.00 0.00 C ATOM 0 H ILE A 83 17.840 -3.148 -27.616 1.00 0.00 H new ATOM 0 HA ILE A 83 18.409 -0.216 -27.791 1.00 0.00 H new ATOM 0 HB ILE A 83 19.653 -2.278 -25.925 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.969 -0.772 -24.348 1.00 0.00 H new ATOM 0 HG13 ILE A 83 17.018 -0.877 -25.816 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.229 -0.244 -24.618 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.901 -0.158 -26.264 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.439 0.768 -25.851 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.541 -2.801 -24.323 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.298 -3.356 -25.835 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.264 -3.249 -24.344 1.00 0.00 H new ATOM 1311 N GLN A 84 20.715 -0.455 -28.844 1.00 0.00 N ATOM 1312 CA GLN A 84 21.961 -0.646 -29.638 1.00 0.00 C ATOM 1313 C GLN A 84 23.051 0.249 -29.035 1.00 0.00 C ATOM 1314 O GLN A 84 22.798 1.413 -28.736 1.00 0.00 O ATOM 1315 CB GLN A 84 21.728 -0.234 -31.096 1.00 0.00 C ATOM 1316 CG GLN A 84 20.479 -0.926 -31.654 1.00 0.00 C ATOM 1317 CD GLN A 84 19.745 0.035 -32.599 1.00 0.00 C ATOM 1318 OE1 GLN A 84 19.523 -0.289 -33.764 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.352 1.209 -32.165 1.00 0.00 N ATOM 0 H GLN A 84 20.454 0.517 -28.680 1.00 0.00 H new ATOM 0 HA GLN A 84 22.258 -1.694 -29.611 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.612 0.848 -31.161 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.597 -0.498 -31.698 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.760 -1.834 -32.187 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.821 -1.226 -30.839 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.534 1.483 -31.199 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.865 1.848 -32.793 1.00 0.00 H new ATOM 1320 N TYR A 85 24.255 -0.253 -28.841 1.00 0.00 N ATOM 1321 CA TYR A 85 25.334 0.609 -28.242 1.00 0.00 C ATOM 1322 C TYR A 85 25.412 1.953 -28.995 1.00 0.00 C ATOM 1323 O TYR A 85 25.612 1.984 -30.207 1.00 0.00 O ATOM 1324 CB TYR A 85 26.698 -0.094 -28.328 1.00 0.00 C ATOM 1325 CG TYR A 85 26.701 -1.346 -27.474 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.177 -1.328 -26.170 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.239 -2.532 -27.990 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.192 -2.493 -25.394 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.252 -3.695 -27.213 1.00 0.00 C ATOM 1330 CZ TYR A 85 26.730 -3.675 -25.915 1.00 0.00 C ATOM 1331 OH TYR A 85 26.745 -4.824 -25.152 1.00 0.00 O ATOM 0 H TYR A 85 24.534 -1.208 -29.068 1.00 0.00 H new ATOM 0 HA TYR A 85 25.088 0.785 -27.195 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.917 -0.352 -29.364 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.485 0.583 -27.995 1.00 0.00 H new ATOM 0 HD1 TYR A 85 25.763 -0.416 -25.767 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.645 -2.548 -28.991 1.00 0.00 H new ATOM 0 HE1 TYR A 85 25.788 -2.479 -24.392 1.00 0.00 H new ATOM 0 HE2 TYR A 85 27.665 -4.608 -27.615 1.00 0.00 H new ATOM 0 HH TYR A 85 26.372 -5.566 -25.671 1.00 0.00 H new ATOM 1332 N ALA A 86 25.246 3.065 -28.300 1.00 0.00 N ATOM 1333 CA ALA A 86 25.299 4.407 -28.979 1.00 0.00 C ATOM 1334 C ALA A 86 26.518 4.488 -29.916 1.00 0.00 C ATOM 1335 O ALA A 86 27.420 3.654 -29.848 1.00 0.00 O ATOM 1336 CB ALA A 86 25.404 5.526 -27.933 1.00 0.00 C ATOM 0 