USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 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 71 MET CE :methyl -143:sc= -0.306 (180deg=-1.45) USER MOD Set 1.2: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= 0.0554 USER MOD Set 2.2: A 85 TYR OH : rot -68:sc= -3.59! USER MOD Set 3.1: A 28 SER OG : rot 131:sc= 1 USER MOD Set 3.2: A 77 TYR OH : rot -165:sc= -0.975! USER MOD Set 4.1: A 12 TYR OH : rot 52:sc= 1.16 USER MOD Set 4.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 53 GLN :FLIP amide:sc= 0.405! F(o=-4.5,f=1.6!) USER MOD Set 5.1: A 10 THR OG1 : rot -20:sc= -1.13! USER MOD Set 5.2: A 90 SER OG : rot 112:sc= -0.0333 USER MOD Single : A 8 ASN : amide:sc= -1.97 K(o=-2,f=-4.2!) USER MOD Single : A 9 HIS : no HE2:sc= -8.57! C(o=-8.6!,f=-16!) USER MOD Single : A 14 ASN : amide:sc= -0.09 K(o=-0.09,f=-1.3) USER MOD Single : A 15 ASN :FLIP amide:sc= 0.202 F(o=-1.1,f=0.2) USER MOD Single : A 17 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.1!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -109:sc= 0.498 (180deg=-0.703) USER MOD Single : A 30 HIS : no HE2:sc= -6.23! C(o=-6.2!,f=-7.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.107 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 63 SER OG : rot 180:sc= 0.012 USER MOD Single : A 66 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 70 SER OG : rot -160:sc= -0.223 USER MOD Single : A 72 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.094) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.43 K(o=-3.4,f=-7.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00314 USER MOD ----------------------------------------------------------------- ATOM 682 N PRO A 7 32.098 -3.101 -27.975 1.00 0.00 N ATOM 683 CA PRO A 7 31.315 -2.740 -26.779 1.00 0.00 C ATOM 684 C PRO A 7 31.481 -1.245 -26.458 1.00 0.00 C ATOM 685 O PRO A 7 32.579 -0.700 -26.552 1.00 0.00 O ATOM 686 CB PRO A 7 31.919 -3.609 -25.672 1.00 0.00 C ATOM 687 CG PRO A 7 33.344 -3.987 -26.138 1.00 0.00 C ATOM 688 CD PRO A 7 33.369 -3.804 -27.667 1.00 0.00 C ATOM 0 HA PRO A 7 30.245 -2.905 -26.904 1.00 0.00 H new ATOM 0 HB2 PRO A 7 31.951 -3.066 -24.727 1.00 0.00 H new ATOM 0 HB3 PRO A 7 31.315 -4.501 -25.507 1.00 0.00 H new ATOM 0 HG2 PRO A 7 34.090 -3.352 -25.659 1.00 0.00 H new ATOM 0 HG3 PRO A 7 33.580 -5.016 -25.867 1.00 0.00 H new ATOM 0 HD2 PRO A 7 34.233 -3.220 -27.983 1.00 0.00 H new ATOM 0 HD3 PRO A 7 33.427 -4.763 -28.181 1.00 0.00 H new ATOM 689 N ASN A 8 30.416 -0.568 -26.082 1.00 0.00 N ATOM 690 CA ASN A 8 30.531 0.884 -25.761 1.00 0.00 C ATOM 691 C ASN A 8 30.179 1.110 -24.283 1.00 0.00 C ATOM 692 O ASN A 8 29.896 0.162 -23.552 1.00 0.00 O ATOM 693 CB ASN A 8 29.566 1.678 -26.644 1.00 0.00 C ATOM 694 CG ASN A 8 29.936 1.477 -28.118 1.00 0.00 C ATOM 695 OD1 ASN A 8 30.083 0.344 -28.574 1.00 0.00 O ATOM 696 ND2 ASN A 8 30.098 2.516 -28.901 1.00 0.00 N ATOM 0 H ASN A 8 29.480 -0.961 -25.986 1.00 0.00 H new ATOM 0 HA ASN A 8 31.552 1.219 -25.946 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.542 1.350 -26.468 1.00 0.00 H new ATOM 0 HB3 ASN A 8 29.610 2.737 -26.388 1.00 0.00 H new ATOM 0 HD21 ASN A 8 30.344 2.382 -29.882 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.978 3.458 -28.529 1.00 0.00 H new ATOM 697 N HIS A 9 30.191 2.342 -23.822 1.00 0.00 N ATOM 698 CA HIS A 9 29.856 2.603 -22.390 1.00 0.00 C ATOM 699 C HIS A 9 28.459 3.246 -22.275 1.00 0.00 C ATOM 700 O HIS A 9 28.209 4.025 -21.358 1.00 0.00 O ATOM 701 CB HIS A 9 30.898 3.559 -21.802 1.00 0.00 C ATOM 702 CG HIS A 9 31.180 3.194 -20.370 1.00 0.00 C ATOM 703 ND1 HIS A 9 32.465 2.961 -19.907 1.00 0.00 N ATOM 704 CD2 HIS A 9 30.355 3.025 -19.286 1.00 0.00 C ATOM 705 CE1 HIS A 9 32.378 2.670 -18.596 1.00 0.00 C ATOM 706 NE2 HIS A 9 31.113 2.694 -18.166 1.00 0.00 N ATOM 0 H HIS A 9 30.417 3.169 -24.374 1.00 0.00 H new ATOM 0 HA HIS A 9 29.857 1.659 -21.845 1.00 0.00 H new ATOM 0 HB2 HIS A 9 31.817 3.512 -22.386 1.00 0.00 H new ATOM 0 HB3 HIS A 9 30.536 4.585 -21.860 1.00 0.00 H new ATOM 0 HD1 HIS A 9 33.321 3.003 -20.460 1.00 0.00 H new ATOM 0 HD2 HIS A 9 29.280 3.133 -19.300 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.227 2.445 -17.968 1.00 0.00 H new ATOM 707 N THR A 10 27.540 2.944 -23.175 1.00 0.00 N ATOM 708 CA THR A 10 26.177 3.561 -23.080 1.00 0.00 C ATOM 709 C THR A 10 25.200 2.848 -24.032 1.00 0.00 C ATOM 710 O THR A 10 25.311 2.974 -25.251 1.00 0.00 O ATOM 711 CB THR A 10 26.259 5.041 -23.475 1.00 0.00 C ATOM 712 OG1 THR A 10 27.224 5.702 -22.664 1.00 0.00 O ATOM 713 CG2 THR A 10 24.893 5.703 -23.277 1.00 0.00 C ATOM 0 H THR A 10 27.677 2.306 -23.959 1.00 0.00 H new ATOM 0 HA THR A 10 25.819 3.463 -22.055 1.00 0.00 H new ATOM 0 HB THR A 10 26.552 5.115 -24.522 1.00 0.00 H new ATOM 0 HG1 THR A 10 27.381 5.179 -21.850 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.954 6.754 -23.558 1.00 0.00 H new ATOM 0 HG22 THR A 10 24.152 5.203 -23.901 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.599 5.624 -22.230 1.00 0.00 H new ATOM 714 N ILE A 11 24.238 2.112 -23.512 1.00 0.00 N ATOM 715 CA ILE A 11 23.270 1.422 -24.421 1.00 0.00 C ATOM 716 C ILE A 11 22.324 2.470 -25.026 1.00 0.00 C ATOM 717 O ILE A 11 22.290 3.618 -24.580 1.00 0.00 O ATOM 718 CB ILE A 11 22.462 0.361 -23.657 1.00 0.00 C ATOM 719 CG1 ILE A 11 21.680 1.023 -22.514 1.00 0.00 C ATOM 720 CG2 ILE A 11 23.417 -0.688 -23.081 1.00 0.00 C ATOM 721 CD1 ILE A 11 20.294 0.385 -22.402 1.00 0.00 C ATOM 0 H ILE A 11 24.086 1.964 -22.514 1.00 0.00 H new ATOM 0 HA ILE A 11 23.822 0.917 -25.214 1.00 0.00 H new ATOM 0 HB ILE A 11 21.761 -0.117 -24.341 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.221 0.907 -21.575 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.585 2.093 -22.697 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.846 -1.441 -22.539 1.00 0.00 H new ATOM 0 HG22 ILE A 11 23.967 -1.164 -23.893 1.00 0.00 H new ATOM 0 HG23 ILE A 11 24.119 -0.206 -22.401 1.00 0.00 H new ATOM 0 HD11 ILE A 11 19.741 0.857 -21.590 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.753 0.524 -23.338 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.399 -0.681 -22.198 1.00 0.00 H new ATOM 722 N TYR A 12 21.564 2.115 -26.039 1.00 0.00 N ATOM 723 CA TYR A 12 20.648 3.112 -26.667 1.00 0.00 C ATOM 724 C TYR A 12 19.297 2.445 -26.985 1.00 0.00 C ATOM 725 O TYR A 12 19.251 1.349 -27.538 1.00 0.00 O ATOM 726 CB TYR A 12 21.309 3.625 -27.956 1.00 0.00 C ATOM 727 CG TYR A 12 20.362 4.515 -28.730 1.00 0.00 C ATOM 728 CD1 TYR A 12 19.657 5.533 -28.076 1.00 0.00 C ATOM 729 CD2 TYR A 12 20.194 4.318 -30.104 1.00 0.00 C ATOM 730 CE1 TYR A 12 18.784 6.353 -28.800 1.00 0.00 C ATOM 731 CE2 TYR A 12 19.322 5.136 -30.828 1.00 0.00 C ATOM 732 CZ TYR A 12 18.615 6.155 -30.176 1.00 0.00 C ATOM 733 OH TYR A 12 17.753 6.962 -30.891 1.00 0.00 O ATOM 0 H TYR A 12 21.542 1.183 -26.452 1.00 0.00 H new ATOM 0 HA TYR A 12 20.467 3.946 -25.989 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.215 4.178 -27.710 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.610 2.781 -28.576 1.00 0.00 H new ATOM 0 HD1 TYR A 12 19.787 5.685 -27.015 1.00 0.00 H new ATOM 0 HD2 TYR A 12 20.739 3.533 -30.607 1.00 0.00 H new ATOM 0 HE1 TYR A 12 18.240 7.139 -28.297 1.00 0.00 H new ATOM 0 HE2 TYR A 12 19.193 4.983 -31.889 1.00 0.00 H new ATOM 0 HH TYR A 12 17.967 7.903 -30.719 1.00 0.00 H new ATOM 734 N ILE A 13 18.193 3.084 -26.656 1.00 0.00 N ATOM 735 CA ILE A 13 16.865 2.473 -26.953 1.00 0.00 C ATOM 736 C ILE A 13 16.005 3.474 -27.739 1.00 0.00 C ATOM 737 O ILE A 13 16.101 4.682 -27.532 1.00 0.00 O ATOM 738 CB ILE A 13 16.158 2.120 -25.642 1.00 0.00 C ATOM 739 CG1 ILE A 13 17.082 1.245 -24.774 1.00 0.00 C ATOM 740 CG2 ILE A 13 14.867 1.357 -25.954 1.00 0.00 C ATOM 741 CD1 ILE A 13 17.228 1.870 -23.383 1.00 0.00 C ATOM 0 H ILE A 13 18.161 3.995 -26.198 1.00 0.00 H new ATOM 0 HA ILE A 13 17.008 1.569 -27.545 1.00 0.00 H new ATOM 0 HB ILE A 13 15.919 3.034 -25.099 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.672 0.239 -24.690 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.060 1.152 -25.246 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.360 1.103 -25.023 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.214 1.981 -26.564 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.107 0.443 -26.497 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.882 1.248 -22.772 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.658 2.867 -23.476 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.248 1.939 -22.911 1.00 0.00 H new ATOM 742 N ASN A 14 15.165 3.004 -28.638 1.00 0.00 N ATOM 743 CA ASN A 14 14.311 3.947 -29.418 1.00 0.00 C ATOM 744 C ASN A 14 12.938 3.305 -29.679 1.00 0.00 C ATOM 745 O ASN A 14 12.642 2.226 -29.167 1.00 0.00 O ATOM 746 CB ASN A 14 15.003 4.282 -30.748 1.00 0.00 C ATOM 747 CG ASN A 14 15.085 3.030 -31.636 1.00 0.00 C ATOM 748 OD1 ASN A 14 15.700 2.037 -31.254 1.00 0.00 O ATOM 749 ND2 ASN A 14 14.497 3.021 -32.807 1.00 0.00 N ATOM 0 H ASN A 14 15.039 2.016 -28.859 1.00 0.00 H new ATOM 0 HA ASN A 14 14.167 4.867 -28.851 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.452 5.068 -31.265 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.005 4.668 -30.558 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.551 2.192 -33.398 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.986 3.843 -33.127 1.00 0.00 H new ATOM 750 N ASN A 15 12.091 3.940 -30.462 1.00 0.00 N ATOM 751 CA ASN A 15 10.747 3.353 -30.741 1.00 0.00 C ATOM 752 C ASN A 15 9.958 3.233 -29.428 1.00 0.00 C ATOM 753 O ASN A 15 9.320 2.215 -29.169 1.00 0.00 O ATOM 754 CB ASN A 15 10.908 1.964 -31.367 1.00 0.00 C ATOM 755 CG ASN A 15 9.585 1.539 -32.015 1.00 0.00 C ATOM 756 OD1 ASN A 15 9.489 1.464 -33.321 1.00 0.00 O flip ATOM 757 ND2 ASN A 15 8.609 1.269 -31.318 1.00 0.00 N flip ATOM 0 H ASN A 15 12.276 4.835 -30.915 1.00 0.00 H new ATOM 0 HA ASN A 15 10.209 4.000 -31.433 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.702 1.980 -32.113 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.201 1.242 -30.605 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.677 1.325 -30.302 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.731 