H ALA A 86 25.077 3.098 -27.295 1.00 0.00 H new ATOM 0 HA ALA A 86 24.385 4.529 -29.560 1.00 0.00 H new ATOM 0 HB1 ALA A 86 25.442 6.492 -28.436 1.00 0.00 H new ATOM 0 HB2 ALA A 86 24.535 5.493 -27.276 1.00 0.00 H new ATOM 0 HB3 ALA A 86 26.310 5.389 -27.343 1.00 0.00 H new ATOM 1337 N LYS A 87 26.569 5.472 -30.789 1.00 0.00 N ATOM 1338 CA LYS A 87 27.741 5.580 -31.717 1.00 0.00 C ATOM 1339 C LYS A 87 28.989 5.972 -30.912 1.00 0.00 C ATOM 1340 O LYS A 87 30.022 5.309 -30.991 1.00 0.00 O ATOM 1341 CB LYS A 87 27.477 6.644 -32.792 1.00 0.00 C ATOM 1342 CG LYS A 87 26.315 6.196 -33.682 1.00 0.00 C ATOM 1343 CD LYS A 87 25.838 7.375 -34.531 1.00 0.00 C ATOM 1344 CE LYS A 87 24.580 6.975 -35.306 1.00 0.00 C ATOM 1345 NZ LYS A 87 24.587 7.639 -36.641 1.00 0.00 N ATOM 0 H LYS A 87 25.858 6.195 -30.897 1.00 0.00 H new ATOM 0 HA LYS A 87 27.896 4.617 -32.204 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.242 7.599 -32.323 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.372 6.797 -33.395 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.632 5.375 -34.326 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.496 5.822 -33.068 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.627 8.233 -33.893 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.623 7.678 -35.224 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.543 5.892 -35.427 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.689 7.264 -34.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.733 7.368 -37.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 24.603 8.671 -36.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 25.430 7.342 -37.172 1.00 0.00 H new ATOM 1346 N THR A 88 28.921 7.034 -30.138 1.00 0.00 N ATOM 1347 CA THR A 88 30.106 7.449 -29.339 1.00 0.00 C ATOM 1348 C THR A 88 29.879 7.082 -27.865 1.00 0.00 C ATOM 1349 O THR A 88 28.832 6.543 -27.507 1.00 0.00 O ATOM 1350 CB THR A 88 30.300 8.961 -29.466 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.046 9.611 -29.312 1.00 0.00 O ATOM 1352 CG2 THR A 88 30.879 9.288 -30.843 1.00 0.00 C ATOM 0 H THR A 88 28.096 7.624 -30.030 1.00 0.00 H new ATOM 0 HA THR A 88 30.995 6.937 -29.709 1.00 0.00 H new ATOM 0 HB THR A 88 30.987 9.306 -28.694 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.168 10.580 -29.391 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.017 10.365 -30.933 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.840 8.788 -30.962 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.193 8.944 -31.617 1.00 0.00 H new ATOM 1353 N ASP A 89 30.828 7.364 -26.998 1.00 0.00 N ATOM 1354 CA ASP A 89 30.636 7.024 -25.554 1.00 0.00 C ATOM 1355 C ASP A 89 29.905 8.179 -24.857 1.00 0.00 C ATOM 1356 O ASP A 89 29.481 9.133 -25.505 1.00 0.00 O ATOM 1357 CB ASP A 89 31.993 6.797 -24.879 1.00 0.00 C ATOM 1358 CG ASP A 89 32.825 5.825 -25.718 1.00 0.00 C ATOM 1359 OD1 ASP A 89 32.363 4.717 -25.936 1.00 0.00 O ATOM 1360 OD2 ASP A 89 33.908 6.207 -26.130 1.00 0.00 O ATOM 0 H ASP A 89 31.716 7.810 -27.228 1.00 0.00 H new ATOM 0 HA ASP A 89 30.046 6.111 -25.476 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.521 7.745 -24.772 1.00 0.00 H new ATOM 0 HB3 ASP A 89 31.849 6.397 -23.875 1.00 0.00 H new ATOM 1361 N SER A 90 29.747 8.120 -23.552 1.00 0.00 N ATOM 1362 CA SER A 90 29.041 9.229 -22.841 1.00 0.00 C ATOM 1363 C SER A 90 30.067 10.276 -22.386 1.00 0.00 C ATOM 1364 O SER A 90 31.258 9.986 -22.287 1.00 0.00 O ATOM 1365 CB SER A 90 28.295 8.675 -21.623 1.00 0.00 C ATOM 1366 OG SER A 90 26.907 8.598 -21.920 1.00 0.00 O ATOM 0 H SER A 90 30.074 7.358 -22.957 1.00 0.00 H new ATOM 0 HA SER A 90 28.323 9.692 -23.518 1.00 0.00 H new ATOM 0 HB2 SER A 90 28.679 7.688 -21.364 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.459 9.318 -20.758 1.00 0.00 H new ATOM 0 HG SER A 90 26.708 7.730 -22.330 1.00 0.00 H new ATOM 1367 N ASP A 91 29.637 11.488 -22.109 1.00 0.00 N ATOM 1368 CA ASP A 91 30.606 12.532 -21.665 1.00 0.00 C ATOM 1369 C ASP A 91 30.647 12.634 -20.126 1.00 0.00 C ATOM 1370 O ASP A 91 31.098 13.646 -19.589 1.00 0.00 O ATOM 1371 CB ASP A 91 30.191 13.887 -22.247 1.00 0.00 C ATOM 1372 CG ASP A 91 31.285 14.920 -21.967 1.00 0.00 C ATOM 1373 OD1 ASP A 91 32.262 14.932 -22.697 1.00 0.00 O ATOM 1374 OD2 ASP A 91 31.124 15.683 -21.028 1.00 0.00 O ATOM 0 H ASP A 91 28.665 11.792 -22.172 1.00 0.00 H new ATOM 0 HA ASP A 91 31.598 12.254 -22.020 1.00 0.00 H new ATOM 0 HB2 ASP A 91 30.026 13.798 -23.321 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.249 14.211 -21.806 1.00 0.00 H new ATOM 1375 N ILE A 92 30.193 11.632 -19.393 1.00 0.00 N ATOM 1376 CA ILE A 92 30.229 11.729 -17.910 1.00 0.00 C ATOM 1377 C ILE A 92 31.481 11.000 -17.382 1.00 0.00 C ATOM 1378 O ILE A 92 32.178 11.505 -16.504 1.00 0.00 O ATOM 1379 CB ILE A 92 28.928 11.135 -17.311 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.973 9.598 -17.256 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.724 11.558 -18.160 1.00 0.00 C ATOM 1382 CD1 ILE A 92 27.756 9.079 -16.493 1.00 0.00 C ATOM 0 H ILE A 92 29.805 10.765 -19.765 1.00 0.00 H new ATOM 0 HA ILE A 92 30.287 12.774 -17.605 1.00 0.00 H new ATOM 0 HB ILE A 92 28.835 11.517 -16.294 1.00 0.00 H new ATOM 0 HG12 ILE A 92 28.984 9.188 -18.266 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.890 9.268 -16.767 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.813 11.138 -17.734 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.651 12.645 -18.172 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.851 11.192 -19.179 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.788 7.990 -16.454 1.00 0.00 H new ATOM 0 HD12 ILE A 92 27.765 9.479 -15.479 1.00 0.00 H new ATOM 0 HD13 ILE A 92 26.845 9.397 -17.001 1.00 0.00 H new ATOM 1383 N ILE A 93 31.792 9.831 -17.909 1.00 0.00 N ATOM 1384 CA ILE A 93 32.996 9.108 -17.444 1.00 0.00 C ATOM 1385 C ILE A 93 34.246 9.613 -18.222 1.00 0.00 C ATOM 1386 O ILE A 93 35.364 9.189 -17.935 1.00 0.00 O ATOM 1387 CB ILE A 93 32.811 7.539 -17.541 1.00 0.00 C ATOM 1388 CG1 ILE A 93 33.818 6.864 -18.496 1.00 0.00 C ATOM 1389 CG2 ILE A 93 31.397 7.098 -17.959 1.00 0.00 C ATOM 1390 CD1 ILE A 93 33.569 7.332 -19.934 1.00 0.00 C ATOM 0 H ILE A 93 31.257 9.360 -18.638 1.00 0.00 H new ATOM 0 HA ILE A 93 33.150 9.323 -16.387 1.00 0.00 H new ATOM 0 HB ILE A 93 32.995 7.209 -16.519 1.00 0.00 H new ATOM 0 HG12 ILE A 93 34.837 7.109 -18.196 1.00 0.00 H new ATOM 0 HG13 ILE A 93 33.720 5.780 -18.435 1.00 0.00 H new ATOM 0 HG21 ILE A 93 31.353 6.010 -18.002 1.00 0.00 H new ATOM 0 HG22 ILE A 93 30.672 7.462 -17.231 1.00 0.00 H new ATOM 0 HG23 ILE A 93 31.163 7.510 -18.941 1.00 0.00 H new ATOM 0 HD11 ILE A 93 34.284 6.851 -20.602 1.00 0.00 H new ATOM 0 HD12 ILE A 93 32.556 7.064 -20.233 1.00 0.00 H new ATOM 0 HD13 ILE A 93 33.690 8.414 -19.991 1.00 0.00 H new