0.989 -31.756 1.00 0.00 H new ATOM 758 N LEU A 16 9.982 4.252 -28.594 1.00 0.00 N ATOM 759 CA LEU A 16 9.223 4.172 -27.308 1.00 0.00 C ATOM 760 C LEU A 16 7.792 4.689 -27.532 1.00 0.00 C ATOM 761 O LEU A 16 7.399 4.977 -28.662 1.00 0.00 O ATOM 762 CB LEU A 16 9.916 5.025 -26.237 1.00 0.00 C ATOM 763 CG LEU A 16 11.397 4.647 -26.160 1.00 0.00 C ATOM 764 CD1 LEU A 16 12.118 5.594 -25.199 1.00 0.00 C ATOM 765 CD2 LEU A 16 11.531 3.209 -25.653 1.00 0.00 C ATOM 0 H LEU A 16 10.489 5.123 -28.749 1.00 0.00 H new ATOM 0 HA LEU A 16 9.192 3.136 -26.971 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.812 6.083 -26.477 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.440 4.869 -25.269 1.00 0.00 H new ATOM 0 HG LEU A 16 11.843 4.727 -27.151 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.173 5.324 -25.145 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.024 6.619 -25.559 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.672 5.515 -24.208 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.586 2.939 -25.598 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.084 3.129 -24.662 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.019 2.533 -26.337 1.00 0.00 H new ATOM 766 N ASN A 17 7.002 4.819 -26.487 1.00 0.00 N ATOM 767 CA ASN A 17 5.604 5.321 -26.671 1.00 0.00 C ATOM 768 C ASN A 17 5.628 6.850 -26.773 1.00 0.00 C ATOM 769 O ASN A 17 6.526 7.503 -26.243 1.00 0.00 O ATOM 770 CB ASN A 17 4.726 4.897 -25.483 1.00 0.00 C ATOM 771 CG ASN A 17 3.414 4.289 -26.000 1.00 0.00 C ATOM 772 OD1 ASN A 17 3.020 4.540 -27.136 1.00 0.00 O ATOM 773 ND2 ASN A 17 2.710 3.498 -25.227 1.00 0.00 N ATOM 0 H ASN A 17 7.264 4.601 -25.526 1.00 0.00 H new ATOM 0 HA ASN A 17 5.187 4.896 -27.584 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.257 4.171 -24.867 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.514 5.758 -24.849 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.839 3.093 -25.570 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.034 3.287 -24.283 1.00 0.00 H new ATOM 774 N GLU A 18 4.665 7.437 -27.445 1.00 0.00 N ATOM 775 CA GLU A 18 4.651 8.922 -27.577 1.00 0.00 C ATOM 776 C GLU A 18 3.640 9.524 -26.588 1.00 0.00 C ATOM 777 O GLU A 18 2.895 10.441 -26.931 1.00 0.00 O ATOM 778 CB GLU A 18 4.253 9.299 -29.005 1.00 0.00 C ATOM 779 CG GLU A 18 5.479 9.216 -29.915 1.00 0.00 C ATOM 780 CD GLU A 18 5.050 8.756 -31.310 1.00 0.00 C ATOM 781 OE1 GLU A 18 4.364 7.751 -31.396 1.00 0.00 O ATOM 782 OE2 GLU A 18 5.415 9.417 -32.268 1.00 0.00 O ATOM 0 H GLU A 18 3.894 6.952 -27.904 1.00 0.00 H new ATOM 0 HA GLU A 18 5.644 9.313 -27.357 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.473 8.628 -29.366 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.840 10.308 -29.025 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.967 10.189 -29.975 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.207 8.520 -29.499 1.00 0.00 H new ATOM 783 N LYS A 19 3.597 9.039 -25.364 1.00 0.00 N ATOM 784 CA LYS A 19 2.634 9.604 -24.374 1.00 0.00 C ATOM 785 C LYS A 19 3.226 9.522 -22.953 1.00 0.00 C ATOM 786 O LYS A 19 2.497 9.322 -21.983 1.00 0.00 O ATOM 787 CB LYS A 19 1.326 8.811 -24.425 1.00 0.00 C ATOM 788 CG LYS A 19 0.808 8.772 -25.864 1.00 0.00 C ATOM 789 CD LYS A 19 -0.548 8.064 -25.901 1.00 0.00 C ATOM 790 CE LYS A 19 -1.000 7.899 -27.353 1.00 0.00 C ATOM 791 NZ LYS A 19 -2.429 7.476 -27.384 1.00 0.00 N ATOM 0 H LYS A 19 4.185 8.282 -25.016 1.00 0.00 H new ATOM 0 HA LYS A 19 2.442 10.648 -24.621 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.488 7.797 -24.058 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.584 9.271 -23.773 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.712 9.785 -26.254 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.520 8.250 -26.504 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.474 7.089 -25.419 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.286 8.640 -25.343 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.876 8.838 -27.893 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.379 7.158 -27.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.736 7.364 -28.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.534 6.570 -26.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.015 8.198 -26.919 1.00 0.00 H new ATOM 792 N ILE A 20 4.528 9.667 -22.802 1.00 0.00 N ATOM 793 CA ILE A 20 5.136 9.588 -21.442 1.00 0.00 C ATOM 794 C ILE A 20 5.865 10.897 -21.144 1.00 0.00 C ATOM 795 O ILE A 20 6.255 11.625 -22.058 1.00 0.00 O ATOM 796 CB ILE A 20 6.153 8.435 -21.362 1.00 0.00 C ATOM 797 CG1 ILE A 20 5.680 7.245 -22.221 1.00 0.00 C ATOM 798 CG2 ILE A 20 6.316 7.993 -19.896 1.00 0.00 C ATOM 799 CD1 ILE A 20 6.513 7.182 -23.506 1.00 0.00 C ATOM 0 H ILE A 20 5.187 9.836 -23.562 1.00 0.00 H new ATOM 0 HA ILE A 20 4.340 9.413 -20.718 1.00 0.00 H new ATOM 0 HB ILE A 20 7.113 8.780 -21.744 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.783 6.315 -21.662 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.623 7.355 -22.465 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.036 7.177 -19.840 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.673 8.833 -19.300 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.355 7.656 -19.509 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.180 6.341 -24.115 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.387 8.108 -24.067 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.565 7.052 -23.252 1.00 0.00 H new ATOM 800 N LYS A 21 6.067 11.216 -19.887 1.00 0.00 N ATOM 801 CA LYS A 21 6.778 12.477 -19.553 1.00 0.00 C ATOM 802 C LYS A 21 8.271 12.174 -19.346 1.00 0.00 C ATOM 803 O LYS A 21 8.730 11.071 -19.635 1.00 0.00 O ATOM 804 CB LYS A 21 6.183 13.090 -18.278 1.00 0.00 C ATOM 805 CG LYS A 21 4.662 13.186 -18.415 1.00 0.00 C ATOM 806 CD LYS A 21 4.055 13.639 -17.086 1.00 0.00 C ATOM 807 CE LYS A 21 2.542 13.802 -17.245 1.00 0.00 C ATOM 808 NZ LYS A 21 1.879 13.593 -15.926 1.00 0.00 N ATOM 0 H LYS A 21 5.770 10.657 -19.087 1.00 0.00 H new ATOM 0 HA LYS A 21 6.662 13.190 -20.370 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.442 12.479 -17.414 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.606 14.080 -18.107 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.402 13.891 -19.204 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.251 12.219 -18.703 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.273 12.909 -16.307 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.502 14.582 -16.773 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.311 14.796 -17.627 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.163 13.085 -17.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.850 13.704 -16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.090 12.635 -15.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.233 14.294 -15.244 1.00 0.00 H new ATOM 809 N LYS A 22 9.041 13.122 -18.858 1.00 0.00 N ATOM 810 CA LYS A 22 10.501 12.858 -18.646 1.00 0.00 C ATOM 811 C LYS A 22 10.719 12.171 -17.292 1.00 0.00 C ATOM 812 O LYS A 22 11.578 11.301 -17.163 1.00 0.00 O ATOM 813 CB LYS A 22 11.276 14.179 -18.661 1.00 0.00 C ATOM 814 CG LYS A 22 10.948 14.950 -19.940 1.00 0.00 C ATOM 815 CD LYS A 22 12.126 15.856 -20.307 1.00 0.00 C ATOM 816 CE LYS A 22 12.079 16.173 -21.803 1.00 0.00 C ATOM 817 NZ LYS A 22 13.132 17.175 -22.132 1.00 0.00 N ATOM 0 H LYS A 22 8.725 14.057 -18.600 1.00 0.00 H new ATOM 0 HA LYS A 22 10.858 12.211 -19.447 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.015 14.776 -17.787 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.347 13.985 -18.606 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.743 14.255 -20.754 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.047 15.547 -19.796 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.084 16.778 -19.727 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.067 15.366 -20.058 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.234 15.263 -22.383 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.096 16.560 -22.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.100 17.391 -23.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.965 18.046 -21.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.067 16.789 -21.889 1.00 0.00 H new ATOM 818 N ASP A 23 9.960 12.526 -16.281 1.00 0.00 N ATOM 819 CA ASP A 23 10.135 11.867 -14.953 1.00 0.00 C ATOM 820 C ASP A 23 9.720 10.396 -15.073 1.00 0.00 C ATOM 821 O ASP A 23 10.269 9.536 -14.388 1.00 0.00 O ATOM 822 CB ASP A 23 9.269 12.554 -13.889 1.00 0.00 C ATOM 823 CG ASP A 23 9.967 12.470 -12.531 1.00 0.00 C ATOM 824 OD1 ASP A 23 11.126 12.844 -12.457 1.00 0.00 O ATOM 825 OD2 ASP A 23 9.330 12.031 -11.587 1.00 0.00 O ATOM 0 H ASP A 23 9.232 13.239 -16.320 1.00 0.00 H new ATOM 0 HA ASP A 23 11.180 11.944 -14.652 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.101 13.596 -14.159 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.291 12.076 -13.837 1.00 0.00 H new ATOM 826 N GLU A 24 8.760 10.079 -15.924 1.00 0.00 N ATOM 827 CA GLU A 24 8.344 8.655 -16.052 1.00 0.00 C ATOM 828 C GLU A 24 9.414 7.879 -16.838 1.00 0.00 C ATOM 829 O GLU A 24 9.901 6.848 -16.385 1.00 0.00 O ATOM 830 CB GLU A 24 6.998 8.550 -16.780 1.00 0.00 C ATOM 831 CG GLU A 24 5.869 8.949 -15.827 1.00 0.00 C ATOM 832 CD GLU A 24 4.580 8.234 -16.233 1.00 0.00 C ATOM 833 OE1 GLU A 24 4.225 8.308 -17.397 1.00 0.00 O ATOM 834 OE2 GLU A 24 3.969 7.623 -15.371 1.00 0.00 O ATOM 0 H GLU A 24 8.261 10.739 -16.521 1.00 0.00 H new ATOM 0 HA GLU A 24 8.236 8.230 -15.054 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.995 9.199 -17.656 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.844 7.532 -17.137 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.135 8.688 -14.803 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.722 10.029 -15.853 1.00 0.00 H new ATOM 835 N LEU A 25 9.784 8.345 -18.013 1.00 0.00 N ATOM 836 CA LEU A 25 10.824 7.612 -18.820 1.00 0.00 C ATOM 837 C LEU A 25 12.080 7.326 -17.977 1.00 0.00 C ATOM 838 O LEU A 25 12.764 6.334 -18.212 1.00 0.00 O ATOM 839 CB LEU A 25 11.236 8.451 -20.050 1.00 0.00 C ATOM 840 CG LEU A 25 11.186 7.598 -21.327 1.00 0.00 C ATOM 841 CD1 LEU A 25 12.088 6.367 -21.179 1.00 0.00 C ATOM 842 CD2 LEU A 25 9.745 7.156 -21.584 1.00 0.00 C ATOM 0 H LEU A 25 9.416 9.192 -18.446 1.00 0.00 H new ATOM 0 HA LEU A 25 10.385 6.668 -19.141 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.570 9.308 -20.152 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.243 8.845 -19.908 1.00 0.00 H new ATOM 0 HG LEU A 25 11.542 8.193 -22.168 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.043 5.771 -22.091 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.115 6.687 -21.005 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.748 5.766 -20.336 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.706 6.551 -22.490 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.389 6.568 -20.738 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.112 8.034 -21.707 1.00 0.00 H new ATOM 843 N LYS A 26 12.416 8.161 -17.018 1.00 0.00 N ATOM 844 CA LYS A 26 13.645 7.888 -16.203 1.00 0.00 C ATOM 845 C LYS A 26 13.341 6.810 -15.153 1.00 0.00 C ATOM 846 O LYS A 26 14.172 5.946 -14.883 1.00 0.00 O ATOM 847 CB LYS A 26 14.113 9.168 -15.500 1.00 0.00 C ATOM 848 CG LYS A 26 15.429 8.900 -14.769 1.00 0.00 C ATOM 849 CD LYS A 26 16.074 10.229 -14.370 1.00 0.00 C ATOM 850 CE LYS A 26 17.086 9.991 -13.247 1.00 0.00 C ATOM 851 NZ LYS A 26 17.130 11.185 -12.357 1.00 0.00 N ATOM 0 H LYS A 26 11.902 9.006 -16.768 1.00 0.00 H new ATOM 0 HA LYS A 26 14.435 7.539 -16.868 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.247 9.967 -16.229 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.355 9.505 -14.793 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.247 8.292 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.105 8.334 -15.411 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.570 10.677 -15.231 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.309 10.932 -14.041 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.808 9.107 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.074 9.801 -13.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.818 11.024 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.415 12.019 -12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.188 11.347 -11.946 1.00 0.00 H new ATOM 852 N LYS A 27 12.172 6.837 -14.551 1.00 0.00 N ATOM 853 CA LYS A 27 11.844 5.801 -13.518 1.00 0.00 C ATOM 854 C LYS A 27 11.793 4.393 -14.146 1.00 0.00 C ATOM 855 O LYS A 27 11.957 3.399 -13.438 1.00 0.00 O ATOM 856 CB LYS A 27 10.485 6.108 -12.870 1.00 0.00 C ATOM 857 CG LYS A 27 10.700 6.858 -11.552 1.00 0.00 C ATOM 858 CD LYS A 27 10.918 8.345 -11.838 1.00 0.00 C ATOM 859 CE LYS A 27 11.768 8.961 -10.725 1.00 0.00 C ATOM 860 NZ LYS A 27 11.311 10.355 -10.463 1.00 0.00 N ATOM 0 H LYS A 27 11.439 7.524 -14.728 1.00 0.00 H new ATOM 0 HA LYS A 27 12.628 5.826 -12.761 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.876 6.708 -13.546 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.940 5.182 -12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.836 6.725 -10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.562 6.448 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.413 8.472 -12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.958 8.858 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.686 8.363 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.819 8.960 -11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.027 11.026 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.412 10.524 -10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.175 10.489 -9.441 1.00 0.00 H new ATOM 861 N SER A 28 11.555 4.261 -15.441 1.00 0.00 N ATOM 862 CA SER A 28 11.489 2.889 -16.035 1.00 0.00 C ATOM 863 C SER A 28 12.873 2.446 -16.537 1.00 0.00 C ATOM 864 O SER A 28 13.278 1.306 -16.325 1.00 0.00 O ATOM 865 CB SER A 28 10.499 2.877 -17.202 1.00 0.00 C ATOM 866 OG SER A 28 9.238 3.356 -16.754 1.00 0.00 O ATOM 0 H SER A 28 11.408 5.031 -16.093 1.00 0.00 H new ATOM 0 HA SER A 28 11.157 2.196 -15.262 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.870 3.501 -18.015 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.397 1.866 -17.597 1.00 0.00 H new ATOM 0 HG SER A 28 8.908 4.038 -17.375 1.00 0.00 H new ATOM 867 N LEU A 29 13.604 3.308 -17.209 1.00 0.00 N ATOM 868 CA LEU A 29 14.954 2.898 -17.730 1.00 0.00 C ATOM 869 C LEU A 29 15.889 2.495 -16.578 1.00 0.00 C ATOM 870 O LEU A 29 16.739 1.620 -16.742 1.00 0.00 O ATOM 871 CB LEU A 29 15.596 4.053 -18.509 1.00 0.00 C ATOM 872 CG LEU A 29 14.991 4.122 -19.911 1.00 0.00 C ATOM 873 CD1 LEU A 29 15.290 5.490 -20.527 1.00 0.00 C ATOM 874 CD2 LEU A 29 15.605 3.025 -20.783 1.00 0.00 C ATOM 0 H LEU A 29 13.329 4.268 -17.418 1.00 0.00 H new ATOM 0 HA LEU A 29 14.809 2.042 -18.389 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.433 4.994 -17.984 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.674 3.907 -18.574 1.00 0.00 H new ATOM 0 HG LEU A 29 13.912 3.978 -19.851 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.859 5.541 -21.527 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.855 6.272 -19.905 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.369 5.633 -20.589 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.175 3.072 -21.783 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.684 3.170 -20.844 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.394 2.050 -20.343 1.00 0.00 H new ATOM 875 N HIS A 30 15.774 3.116 -15.426 1.00 0.00 N ATOM 876 CA HIS A 30 16.687 2.753 -14.295 1.00 0.00 C ATOM 877 C HIS A 30 16.310 1.379 -13.723 1.00 0.00 C ATOM 878 O HIS A 30 17.176 0.545 -13.474 1.00 0.00 O ATOM 879 CB HIS A 30 16.593 3.805 -13.181 1.00 0.00 C ATOM 880 CG HIS A 30 17.856 3.794 -12.365 1.00 0.00 C ATOM 881 ND1 HIS A 30 17.978 3.047 -11.203 1.00 0.00 N ATOM 882 CD2 HIS A 30 19.058 4.437 -12.525 1.00 0.00 C ATOM 883 CE1 HIS A 30 19.213 3.259 -10.713 1.00 0.00 C ATOM 884 NE2 HIS A 30 19.914 4.098 -11.481 1.00 0.00 N ATOM 0 H HIS A 30 15.096 3.850 -15.222 1.00 0.00 H new ATOM 0 HA HIS A 30 17.707 2.717 -14.677 1.00 0.00 H new ATOM 0 HB2 HIS A 30 16.437 4.793 -13.613 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.734 3.597 -12.543 1.00 0.00 H new ATOM 0 HD1 HIS A 30 17.262 2.446 -10.794 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.303 5.105 -13.338 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.592 2.806 -9.809 1.00 0.00 H new ATOM 885 N ALA A 31 15.044 1.128 -13.494 1.00 0.00 N ATOM 886 CA ALA A 31 14.639 -0.196 -12.915 1.00 0.00 C ATOM 887 C ALA A 31 15.149 -1.347 -13.797 1.00 0.00 C ATOM 888 O ALA A 31 15.717 -2.316 -13.295 1.00 0.00 O ATOM 889 CB ALA A 31 13.109 -0.285 -12.812 1.00 0.00 C ATOM 0 H ALA A 31 14.278 1.775 -13.680 1.00 0.00 H new ATOM 0 HA ALA A 31 15.078 -0.280 -11.921 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.828 -1.250 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.741 0.513 -12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.671 -0.181 -13.805 1.00 0.00 H new ATOM 890 N ILE A 32 14.940 -1.284 -15.094 1.00 0.00 N ATOM 891 CA ILE A 32 15.396 -2.395 -15.973 1.00 0.00 C ATOM 892 C ILE A 32 16.924 -2.555 -15.909 1.00 0.00 C ATOM 893 O ILE A 32 17.426 -3.653 -15.669 1.00 0.00 O ATOM 894 CB ILE A 32 14.976 -2.194 -17.452 1.00 0.00 C ATOM 895 CG1 ILE A 32 14.748 -0.723 -17.847 1.00 0.00 C ATOM 896 CG2 ILE A 32 13.696 -2.978 -17.734 1.00 0.00 C ATOM 897 CD1 ILE A 32 14.932 -0.566 -19.359 1.00 0.00 C ATOM 0 H ILE A 32 14.475 -0.513 -15.573 1.00 0.00 H new ATOM 0 HA ILE A 32 14.910 -3.296 -15.598 1.00 0.00 H new ATOM 0 HB ILE A 32 15.811 -2.558 -18.051 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.745 -0.409 -17.557 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.450 -0.080 -17.316 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.403 -2.835 -18.774 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.870 -4.038 -17.549 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.900 -2.622 -17.081 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.771 0.475 -19.639 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.944 -0.864 -19.635 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.213 -1.198 -19.881 1.00 0.00 H new ATOM 898 N PHE A 33 17.677 -1.508 -16.147 1.00 0.00 N ATOM 899 CA PHE A 33 19.169 -1.646 -16.129 1.00 0.00 C ATOM 900 C PHE A 33 19.753 -1.223 -14.768 1.00 0.00 C ATOM 901 O PHE A 33 20.770 -0.532 -14.714 1.00 0.00 O ATOM 902 CB PHE A 33 19.779 -0.770 -17.231 1.00 0.00 C ATOM 903 CG PHE A 33 19.046 -0.993 -18.534 1.00 0.00 C ATOM 904 CD1 PHE A 33 18.860 -2.292 -19.022 1.00 0.00 C ATOM 905 CD2 PHE A 33 18.552 0.103 -19.252 1.00 0.00 C ATOM 906 CE1 PHE A 33 18.181 -2.494 -20.229 1.00 0.00 C ATOM 907 CE2 PHE A 33 17.873 -0.100 -20.460 1.00 0.00 C ATOM 908 CZ PHE A 33 17.688 -1.399 -20.948 1.00 0.00 C ATOM 0 H PHE A 33 17.328 -0.572 -16.351 1.00 0.00 H new ATOM 0 HA PHE A 33 19.414 -2.694 -16.300 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.720 0.280 -16.946 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.836 -1.008 -17.353 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.240 -3.137 -18.468 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.695 1.105 -18.874 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.037 -3.496 -20.606 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.492 0.745 -21.015 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.165 -1.556 -21.880 1.00 0.00 H new ATOM 909 N SER A 34 19.157 -1.630 -13.669 1.00 0.00 N ATOM 910 CA SER A 34 19.719 -1.245 -12.337 1.00 0.00 C ATOM 911 C SER A 34 20.216 -2.501 -11.600 1.00 0.00 C ATOM 912 O SER A 34 21.372 -2.569 -11.188 1.00 0.00 O ATOM 913 CB SER A 34 18.640 -0.561 -11.498 1.00 0.00 C ATOM 914 OG SER A 34 18.908 -0.777 -10.118 1.00 0.00 O ATOM 0 H SER A 34 18.315 -2.205 -13.639 1.00 0.00 H new ATOM 0 HA SER A 34 20.552 -0.558 -12.488 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.619 0.507 -11.713 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.658 -0.957 -11.756 1.00 0.00 H new ATOM 0 HG SER A 34 18.218 -0.338 -9.578 1.00 0.00 H new ATOM 915 N ARG A 35 19.373 -3.496 -11.418 1.00 0.00 N ATOM 916 CA ARG A 35 19.822 -4.736 -10.697 1.00 0.00 C ATOM 917 C ARG A 35 21.097 -5.296 -11.352 1.00 0.00 C ATOM 918 O ARG A 35 21.984 -5.801 -10.666 1.00 0.00 O ATOM 919 CB ARG A 35 18.729 -5.814 -10.753 1.00 0.00 C ATOM 920 CG ARG A 35 17.434 -5.282 -10.122 1.00 0.00 C ATOM 921 CD ARG A 35 16.252 -5.577 -11.049 1.00 0.00 C ATOM 922 NE ARG A 35 15.040 -5.870 -10.234 1.00 0.00 N ATOM 923 CZ ARG A 35 14.842 -7.075 -9.772 1.00 0.00 C ATOM 924 NH1 ARG A 35 15.343 -7.420 -8.618 1.00 0.00 N ATOM 925 NH2 ARG A 35 14.143 -7.932 -10.464 1.00 0.00 N ATOM 0 H ARG A 35 18.403 -3.504 -11.734 1.00 0.00 H new ATOM 0 HA ARG A 35 20.022 -4.471 -9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.546 -6.105 -11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.061 -6.708 -10.224 1.00 0.00 H new ATOM 0 HG2 ARG A 35 17.272 -5.749 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 35 17.515 -4.209 -9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.067 -4.724 -11.701 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.484 -6.426 -11.692 1.00 0.00 H new ATOM 0 HE ARG A 35 14.366 -5.130 -10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.889 -6.749 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.189 -8.361 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.751 -7.661 -11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.988 -8.873 -10.103 1.00 0.00 H new ATOM 926 N PHE A 36 21.208 -5.234 -12.664 1.00 0.00 N ATOM 927 CA PHE A 36 22.433 -5.785 -13.333 1.00 0.00 C ATOM 928 C PHE A 36 23.693 -5.140 -12.731 1.00 0.00 C ATOM 929 O PHE A 36 24.532 -5.827 -12.151 1.00 0.00 O ATOM 930 CB PHE A 36 22.393 -5.500 -14.844 1.00 0.00 C ATOM 931 CG PHE A 36 21.122 -6.057 -15.457 1.00 0.00 C ATOM 932 CD1 PHE A 36 20.631 -7.314 -15.067 1.00 0.00 C ATOM 933 CD2 PHE A 36 20.438 -5.311 -16.423 1.00 0.00 C ATOM 934 CE1 PHE A 36 19.459 -7.816 -15.644 1.00 0.00 C ATOM 935 CE2 PHE A 36 19.266 -5.815 -16.999 1.00 0.00 C ATOM 936 CZ PHE A 36 18.776 -7.067 -16.609 1.00 0.00 C ATOM 0 H PHE A 36 20.512 -4.831 -13.291 1.00 0.00 H new ATOM 0 HA PHE A 36 22.459 -6.863 -13.172 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.447 -4.425 -15.019 1.00 0.00 H new ATOM 0 HB3 PHE A 36 23.262 -5.946 -15.327 1.00 0.00 H new ATOM 0 HD1 PHE A 36 21.158 -7.893 -14.322 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.815 -4.345 -16.725 1.00 0.00 H new ATOM 0 HE1 PHE A 36 19.081 -8.782 -15.344 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.740 -5.238 -17.745 1.00 0.00 H new ATOM 0 HZ PHE A 36 17.871 -7.455 -17.053 1.00 0.00 H new ATOM 937 N GLY A 37 23.850 -3.840 -12.855 1.00 0.00 N ATOM 938 CA GLY A 37 25.063 -3.181 -12.285 1.00 0.00 C ATOM 939 C GLY A 37 24.678 -1.819 -11.690 1.00 0.00 C ATOM 940 O GLY A 37 23.649 -1.690 -11.028 1.00 0.00 O ATOM 0 H GLY A 37 23.194 -3.215 -13.323 1.00 0.00 H new ATOM 0 HA2 GLY A 37 25.505 -3.814 -11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 37 25.817 -3.050 -13.061 1.00 0.00 H new ATOM 941 N GLN A 38 25.479 -0.797 -11.906 1.00 0.00 N ATOM 942 CA GLN A 38 25.140 0.542 -11.346 1.00 0.00 C ATOM 943 C GLN A 38 24.928 1.539 -12.494 1.00 0.00 C ATOM 944 O GLN A 38 25.701 1.572 -13.449 1.00 0.00 O ATOM 945 CB GLN A 38 26.286 1.028 -10.454 1.00 0.00 C ATOM 946 CG GLN A 38 25.870 2.320 -9.748 1.00 0.00 C ATOM 947 CD GLN A 38 26.955 2.730 -8.745 1.00 0.00 C ATOM 948 OE1 GLN A 38 27.641 1.875 -8.188 1.00 0.00 O ATOM 949 NE2 GLN A 38 27.154 3.999 -8.477 1.00 0.00 N ATOM 0 H GLN A 38 26.345 -0.838 -12.443 1.00 0.00 H new ATOM 0 HA GLN A 38 24.227 0.467 -10.756 1.00 0.00 H new ATOM 0 HB2 GLN A 38 26.538 0.264 -9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 38 27.180 1.200 -11.054 1.00 0.00 H new ATOM 0 HG2 GLN A 38 25.718 3.114 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 38 24.920 2.175 -9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 38 26.588 4.712 -8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.875 4.272 -7.809 1.00 0.00 H new ATOM 950 N ILE A 39 23.898 2.355 -12.425 1.00 0.00 N ATOM 951 CA ILE A 39 23.656 3.340 -13.520 1.00 0.00 C ATOM 952 C ILE A 39 24.190 4.716 -13.094 1.00 0.00 C ATOM 953 O ILE A 39 23.726 5.294 -12.113 1.00 0.00 O ATOM 954 CB ILE A 39 22.155 3.438 -13.797 1.00 0.00 C ATOM 955 CG1 ILE A 39 21.602 2.046 -14.114 1.00 0.00 C ATOM 956 CG2 ILE A 39 21.913 4.363 -14.990 1.00 0.00 C ATOM 957 CD1 ILE A 39 20.079 2.116 -14.226 1.00 0.00 C ATOM 0 H ILE A 39 23.222 2.378 -11.662 1.00 0.00 H new ATOM 0 HA ILE A 39 24.170 3.013 -14.424 1.00 0.00 H new ATOM 0 HB ILE A 39 21.651 3.840 -12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 39 22.029 1.677 -15.046 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.888 1.343 -13.332 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.843 4.432 -15.186 1.00 0.00 H new ATOM 0 HG22 ILE A 39 22.305 5.355 -14.767 1.00 0.00 H new ATOM 0 HG23 ILE A 39 22.418 3.963 -15.869 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.685 1.125 -14.452 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.661 2.467 -13.283 1.00 0.00 H new ATOM 0 HD13 ILE A 39 19.804 2.806 -15.024 1.00 0.00 H new ATOM 958 N LEU A 40 25.157 5.256 -13.806 1.00 0.00 N ATOM 959 CA LEU A 40 25.702 6.597 -13.420 1.00 0.00 C ATOM 960 C LEU A 40 24.646 7.675 -13.704 1.00 0.00 C ATOM 961 O LEU A 40 24.450 8.591 -12.906 1.00 0.00 O ATOM 962 CB LEU A 40 26.980 6.906 -14.220 1.00 0.00 C ATOM 963 CG LEU A 40 28.092 7.362 -13.272 1.00 0.00 C ATOM 964 CD1 LEU A 40 28.469 6.213 -12.335 1.00 0.00 C ATOM 965 CD2 LEU A 40 29.318 7.777 -14.090 1.00 0.00 C ATOM 0 H LEU A 40 25.586 4.830 -14.627 1.00 0.00 H new ATOM 0 HA LEU A 40 25.946 6.589 -12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 40 27.299 6.020 -14.769 1.00 0.00 H new ATOM 0 HB3 LEU A 40 26.778 7.682 -14.958 1.00 0.00 H new ATOM 0 HG LEU A 40 27.743 8.210 -12.682 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.261 6.539 -11.660 1.00 0.00 H new ATOM 0 HD12 LEU A 40 27.596 5.916 -11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 28.819 5.364 -12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 40 30.111 8.102 -13.417 1.00 0.00 H new ATOM 0 HD22 LEU A 40 29.667 6.929 -14.679 1.00 0.00 H new ATOM 0 HD23 LEU A 40 29.050 8.596 -14.757 1.00 0.00 H new ATOM 966 N ASP A 41 23.961 7.591 -14.822 1.00 0.00 N ATOM 967 CA ASP A 41 22.922 8.622 -15.135 1.00 0.00 C ATOM 968 C ASP A 41 22.205 8.278 -16.453 1.00 0.00 C ATOM 969 O ASP A 41 22.761 7.600 -17.315 1.00 0.00 O ATOM 970 CB ASP A 41 23.593 9.992 -15.267 1.00 0.00 C ATOM 971 CG ASP A 41 22.588 11.090 -14.918 1.00 0.00 C ATOM 972 OD1 ASP A 41 21.882 11.525 -15.813 1.00 0.00 O ATOM 973 OD2 ASP A 41 22.541 11.478 -13.763 1.00 0.00 O ATOM 0 H ASP A 41 24.076 6.860 -15.524 1.00 0.00 H new ATOM 0 HA ASP A 41 22.189 8.641 -14.329 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.456 10.051 -14.604 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.961 10.132 -16.283 1.00 0.00 H new ATOM 974 N ILE A 42 20.983 8.733 -16.630 1.00 0.00 N ATOM 975 CA ILE A 42 20.249 8.427 -17.893 1.00 0.00 C ATOM 976 C ILE A 42 19.941 9.743 -18.622 1.00 0.00 C ATOM 977 O ILE A 42 19.888 10.804 -18.001 1.00 0.00 O ATOM 978 CB ILE A 42 18.940 7.700 -17.567 1.00 0.00 C ATOM 979 CG1 ILE A 42 19.228 6.511 -16.647 1.00 0.00 C ATOM 980 CG2 ILE A 42 18.299 7.191 -18.858 1.00 0.00 C ATOM 981 CD1 ILE A 42 17.907 5.915 -16.155 1.00 0.00 C ATOM 0 H ILE A 42 20.469 9.300 -15.955 1.00 0.00 H new ATOM 0 HA ILE A 42 20.862 7.788 -18.529 1.00 0.00 H new ATOM 0 HB ILE A 42 18.261 8.393 -17.070 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.804 5.755 -17.181 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.833 6.832 -15.799 1.00 0.00 H new ATOM 0 HG21 ILE A 42 17.368 6.674 -18.623 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.090 8.034 -19.517 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.981 6.502 -19.356 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.112 5.068 -15.500 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.348 6.673 -15.605 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.319 5.579 -17.009 1.00 0.00 H new ATOM 982 N LEU A 43 19.743 9.709 -19.923 1.00 0.00 N ATOM 983 CA LEU A 43 19.449 10.972 -20.660 1.00 0.00 C ATOM 984 C LEU A 43 18.157 10.815 -21.474 1.00 0.00 C ATOM 985 O LEU A 43 18.026 9.894 -22.280 1.00 0.00 O ATOM 986 CB LEU A 43 20.610 11.291 -21.605 1.00 0.00 C ATOM 987 CG LEU A 43 21.719 12.002 -20.828 1.00 0.00 C ATOM 988 CD1 LEU A 43 22.688 10.966 -20.258 1.00 0.00 C ATOM 989 CD2 LEU A 43 22.474 12.946 -21.767 1.00 0.00 C ATOM 0 H LEU A 43 19.773 8.866 -20.497 1.00 0.00 H new ATOM 0 HA LEU A 43 19.324 11.784 -19.944 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.994 10.373 -22.050 1.00 0.00 H new ATOM 0 HB3 LEU A 43 20.264 11.921 -22.424 1.00 0.00 H new ATOM 0 HG LEU A 43 21.281 12.576 -20.011 1.00 0.00 H new ATOM 0 HD11 LEU A 43 23.478 11.473 -19.704 1.00 0.00 H new ATOM 0 HD12 LEU A 43 22.150 10.294 -19.589 1.00 0.00 H new ATOM 0 HD13 LEU A 43 23.127 10.391 -21.073 1.00 0.00 H new ATOM 0 HD21 LEU A 43 23.265 13.453 -21.214 1.00 0.00 H new ATOM 0 HD22 LEU A 43 22.913 12.373 -22.584 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.783 13.685 -22.173 1.00 0.00 H new ATOM 990 N VAL A 44 17.199 11.698 -21.288 1.00 0.00 N ATOM 991 CA VAL A 44 15.926 11.596 -22.058 1.00 0.00 C ATOM 992 C VAL A 44 15.607 12.963 -22.682 1.00 0.00 C ATOM 993 O VAL A 44 15.784 14.000 -22.045 1.00 0.00 O ATOM 994 CB VAL A 44 14.790 11.188 -21.117 1.00 0.00 C ATOM 995 CG1 VAL A 44 15.043 9.772 -20.596 1.00 0.00 C ATOM 996 CG2 VAL A 44 14.731 12.160 -19.938 1.00 0.00 C ATOM 0 H VAL A 44 17.249 12.481 -20.636 1.00 0.00 H new ATOM 0 HA VAL A 44 16.030 10.847 -22.843 1.00 0.00 H new ATOM 0 HB VAL A 44 13.844 11.213 -21.658 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.234 9.481 -19.926 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.086 9.078 -21.435 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.989 9.747 -20.055 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.922 11.870 -19.267 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.677 12.134 -19.398 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.552 13.170 -20.307 1.00 0.00 H new ATOM 997 N SER A 45 15.146 12.996 -23.915 1.00 0.00 N ATOM 998 CA SER A 45 14.832 14.308 -24.552 1.00 0.00 C ATOM 999 C SER A 45 13.404 14.287 -25.114 1.00 0.00 C ATOM 1000 O SER A 45 12.803 13.225 -25.272 1.00 0.00 O ATOM 1001 CB SER A 45 15.823 14.573 -25.687 1.00 0.00 C ATOM 1002 OG SER A 45 17.129 14.204 -25.266 1.00 0.00 O ATOM 0 H SER A 45 14.977 12.176 -24.498 1.00 0.00 H new ATOM 0 HA SER A 45 14.911 15.098 -23.805 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.540 14.004 -26.573 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.802 15.627 -25.965 1.00 0.00 H new ATOM 0 HG SER A 45 17.766 14.371 -25.992 1.00 0.00 H new ATOM 1003 N ARG A 46 12.844 15.438 -25.424 1.00 0.00 N ATOM 1004 CA ARG A 46 11.460 15.467 -25.975 1.00 0.00 C ATOM 1005 C ARG A 46 11.442 16.273 -27.283 1.00 0.00 C ATOM 1006 O ARG A 46 10.509 17.033 -27.540 1.00 0.00 O ATOM 1007 CB ARG A 46 10.519 16.123 -24.961 1.00 0.00 C ATOM 1008 CG ARG A 46 9.093 15.622 -25.190 1.00 0.00 C ATOM 1009 CD ARG A 46 8.356 15.546 -23.852 1.00 0.00 C ATOM 1010 NE ARG A 46 7.163 14.663 -23.991 1.00 0.00 N ATOM 1011 CZ ARG A 46 6.016 15.034 -23.495 1.00 0.00 C ATOM 1012 NH1 ARG A 46 5.911 15.301 -22.221 1.00 0.00 N ATOM 1013 NH2 ARG A 46 4.971 15.138 -24.271 1.00 0.00 N ATOM 0 H ARG A 46 13.289 16.350 -25.317 1.00 0.00 H new ATOM 0 HA ARG A 46 11.130 14.447 -26.173 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.840 15.888 -23.946 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.556 17.208 -25.064 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.566 16.292 -25.870 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.113 14.640 -25.662 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.021 15.158 -23.080 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.049 16.543 -23.537 1.00 0.00 H new ATOM 0 HE ARG A 46 7.244 13.768 -24.474 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.727 15.219 -21.614 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.013 15.591 -21.833 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.052 14.929 -25.266 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.074 15.428 -23.882 1.00 0.00 H new ATOM 1014 N SER A 47 12.445 16.123 -28.124 1.00 0.00 N ATOM 1015 CA SER A 47 12.455 16.886 -29.411 1.00 0.00 C ATOM 1016 C SER A 47 11.665 16.092 -30.463 1.00 0.00 C ATOM 1017 O SER A 47 11.468 14.889 -30.316 1.00 0.00 O ATOM 1018 CB SER A 47 13.899 17.088 -29.886 1.00 0.00 C ATOM 1019 OG SER A 47 13.906 17.289 -31.295 1.00 0.00 O ATOM 0 H SER A 47 13.247 15.511 -27.973 1.00 0.00 H new ATOM 0 HA SER A 47 11.995 17.863 -29.264 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.343 17.947 -29.382 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.504 16.219 -29.628 1.00 0.00 H new ATOM 0 HG SER A 47 14.827 17.420 -31.602 1.00 0.00 H new ATOM 1020 N LEU A 48 11.194 16.732 -31.517 1.00 0.00 N ATOM 1021 CA LEU A 48 10.401 15.981 -32.556 1.00 0.00 C ATOM 1022 C LEU A 48 11.142 14.702 -32.982 1.00 0.00 C ATOM 1023 O LEU A 48 10.519 13.676 -33.246 1.00 0.00 O ATOM 1024 CB LEU A 48 10.174 16.858 -33.792 1.00 0.00 C ATOM 1025 CG LEU A 48 9.208 16.165 -34.754 1.00 0.00 C ATOM 1026 CD1 LEU A 48 8.290 17.212 -35.390 1.00 0.00 C ATOM 1027 CD2 LEU A 48 10.000 15.448 -35.850 1.00 0.00 C ATOM 0 H LEU A 48 11.322 17.727 -31.701 1.00 0.00 H new ATOM 0 HA LEU A 48 9.440 15.714 -32.115 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.771 17.825 -33.493 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.124 17.049 -34.292 1.00 0.00 H new ATOM 0 HG LEU A 48 8.610 15.437 -34.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.600 16.722 -36.077 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.725 17.722 -34.610 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.891 17.939 -35.937 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.310 14.955 -36.534 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.599 16.174 -36.400 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.656 14.704 -35.398 1.00 0.00 H new ATOM 1028 N LYS A 49 12.454 14.737 -33.061 1.00 0.00 N ATOM 1029 CA LYS A 49 13.204 13.514 -33.476 1.00 0.00 C ATOM 1030 C LYS A 49 13.606 12.683 -32.241 1.00 0.00 C ATOM 1031 O LYS A 49 13.725 11.462 -32.329 1.00 0.00 O ATOM 1032 CB LYS A 49 14.466 13.920 -34.248 1.00 0.00 C ATOM 1033 CG LYS A 49 14.712 12.929 -35.389 1.00 0.00 C ATOM 1034 CD LYS A 49 15.243 13.678 -36.614 1.00 0.00 C ATOM 1035 CE LYS A 49 16.772 13.674 -36.593 1.00 0.00 C ATOM 1036 NZ LYS A 49 17.277 12.538 -37.415 1.00 0.00 N ATOM 0 H LYS A 49 13.030 15.554 -32.857 1.00 0.00 H new ATOM 0 HA LYS A 49 12.559 12.910 -34.114 1.00 0.00 H new ATOM 0 HB2 LYS A 49 14.352 14.928 -34.647 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.325 13.938 -33.577 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.428 12.169 -35.076 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.787 12.411 -35.640 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.880 13.206 -37.527 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.872 14.703 -36.616 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.154 14.617 -36.983 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.132 13.584 -35.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 18.317 12.535 -37.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.923 11.642 -37.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.944 12.644 -38.395 1.00 0.00 H new ATOM 1037 N MET A 50 13.835 13.303 -31.099 1.00 0.00 N ATOM 1038 CA MET A 50 14.243 12.513 -29.899 1.00 0.00 C ATOM 1039 C MET A 50 13.082 12.410 -28.895 1.00 0.00 C ATOM 1040 O MET A 50 13.297 12.489 -27.686 1.00 0.00 O ATOM 1041 CB MET A 50 15.434 13.199 -29.227 1.00 0.00 C ATOM 1042 CG MET A 50 16.561 13.381 -30.246 1.00 0.00 C ATOM 1043 SD MET A 50 18.015 14.076 -29.422 1.00 0.00 S ATOM 1044 CE MET A 50 19.048 12.593 -29.499 1.00 0.00 C ATOM 0 H MET A 50 13.756 14.310 -30.954 1.00 0.00 H new ATOM 0 HA MET A 50 14.518 11.508 -30.217 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.131 14.167 -28.827 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.784 12.601 -28.385 1.00 0.00 H new ATOM 0 HG2 MET A 50 16.812 12.423 -30.702 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.235 14.041 -31.050 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.014 12.798 -29.038 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.557 11.779 -28.966 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.197 12.307 -30.540 1.00 0.00 H new ATOM 1045 N ARG A 51 11.859 12.227 -29.352 1.00 0.00 N ATOM 1046 CA ARG A 51 10.720 12.112 -28.392 1.00 0.00 C ATOM 1047 C ARG A 51 10.339 10.628 -28.188 1.00 0.00 C ATOM 1048 O ARG A 51 9.163 10.296 -28.053 1.00 0.00 O ATOM 1049 CB ARG A 51 9.518 12.908 -28.928 1.00 0.00 C ATOM 1050 CG ARG A 51 8.892 12.210 -30.145 1.00 0.00 C ATOM 1051 CD ARG A 51 8.335 13.265 -31.101 1.00 0.00 C ATOM 1052 NE ARG A 51 7.408 14.168 -30.362 1.00 0.00 N ATOM 1053 CZ ARG A 51 6.325 13.687 -29.816 1.00 0.00 C ATOM 1054 NH1 ARG A 51 5.336 13.291 -30.570 1.00 0.00 N ATOM 1055 NH2 ARG A 51 6.232 13.597 -28.517 1.00 0.00 N ATOM 0 H ARG A 51 11.608 12.154 -30.338 1.00 0.00 H new ATOM 0 HA ARG A 51 11.018 12.523 -27.427 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.770 13.017 -28.142 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.837 13.913 -29.205 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.639 11.600 -30.653 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.097 11.537 -29.824 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.150 13.842 -31.537 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.809 12.783 -31.925 1.00 0.00 H new ATOM 0 HE ARG A 51 7.620 15.163 -30.283 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.410 13.358 -31.585 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.489 12.915 -30.144 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.006 13.903 -27.928 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.385 13.221 -28.091 1.00 0.00 H new ATOM 1056 N GLY A 52 11.303 9.732 -28.158 1.00 0.00 N ATOM 1057 CA GLY A 52 10.973 8.283 -27.959 1.00 0.00 C ATOM 1058 C GLY A 52 12.271 7.459 -27.878 1.00 0.00 C ATOM 1059 O GLY A 52 12.415 6.439 -28.550 1.00 0.00 O ATOM 0 H GLY A 52 12.296 9.941 -28.262 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.392 8.155 -27.045 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.355 7.925 -28.782 1.00 0.00 H new ATOM 1060 N GLN A 53 13.225 7.888 -27.077 1.00 0.00 N ATOM 1061 CA GLN A 53 14.513 7.130 -26.973 1.00 0.00 C ATOM 1062 C GLN A 53 15.366 7.696 -25.823 1.00 0.00 C ATOM 1063 O GLN A 53 15.197 8.847 -25.424 1.00 0.00 O ATOM 1064 CB GLN A 53 15.285 7.269 -28.290 1.00 0.00 C ATOM 1065 CG GLN A 53 15.402 8.752 -28.676 1.00 0.00 C ATOM 1066 CD GLN A 53 16.881 9.155 -28.753 1.00 0.00 C ATOM 1067 OE1 GLN A 53 17.454 9.317 -29.921 1.00 0.00 O flip ATOM 1068 NE2 GLN A 53 17.533 9.326 -27.726 1.00 0.00 N flip ATOM 0 H GLN A 53 13.165 8.724 -26.496 1.00 0.00 H new ATOM 0 HA GLN A 53 14.298 6.080 -26.775 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.278 6.832 -28.187 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.775 6.718 -29.080 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.918 8.926 -29.637 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.885 9.370 -27.942 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.092 9.201 -26.815 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.516 9.593 -27.784 1.00 0.00 H new ATOM 1069 N ALA A 54 16.276 6.918 -25.277 1.00 0.00 N ATOM 1070 CA ALA A 54 17.115 7.440 -24.159 1.00 0.00 C ATOM 1071 C ALA A 54 18.478 6.732 -24.141 1.00 0.00 C ATOM 1072 O ALA A 54 18.588 5.564 -24.510 1.00 0.00 O ATOM 1073 CB ALA A 54 16.399 7.191 -22.830 1.00 0.00 C ATOM 0 H ALA A 54 16.469 5.956 -25.557 1.00 0.00 H new ATOM 0 HA ALA A 54 17.272 8.509 -24.303 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.009 7.571 -22.011 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.437 7.703 -22.834 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.240 6.121 -22.697 1.00 0.00 H new ATOM 1074 N PHE A 55 19.521 7.410 -23.709 1.00 0.00 N ATOM 1075 CA PHE A 55 20.863 6.763 -23.663 1.00 0.00 C ATOM 1076 C PHE A 55 21.199 6.416 -22.206 1.00 0.00 C ATOM 1077 O PHE A 55 21.286 7.302 -21.357 1.00 0.00 O ATOM 1078 CB PHE A 55 21.920 7.728 -24.206 1.00 0.00 C ATOM 1079 CG PHE A 55 21.527 8.190 -25.588 1.00 0.00 C ATOM 1080 CD1 PHE A 55 20.628 9.253 -25.744 1.00 0.00 C ATOM 1081 CD2 PHE A 55 22.065 7.558 -26.715 1.00 0.00 C ATOM 1082 CE1 PHE A 55 20.269 9.683 -27.026 1.00 0.00 C ATOM 1083 CE2 PHE A 55 21.706 7.989 -27.998 1.00 0.00 C ATOM 1084 CZ PHE A 55 20.808 9.052 -28.154 1.00 0.00 C ATOM 0 H PHE A 55 19.494 8.378 -23.389 1.00 0.00 H new ATOM 0 HA PHE A 55 20.853 5.858 -24.271 1.00 0.00 H new ATOM 0 HB2 PHE A 55 22.019 8.585 -23.540 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.892 7.236 -24.240 1.00 0.00 H new ATOM 0 HD1 PHE A 55 20.212 9.741 -24.875 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.757 6.738 -26.595 1.00 0.00 H new ATOM 0 HE1 PHE A 55 19.576 10.502 -27.146 1.00 0.00 H new ATOM 0 HE2 PHE A 55 22.122 7.501 -28.867 1.00 0.00 H new ATOM 0 HZ PHE A 55 20.531 9.385 -29.143 1.00 0.00 H new ATOM 1085 N VAL A 56 21.387 5.154 -21.888 1.00 0.00 N ATOM 1086 CA VAL A 56 21.710 4.789 -20.478 1.00 0.00 C ATOM 1087 C VAL A 56 23.225 4.598 -20.331 1.00 0.00 C ATOM 1088 O VAL A 56 23.846 3.881 -21.112 1.00 0.00 O ATOM 1089 CB VAL A 56 20.992 3.493 -20.101 1.00 0.00 C ATOM 1090 CG1 VAL A 56 21.209 3.201 -18.615 1.00 0.00 C ATOM 1091 CG2 VAL A 56 19.494 3.643 -20.378 1.00 0.00 C ATOM 0 H VAL A 56 21.330 4.372 -22.540 1.00 0.00 H new ATOM 0 HA VAL A 56 21.379 5.589 -19.816 1.00 0.00 H new ATOM 0 HB VAL A 56 21.392 2.670 -20.694 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.697 2.277 -18.347 1.00 0.00 H new ATOM 0 HG12 VAL A 56 22.276 3.095 -18.417 1.00 0.00 H new ATOM 0 HG13 VAL A 56 20.809 4.023 -18.021 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.980 2.720 -20.110 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.095 4.466 -19.785 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.339 3.850 -21.437 1.00 0.00 H new ATOM 1092 N ILE A 57 23.836 5.218 -19.346 1.00 0.00 N ATOM 1093 CA ILE A 57 25.306 5.057 -19.164 1.00 0.00 C ATOM 1094 C ILE A 57 25.564 4.339 -17.835 1.00 0.00 C ATOM 1095 O ILE A 57 24.866 4.576 -16.849 1.00 0.00 O ATOM 1096 CB ILE A 57 25.976 6.433 -19.140 1.00 0.00 C ATOM 1097 CG1 ILE A 57 25.581 7.220 -20.395 1.00 0.00 C ATOM 1098 CG2 ILE A 57 27.494 6.257 -19.109 1.00 0.00 C ATOM 1099 CD1 ILE A 57 25.749 8.719 -20.135 1.00 0.00 C ATOM 0 H ILE A 57 23.378 5.825 -18.666 1.00 0.00 H new ATOM 0 HA ILE A 57 25.718 4.474 -19.988 1.00 0.00 H new ATOM 0 HB ILE A 57 25.652 6.978 -18.254 1.00 0.00 H new ATOM 0 HG12 ILE A 57 26.201 6.915 -21.238 1.00 0.00 H new ATOM 0 HG13 ILE A 57 24.548 7.001 -20.664 1.00 0.00 H new ATOM 0 HG21 ILE A 57 27.973 7.236 -19.092 1.00 0.00 H new ATOM 0 HG22 ILE A 57 27.777 5.698 -18.217 1.00 0.00 H new ATOM 0 HG23 ILE A 57 27.815 5.711 -19.996 1.00 0.00 H new ATOM 0 HD11 ILE A 57 25.468 9.277 -21.028 1.00 0.00 H new ATOM 0 HD12 ILE A 57 25.110 9.018 -19.304 1.00 0.00 H new ATOM 0 HD13 ILE A 57 26.789 8.931 -19.887 1.00 0.00 H new ATOM 1100 N PHE A 58 26.544 3.464 -17.775 1.00 0.00 N ATOM 1101 CA PHE A 58 26.814 2.748 -16.498 1.00 0.00 C ATOM 1102 C PHE A 58 28.221 3.097 -15.999 1.00 0.00 C ATOM 1103 O PHE A 58 29.116 3.389 -16.789 1.00 0.00 O ATOM 1104 CB PHE A 58 26.701 1.240 -16.721 1.00 0.00 C ATOM 1105 CG PHE A 58 25.325 0.923 -17.249 1.00 0.00 C ATOM 1106 CD1 PHE A 58 25.000 1.236 -18.574 1.00 0.00 C ATOM 1107 CD2 PHE A 58 24.370 0.324 -16.417 1.00 0.00 C ATOM 1108 CE1 PHE A 58 23.725 0.952 -19.068 1.00 0.00 C ATOM 1109 CE2 PHE A 58 23.093 0.040 -16.912 1.00 0.00 C ATOM 1110 CZ PHE A 58 22.770 0.353 -18.238 1.00 0.00 C ATOM 0 H PHE A 58 27.160 3.221 -18.551 1.00 0.00 H new ATOM 0 HA PHE A 58 26.083 3.055 -15.750 1.00 0.00 H new ATOM 0 HB2 PHE A 58 27.461 0.906 -17.427 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.878 0.707 -15.787 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.736 1.698 -19.215 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.620 0.082 -15.395 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.476 1.195 -20.090 1.00 0.00 H new ATOM 0 HE2 PHE A 58 22.356 -0.421 -16.271 1.00 0.00 H new ATOM 0 HZ PHE A 58 21.784 0.132 -18.620 1.00 0.00 H new ATOM 1111 N LYS A 59 28.444 3.075 -14.700 1.00 0.00 N ATOM 1112 CA LYS A 59 29.808 3.413 -14.166 1.00 0.00 C ATOM 1113 C LYS A 59 30.874 2.585 -14.902 1.00 0.00 C ATOM 1114 O LYS A 59 31.953 3.084 -15.217 1.00 0.00 O ATOM 1115 CB LYS A 59 29.881 3.103 -12.664 1.00 0.00 C ATOM 1116 CG LYS A 59 31.185 3.659 -12.089 1.00 0.00 C ATOM 1117 CD LYS A 59 31.592 2.840 -10.863 1.00 0.00 C ATOM 1118 CE LYS A 59 30.874 3.380 -9.624 1.00 0.00 C ATOM 1119 NZ LYS A 59 31.681 4.480 -9.022 1.00 0.00 N ATOM 0 H LYS A 59 27.747 2.840 -13.993 1.00 0.00 H new ATOM 0 HA LYS A 59 29.991 4.476 -14.325 1.00 0.00 H new ATOM 0 HB2 LYS A 59 29.027 3.544 -12.149 1.00 0.00 H new ATOM 0 HB3 LYS A 59 29.830 2.026 -12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 59 31.972 3.622 -12.842 1.00 0.00 H new ATOM 0 HG3 LYS A 59 31.056 4.706 -11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 59 31.339 1.791 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.672 2.891 -10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 59 29.884 3.747 -9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 59 30.729 2.581 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 31.194 4.847 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 32.616 4.115 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 31.797 5.246 -9.716 1.00 0.00 H new ATOM 1120 N GLU A 60 30.598 1.329 -15.190 1.00 0.00 N ATOM 1121 CA GLU A 60 31.598 0.495 -15.907 1.00 0.00 C ATOM 1122 C GLU A 60 31.027 0.071 -17.267 1.00 0.00 C ATOM 1123 O GLU A 60 29.878 0.372 -17.589 1.00 0.00 O ATOM 1124 CB GLU A 60 31.914 -0.750 -15.074 1.00 0.00 C ATOM 1125 CG GLU A 60 32.484 -0.326 -13.718 1.00 0.00 C ATOM 1126 CD GLU A 60 33.103 -1.538 -13.021 1.00 0.00 C ATOM 1127 OE1 GLU A 60 33.971 -2.159 -13.613 1.00 0.00 O ATOM 1128 OE2 GLU A 60 32.697 -1.828 -11.907 1.00 0.00 O ATOM 0 H GLU A 60 29.725 0.856 -14.957 1.00 0.00 H new ATOM 0 HA GLU A 60 32.511 1.070 -16.060 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.011 -1.344 -14.931 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.630 -1.381 -15.600 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.236 0.451 -13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 60 31.695 0.100 -13.098 1.00 0.00 H new ATOM 1129 N VAL A 61 31.798 -0.620 -18.078 1.00 0.00 N ATOM 1130 CA VAL A 61 31.280 -1.053 -19.411 1.00 0.00 C ATOM 1131 C VAL A 61 30.579 -2.416 -19.286 1.00 0.00 C ATOM 1132 O VAL A 61 29.591 -2.674 -19.967 1.00 0.00 O ATOM 1133 CB VAL A 61 32.437 -1.165 -20.410 1.00 0.00 C ATOM 1134 CG1 VAL A 61 31.881 -1.450 -21.806 1.00 0.00 C ATOM 1135 CG2 VAL A 61 33.219 0.151 -20.433 1.00 0.00 C ATOM 0 H VAL A 61 32.757 -0.900 -17.873 1.00 0.00 H new ATOM 0 HA VAL A 61 30.565 -0.311 -19.767 1.00 0.00 H new ATOM 0 HB VAL A 61 33.099 -1.978 -20.110 1.00 0.00 H new ATOM 0 HG11 VAL A 61 32.704 -1.530 -22.516 1.00 0.00 H new ATOM 0 HG12 VAL A 61 31.323 -2.386 -21.791 1.00 0.00 H new ATOM 0 HG13 VAL A 61 31.219 -0.638 -22.107 1.00 0.00 H new ATOM 0 HG21 VAL A 61 34.042 0.073 -21.143 1.00 0.00 H new ATOM 0 HG22 VAL A 61 32.556 0.963 -20.734 1.00 0.00 H new ATOM 0 HG23 VAL A 61 33.616 0.356 -19.439 1.00 0.00 H new ATOM 1136 N SER A 62 31.066 -3.299 -18.439 1.00 0.00 N ATOM 1137 CA SER A 62 30.406 -4.641 -18.299 1.00 0.00 C ATOM 1138 C SER A 62 28.934 -4.470 -17.884 1.00 0.00 C ATOM 1139 O SER A 62 28.075 -5.240 -18.306 1.00 0.00 O ATOM 1140 CB SER A 62 31.131 -5.481 -17.239 1.00 0.00 C ATOM 1141 OG SER A 62 30.756 -5.029 -15.945 1.00 0.00 O ATOM 0 H SER A 62 31.882 -3.150 -17.846 1.00 0.00 H new ATOM 0 HA SER A 62 30.456 -5.149 -19.262 1.00 0.00 H new ATOM 0 HB2 SER A 62 30.877 -6.534 -17.357 1.00 0.00 H new ATOM 0 HB3 SER A 62 32.210 -5.397 -17.368 1.00 0.00 H new ATOM 0 HG SER A 62 31.216 -5.565 -15.265 1.00 0.00 H new ATOM 1142 N SER A 63 28.616 -3.492 -17.060 1.00 0.00 N ATOM 1143 CA SER A 63 27.186 -3.312 -16.632 1.00 0.00 C ATOM 1144 C SER A 63 26.301 -3.004 -17.855 1.00 0.00 C ATOM 1145 O SER A 63 25.167 -3.478 -17.943 1.00 0.00 O ATOM 1146 CB SER A 63 27.071 -2.159 -15.627 1.00 0.00 C ATOM 1147 OG SER A 63 28.168 -2.214 -14.723 1.00 0.00 O ATOM 0 H SER A 63 29.276 -2.819 -16.670 1.00 0.00 H new ATOM 0 HA SER A 63 26.851 -4.236 -16.162 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.064 -1.203 -16.151 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.130 -2.230 -15.081 1.00 0.00 H new ATOM 0 HG SER A 63 28.099 -1.478 -14.080 1.00 0.00 H new ATOM 1148 N ALA A 64 26.788 -2.235 -18.805 1.00 0.00 N ATOM 1149 CA ALA A 64 25.955 -1.927 -20.009 1.00 0.00 C ATOM 1150 C ALA A 64 25.853 -3.175 -20.898 1.00 0.00 C ATOM 1151 O ALA A 64 24.884 -3.333 -21.640 1.00 0.00 O ATOM 1152 CB ALA A 64 26.579 -0.775 -20.813 1.00 0.00 C ATOM 0 H ALA A 64 27.717 -1.813 -18.797 1.00 0.00 H new ATOM 0 HA ALA A 64 24.960 -1.628 -19.679 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.961 -0.564 -21.685 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.639 0.115 -20.187 1.00 0.00 H new ATOM 0 HB3 ALA A 64 27.580 -1.058 -21.138 1.00 0.00 H new ATOM 1153 N THR A 65 26.823 -4.070 -20.850 1.00 0.00 N ATOM 1154 CA THR A 65 26.736 -5.287 -21.708 1.00 0.00 C ATOM 1155 C THR A 65 25.610 -6.203 -21.201 1.00 0.00 C ATOM 1156 O THR A 65 24.909 -6.825 -21.996 1.00 0.00 O ATOM 1157 CB THR A 65 28.064 -6.057 -21.695 1.00 0.00 C ATOM 1158 OG1 THR A 65 29.131 -5.163 -21.985 1.00 0.00 O ATOM 1159 CG2 THR A 65 28.022 -7.165 -22.748 1.00 0.00 C ATOM 0 H THR A 65 27.654 -4.005 -20.262 1.00 0.00 H new ATOM 0 HA THR A 65 26.522 -4.972 -22.729 1.00 0.00 H new ATOM 0 HB THR A 65 28.219 -6.500 -20.711 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.980 -5.653 -21.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 28.965 -7.712 -22.739 1.00 0.00 H new ATOM 0 HG22 THR A 65 27.204 -7.849 -22.524 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.867 -6.725 -23.733 1.00 0.00 H new ATOM 1160 N ASN A 66 25.413 -6.301 -19.902 1.00 0.00 N ATOM 1161 CA ASN A 66 24.317 -7.182 -19.385 1.00 0.00 C ATOM 1162 C ASN A 66 22.963 -6.540 -19.721 1.00 0.00 C ATOM 1163 O ASN A 66 22.029 -7.223 -20.137 1.00 0.00 O ATOM 1164 CB ASN A 66 24.437 -7.348 -17.863 1.00 0.00 C ATOM 1165 CG ASN A 66 25.750 -8.066 -17.527 1.00 0.00 C ATOM 1166 OD1 ASN A 66 25.901 -9.251 -17.814 1.00 0.00 O ATOM 1167 ND2 ASN A 66 26.717 -7.414 -16.929 1.00 0.00 N ATOM 0 H ASN A 66 25.957 -5.815 -19.189 1.00 0.00 H new ATOM 0 HA ASN A 66 24.396 -8.164 -19.852 1.00 0.00 H new ATOM 0 HB2 ASN A 66 24.409 -6.373 -17.377 1.00 0.00 H new ATOM 0 HB3 ASN A 66 23.590 -7.919 -17.481 1.00 0.00 H new ATOM 0 HD21 ASN A 66 27.590 -7.891 -16.704 1.00 0.00 H new ATOM 0 HD22 ASN A 66 26.596 -6.430 -16.689 1.00 0.00 H new ATOM 1168 N ALA A 67 22.834 -5.238 -19.560 1.00 0.00 N ATOM 1169 CA ALA A 67 21.529 -4.574 -19.886 1.00 0.00 C ATOM 1170 C ALA A 67 21.137 -4.886 -21.342 1.00 0.00 C ATOM 1171 O ALA A 67 19.964 -5.099 -21.645 1.00 0.00 O ATOM 1172 CB ALA A 67 21.651 -3.052 -19.718 1.00 0.00 C ATOM 0 H ALA A 67 23.568 -4.616 -19.221 1.00 0.00 H new ATOM 0 HA ALA A 67 20.766 -4.953 -19.206 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.697 -2.582 -19.958 1.00 0.00 H new ATOM 0 HB2 ALA A 67 21.921 -2.820 -18.688 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.421 -2.672 -20.389 1.00 0.00 H new ATOM 1173 N LEU A 68 22.088 -4.913 -22.252 1.00 0.00 N ATOM 1174 CA LEU A 68 21.745 -5.209 -23.682 1.00 0.00 C ATOM 1175 C LEU A 68 21.370 -6.693 -23.847 1.00 0.00 C ATOM 1176 O LEU A 68 20.520 -7.033 -24.669 1.00 0.00 O ATOM 1177 CB LEU A 68 22.940 -4.884 -24.589 1.00 0.00 C ATOM 1178 CG LEU A 68 22.439 -4.463 -25.978 1.00 0.00 C ATOM 1179 CD1 LEU A 68 23.211 -3.228 -26.451 1.00 0.00 C ATOM 1180 CD2 LEU A 68 22.657 -5.607 -26.973 1.00 0.00 C ATOM 0 H LEU A 68 23.077 -4.744 -22.067 1.00 0.00 H new ATOM 0 HA LEU A 68 20.894 -4.590 -23.967 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.535 -4.084 -24.149 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.590 -5.755 -24.675 1.00 0.00 H new ATOM 0 HG LEU A 68 21.376 -4.229 -25.919 1.00 0.00 H new ATOM 0 HD11 LEU A 68 22.854 -2.931 -27.437 1.00 0.00 H new ATOM 0 HD12 LEU A 68 23.056 -2.410 -25.747 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.274 -3.462 -26.506 1.00 0.00 H new ATOM 0 HD21 LEU A 68 22.301 -5.305 -27.958 1.00 0.00 H new ATOM 0 HD22 LEU A 68 23.720 -5.843 -27.028 1.00 0.00 H new ATOM 0 HD23 LEU A 68 22.106 -6.487 -26.642 1.00 0.00 H new ATOM 1181 N ARG A 69 21.979 -7.589 -23.095 1.00 0.00 N ATOM 1182 CA ARG A 69 21.637 -9.035 -23.236 1.00 0.00 C ATOM 1183 C ARG A 69 20.560 -9.409 -22.205 1.00 0.00 C ATOM 1184 O ARG A 69 20.748 -10.316 -21.395 1.00 0.00 O ATOM 1185 CB ARG A 69 22.889 -9.889 -23.011 1.00 0.00 C ATOM 1186 CG ARG A 69 23.992 -9.424 -23.961 1.00 0.00 C ATOM 1187 CD ARG A 69 25.335 -9.997 -23.507 1.00 0.00 C ATOM 1188 NE ARG A 69 25.321 -11.479 -23.661 1.00 0.00 N ATOM 1189 CZ ARG A 69 25.661 -12.244 -22.660 1.00 0.00 C ATOM 1190 NH1 ARG A 69 24.799 -12.507 -21.717 1.00 0.00 N ATOM 1191 NH2 ARG A 69 26.866 -12.744 -22.601 1.00 0.00 N ATOM 0 H ARG A 69 22.692 -7.377 -22.397 1.00 0.00 H new ATOM 0 HA ARG A 69 21.256 -9.220 -24.240 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.222 -9.801 -21.977 1.00 0.00 H new ATOM 0 HB3 ARG A 69 22.662 -10.941 -23.185 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.771 -9.749 -24.978 1.00 0.00 H new ATOM 0 HG3 ARG A 69 24.037 -8.335 -23.977 1.00 0.00 H new ATOM 0 HD2 ARG A 69 26.144 -9.567 -24.097 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.523 -9.731 -22.467 1.00 0.00 H new ATOM 0 HE ARG A 69 25.045 -11.896 -24.550 1.00 0.00 H new ATOM 0 HH11 ARG A 69 23.859 -12.115 -21.762 1.00 0.00 H new ATOM 0 HH12 ARG A 69 25.065 -13.105 -20.935 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.541 -12.536 -23.337 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.132 -13.342 -21.819 1.00 0.00 H new ATOM 1192 N SER A 70 19.434 -8.732 -22.218 1.00 0.00 N ATOM 1193 CA SER A 70 18.355 -9.053 -21.242 1.00 0.00 C ATOM 1194 C SER A 70 16.988 -8.858 -21.916 1.00 0.00 C ATOM 1195 O SER A 70 16.204 -9.799 -22.035 1.00 0.00 O ATOM 1196 CB SER A 70 18.467 -8.126 -20.031 1.00 0.00 C ATOM 1197 OG SER A 70 17.173 -7.913 -19.480 1.00 0.00 O ATOM 0 H SER A 70 19.221 -7.972 -22.864 1.00 0.00 H new ATOM 0 HA SER A 70 18.456 -10.087 -20.913 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.126 -8.565 -19.282 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.910 -7.175 -20.326 1.00 0.00 H new ATOM 0 HG SER A 70 17.181 -7.102 -18.930 1.00 0.00 H new ATOM 1198 N MET A 71 16.685 -7.659 -22.370 1.00 0.00 N ATOM 1199 CA MET A 71 15.374 -7.427 -23.039 1.00 0.00 C ATOM 1200 C MET A 71 15.604 -7.160 -24.536 1.00 0.00 C ATOM 1201 O MET A 71 14.947 -6.307 -25.129 1.00 0.00 O ATOM 1202 CB MET A 71 14.684 -6.213 -22.408 1.00 0.00 C ATOM 1203 CG MET A 71 14.573 -6.403 -20.890 1.00 0.00 C ATOM 1204 SD MET A 71 12.829 -6.542 -20.428 1.00 0.00 S ATOM 1205 CE MET A 71 12.322 -4.886 -20.953 1.00 0.00 C ATOM 0 H MET A 71 17.290 -6.841 -22.303 1.00 0.00 H new ATOM 0 HA MET A 71 14.744 -8.308 -22.917 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.249 -5.308 -22.629 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.692 -6.083 -22.840 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.114 -7.298 -20.584 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.032 -5.561 -20.372 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.584 -4.493 -20.254 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.191 -4.228 -20.971 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.885 -4.938 -21.950 1.00 0.00 H new ATOM 1206 N GLN A 72 16.521 -7.868 -25.165 1.00 0.00 N ATOM 1207 CA GLN A 72 16.770 -7.632 -26.627 1.00 0.00 C ATOM 1208 C GLN A 72 15.456 -7.824 -27.399 1.00 0.00 C ATOM 1209 O GLN A 72 14.937 -8.936 -27.490 1.00 0.00 O ATOM 1210 CB GLN A 72 17.818 -8.622 -27.159 1.00 0.00 C ATOM 1211 CG GLN A 72 19.188 -7.940 -27.221 1.00 0.00 C ATOM 1212 CD GLN A 72 19.461 -7.467 -28.655 1.00 0.00 C ATOM 1213 OE1 GLN A 72 19.528 -8.279 -29.575 1.00 0.00 O ATOM 1214 NE2 GLN A 72 19.625 -6.189 -28.902 1.00 0.00 N ATOM 0 H GLN A 72 17.100 -8.589 -24.734 1.00 0.00 H new ATOM 0 HA GLN A 72 17.142 -6.617 -26.764 1.00 0.00 H new ATOM 0 HB2 GLN A 72 17.866 -9.498 -26.512 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.531 -8.973 -28.150 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.215 -7.093 -26.536 1.00 0.00 H new ATOM 0 HG3 GLN A 72 19.966 -8.633 -26.901 1.00 0.00 H new ATOM 0 HE21 GLN A 72 19.570 -5.511 -28.142 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.807 -5.873 -29.855 1.00 0.00 H new ATOM 1215 N GLY A 73 14.899 -6.768 -27.952 1.00 0.00 N ATOM 1216 CA GLY A 73 13.619 -6.913 -28.702 1.00 0.00 C ATOM 1217 C GLY A 73 12.526 -7.381 -27.733 1.00 0.00 C ATOM 1218 O GLY A 73 11.987 -8.478 -27.874 1.00 0.00 O ATOM 0 H GLY A 73 15.277 -5.821 -27.914 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.338 -5.963 -29.156 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.737 -7.632 -29.513 1.00 0.00 H new ATOM 1219 N PHE A 74 12.188 -6.580 -26.742 1.00 0.00 N ATOM 1220 CA PHE A 74 11.136 -7.006 -25.773 1.00 0.00 C ATOM 1221 C PHE A 74 10.151 -5.848 -25.532 1.00 0.00 C ATOM 1222 O PHE A 74 10.437 -4.711 -25.901 1.00 0.00 O ATOM 1223 CB PHE A 74 11.794 -7.398 -24.446 1.00 0.00 C ATOM 1224 CG PHE A 74 11.901 -8.903 -24.358 1.00 0.00 C ATOM 1225 CD1 PHE A 74 12.691 -9.602 -25.277 1.00 0.00 C ATOM 1226 CD2 PHE A 74 11.212 -9.597 -23.356 1.00 0.00 C ATOM 1227 CE1 PHE A 74 12.791 -10.996 -25.196 1.00 0.00 C ATOM 1228 CE2 PHE A 74 11.313 -10.991 -23.275 1.00 0.00 C ATOM 1229 CZ PHE A 74 12.103 -11.691 -24.195 1.00 0.00 C ATOM 0 H PHE A 74 12.594 -5.661 -26.569 1.00 0.00 H new ATOM 0 HA PHE A 74 10.596 -7.860 -26.181 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.784 -6.948 -24.373 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.207 -7.016 -23.611 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.224 -9.066 -26.049 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.603 -9.057 -22.646 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.400 -11.535 -25.907 1.00 0.00 H new ATOM 0 HE2 PHE A 74 10.781 -11.527 -22.503 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.181 -12.766 -24.132 1.00 0.00 H new ATOM 1230 N PRO A 75 9.013 -6.147 -24.926 1.00 0.00 N ATOM 1231 CA PRO A 75 7.989 -5.126 -24.642 1.00 0.00 C ATOM 1232 C PRO A 75 8.382 -4.290 -23.412 1.00 0.00 C ATOM 1233 O PRO A 75 8.610 -4.829 -22.331 1.00 0.00 O ATOM 1234 CB PRO A 75 6.725 -5.944 -24.364 1.00 0.00 C ATOM 1235 CG PRO A 75 7.200 -7.354 -23.943 1.00 0.00 C ATOM 1236 CD PRO A 75 8.639 -7.510 -24.468 1.00 0.00 C ATOM 0 HA PRO A 75 7.860 -4.417 -25.460 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.130 -5.483 -23.575 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.093 -5.996 -25.251 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.169 -7.465 -22.859 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.550 -8.122 -24.361 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.311 -7.865 -23.687 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.689 -8.231 -25.284 1.00 0.00 H new ATOM 1237 N PHE A 76 8.460 -2.984 -23.550 1.00 0.00 N ATOM 1238 CA PHE A 76 8.831 -2.130 -22.383 1.00 0.00 C ATOM 1239 C PHE A 76 7.762 -1.045 -22.192 1.00 0.00 C ATOM 1240 O PHE A 76 7.126 -0.966 -21.142 1.00 0.00 O ATOM 1241 CB PHE A 76 10.190 -1.471 -22.639 1.00 0.00 C ATOM 1242 CG PHE A 76 10.705 -0.866 -21.354 1.00 0.00 C ATOM 1243 CD1 PHE A 76 10.834 -1.662 -20.210 1.00 0.00 C ATOM 1244 CD2 PHE A 76 11.053 0.491 -21.305 1.00 0.00 C ATOM 1245 CE1 PHE A 76 11.310 -1.104 -19.018 1.00 0.00 C ATOM 1246 CE2 PHE A 76 11.529 1.048 -20.113 1.00 0.00 C ATOM 1247 CZ PHE A 76 11.658 0.251 -18.970 1.00 0.00 C ATOM 0 H PHE A 76 8.283 -2.479 -24.418 1.00 0.00 H new ATOM 0 HA PHE A 76 8.894 -2.745 -21.485 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.899 -2.208 -23.016 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.094 -0.700 -23.404 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.566 -2.708 -20.247 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.954 1.106 -22.187 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.409 -1.719 -18.135 1.00 0.00 H new ATOM 0 HE2 PHE A 76 11.797 2.094 -20.075 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.026 0.682 -18.050 1.00 0.00 H new ATOM 1248 N TYR A 77 7.546 -0.204 -23.182 1.00 0.00 N ATOM 1249 CA TYR A 77 6.518 0.862 -23.044 1.00 0.00 C ATOM 1250 C TYR A 77 5.315 0.528 -23.940 1.00 0.00 C ATOM 1251 O TYR A 77 4.986 1.276 -24.860 1.00 0.00 O ATOM 1252 CB TYR A 77 7.122 2.204 -23.468 1.00 0.00 C ATOM 1253 CG TYR A 77 7.632 2.950 -22.255 1.00 0.00 C ATOM 1254 CD1 TYR A 77 8.414 2.291 -21.296 1.00 0.00 C ATOM 1255 CD2 TYR A 77 7.327 4.305 -22.094 1.00 0.00 C ATOM 1256 CE1 TYR A 77 8.888 2.990 -20.181 1.00 0.00 C ATOM 1257 CE2 TYR A 77 7.800 5.005 -20.978 1.00 0.00 C ATOM 1258 CZ TYR A 77 8.582 4.347 -20.021 1.00 0.00 C ATOM 1259 OH TYR A 77 9.050 5.035 -18.920 1.00 0.00 O ATOM 0 H TYR A 77 8.040 -0.217 -24.074 1.00 0.00 H new ATOM 0 HA TYR A 77 6.188 0.925 -22.007 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.937 2.039 -24.172 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.371 2.803 -23.984 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.650 1.244 -21.418 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.725 4.813 -22.833 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.491 2.482 -19.443 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.562 6.051 -20.855 1.00 0.00 H new ATOM 0 HH TYR A 77 8.563 5.881 -18.832 1.00 0.00 H new ATOM 1260 N ASP A 78 4.649 -0.582 -23.697 1.00 0.00 N ATOM 1261 CA ASP A 78 3.476 -0.949 -24.543 1.00 0.00 C ATOM 1262 C ASP A 78 3.924 -1.100 -26.005 1.00 0.00 C ATOM 1263 O ASP A 78 3.232 -0.667 -26.924 1.00 0.00 O ATOM 1264 CB ASP A 78 2.410 0.146 -24.443 1.00 0.00 C ATOM 1265 CG ASP A 78 1.373 -0.245 -23.388 1.00 0.00 C ATOM 1266 OD1 ASP A 78 1.697 -0.177 -22.214 1.00 0.00 O ATOM 1267 OD2 ASP A 78 0.273 -0.606 -23.773 1.00 0.00 O ATOM 0 H ASP A 78 4.870 -1.242 -22.952 1.00 0.00 H new ATOM 0 HA ASP A 78 3.058 -1.893 -24.194 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.874 1.096 -24.178 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.926 0.286 -25.409 1.00 0.00 H new ATOM 1268 N LYS A 79 5.068 -1.707 -26.247 1.00 0.00 N ATOM 1269 CA LYS A 79 5.540 -1.875 -27.662 1.00 0.00 C ATOM 1270 C LYS A 79 6.903 -2.600 -27.687 1.00 0.00 C ATOM 1271 O LYS A 79 7.599 -2.631 -26.676 1.00 0.00 O ATOM 1272 CB LYS A 79 5.685 -0.493 -28.318 1.00 0.00 C ATOM 1273 CG LYS A 79 4.580 -0.292 -29.360 1.00 0.00 C ATOM 1274 CD LYS A 79 4.195 1.188 -29.419 1.00 0.00 C ATOM 1275 CE LYS A 79 5.262 1.964 -30.192 1.00 0.00 C ATOM 1276 NZ LYS A 79 4.837 3.385 -30.335 1.00 0.00 N ATOM 0 H LYS A 79 5.688 -2.089 -25.533 1.00 0.00 H new ATOM 0 HA LYS A 79 4.811 -2.471 -28.211 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.628 0.287 -27.559 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.663 -0.406 -28.791 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.923 -0.628 -30.338 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.709 -0.895 -29.103 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.225 1.303 -29.903 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.098 1.590 -28.410 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.217 1.910 -29.669 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.411 1.517 -31.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.562 3.913 -30.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.935 3.427 -30.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.716 3.808 -29.393 1.00 0.00 H new ATOM 1277 N PRO A 80 7.267 -3.161 -28.826 1.00 0.00 N ATOM 1278 CA PRO A 80 8.549 -3.877 -28.963 1.00 0.00 C ATOM 1279 C PRO A 80 9.707 -2.875 -29.074 1.00 0.00 C ATOM 1280 O PRO A 80 9.549 -1.791 -29.634 1.00 0.00 O ATOM 1281 CB PRO A 80 8.385 -4.679 -30.257 1.00 0.00 C ATOM 1282 CG PRO A 80 7.282 -3.968 -31.075 1.00 0.00 C ATOM 1283 CD PRO A 80 6.460 -3.136 -30.073 1.00 0.00 C ATOM 0 HA PRO A 80 8.779 -4.514 -28.109 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.321 -4.712 -30.814 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.105 -5.710 -30.042 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.719 -3.329 -31.842 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.650 -4.694 -31.587 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.311 -2.117 -30.430 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.471 -3.566 -29.916 1.00 0.00 H new ATOM 1284 N MET A 81 10.870 -3.205 -28.552 1.00 0.00 N ATOM 1285 CA MET A 81 12.016 -2.254 -28.636 1.00 0.00 C ATOM 1286 C MET A 81 13.336 -3.031 -28.754 1.00 0.00 C ATOM 1287 O MET A 81 13.549 -4.029 -28.063 1.00 0.00 O ATOM 1288 CB MET A 81 12.048 -1.374 -27.383 1.00 0.00 C ATOM 1289 CG MET A 81 11.994 -2.248 -26.127 1.00 0.00 C ATOM 1290 SD MET A 81 12.743 -1.357 -24.741 1.00 0.00 S ATOM 1291 CE MET A 81 13.728 -2.729 -24.092 1.00 0.00 C ATOM 0 H MET A 81 11.068 -4.085 -28.077 1.00 0.00 H new ATOM 0 HA MET A 81 11.892 -1.625 -29.518 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.955 -0.769 -27.376 1.00 0.00 H new ATOM 0 HB3 MET A 81 11.205 -0.684 -27.392 1.00 0.00 H new ATOM 0 HG2 MET A 81 10.961 -2.504 -25.893 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.523 -3.185 -26.300 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.283 -2.395 -23.215 1.00 0.00 H new ATOM 0 HE2 MET A 81 13.068 -3.550 -23.813 1.00 0.00 H new ATOM 0 HE3 MET A 81 14.427 -3.069 -24.856 1.00 0.00 H new ATOM 1292 N ARG A 82 14.233 -2.594 -29.616 1.00 0.00 N ATOM 1293 CA ARG A 82 15.534 -3.303 -29.768 1.00 0.00 C ATOM 1294 C ARG A 82 16.629 -2.494 -29.063 1.00 0.00 C ATOM 1295 O ARG A 82 16.540 -1.271 -28.959 1.00 0.00 O ATOM 1296 CB ARG A 82 15.874 -3.438 -31.254 1.00 0.00 C ATOM 1297 CG ARG A 82 15.033 -4.558 -31.870 1.00 0.00 C ATOM 1298 CD ARG A 82 14.880 -4.315 -33.372 1.00 0.00 C ATOM 1299 NE ARG A 82 16.039 -4.916 -34.092 1.00 0.00 N ATOM 1300 CZ ARG A 82 17.134 -4.226 -34.258 1.00 0.00 C ATOM 1301 NH1 ARG A 82 17.080 -3.033 -34.782 1.00 0.00 N ATOM 1302 NH2 ARG A 82 18.283 -4.730 -33.899 1.00 0.00 N ATOM 0 H ARG A 82 14.112 -1.778 -30.216 1.00 0.00 H new ATOM 0 HA ARG A 82 15.466 -4.296 -29.324 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.680 -2.497 -31.769 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.935 -3.656 -31.377 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.508 -5.523 -31.694 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.053 -4.594 -31.395 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.949 -4.754 -33.729 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.827 -3.245 -33.575 1.00 0.00 H new ATOM 0 HE ARG A 82 15.976 -5.867 -34.455 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.182 -2.639 -35.062 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.936 -2.494 -34.912 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.325 -5.663 -33.489 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.139 -4.191 -34.029 1.00 0.00 H new ATOM 1303 N ILE A 83 17.658 -3.143 -28.566 1.00 0.00 N ATOM 1304 CA ILE A 83 18.738 -2.390 -27.866 1.00 0.00 C ATOM 1305 C ILE A 83 20.033 -2.435 -28.691 1.00 0.00 C ATOM 1306 O ILE A 83 20.403 -3.474 -29.233 1.00 0.00 O ATOM 1307 CB ILE A 83 18.986 -3.015 -26.493 1.00 0.00 C ATOM 1308 CG1 ILE A 83 17.666 -3.071 -25.719 1.00 0.00 C ATOM 1309 CG2 ILE A 83 19.996 -2.163 -25.721 1.00 0.00 C ATOM 1310 CD1 ILE A 83 17.877 -3.817 -24.401 1.00 0.00 C ATOM 0 H ILE A 83 17.792 -4.153 -28.616 1.00 0.00 H new ATOM 0 HA ILE A 83 18.429 -1.352 -27.747 1.00 0.00 H new ATOM 0 HB ILE A 83 19.381 -4.023 -26.614 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.304 -2.062 -25.524 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.904 -3.573 -26.315 1.00 0.00 H new ATOM 0 HG21 ILE A 83 20.174 -2.607 -24.742 1.00 0.00 H new ATOM 0 HG22 ILE A 83 20.934 -2.119 -26.275 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.601 -1.155 -25.596 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.937 -3.856 -23.851 1.00 0.00 H new ATOM 0 HD12 ILE A 83 18.219 -4.831 -24.608 1.00 0.00 H new ATOM 0 HD13 ILE A 83 18.625 -3.296 -23.804 1.00 0.00 H new ATOM 1311 N GLN A 84 20.734 -1.326 -28.795 1.00 0.00 N ATOM 1312 CA GLN A 84 22.005 -1.308 -29.581 1.00 0.00 C ATOM 1313 C GLN A 84 23.011 -0.389 -28.873 1.00 0.00 C ATOM 1314 O GLN A 84 22.656 0.706 -28.440 1.00 0.00 O ATOM 1315 CB GLN A 84 21.744 -0.765 -30.994 1.00 0.00 C ATOM 1316 CG GLN A 84 20.487 -1.410 -31.590 1.00 0.00 C ATOM 1317 CD GLN A 84 19.260 -0.552 -31.249 1.00 0.00 C ATOM 1318 OE1 GLN A 84 18.317 -1.038 -30.630 1.00 0.00 O ATOM 1319 NE2 GLN A 84 19.217 0.707 -31.618 1.00 0.00 N ATOM 0 H GLN A 84 20.477 -0.436 -28.368 1.00 0.00 H new ATOM 0 HA GLN A 84 22.399 -2.322 -29.653 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.623 0.318 -30.958 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.603 -0.969 -31.633 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.590 -1.502 -32.671 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.360 -2.418 -31.195 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.998 1.115 -32.132 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.403 1.278 -31.390 1.00 0.00 H new ATOM 1320 N TYR A 85 24.257 -0.795 -28.739 1.00 0.00 N ATOM 1321 CA TYR A 85 25.258 0.090 -28.046 1.00 0.00 C ATOM 1322 C TYR A 85 25.228 1.494 -28.674 1.00 0.00 C ATOM 1323 O TYR A 85 24.587 1.709 -29.701 1.00 0.00 O ATOM 1324 CB TYR A 85 26.674 -0.485 -28.186 1.00 0.00 C ATOM 1325 CG TYR A 85 26.868 -1.635 -27.223 1.00 0.00 C ATOM 1326 CD1 TYR A 85 26.510 -1.502 -25.870 1.00 0.00 C ATOM 1327 CD2 TYR A 85 27.418 -2.837 -27.684 1.00 0.00 C ATOM 1328 CE1 TYR A 85 26.701 -2.572 -24.990 1.00 0.00 C ATOM 1329 CE2 TYR A 85 27.609 -3.904 -26.801 1.00 0.00 C ATOM 1330 CZ TYR A 85 27.251 -3.772 -25.456 1.00 0.00 C ATOM 1331 OH TYR A 85 27.446 -4.825 -24.591 1.00 0.00 O ATOM 0 H TYR A 85 24.621 -1.687 -29.074 1.00 0.00 H new ATOM 0 HA TYR A 85 24.996 0.145 -26.989 1.00 0.00 H new ATOM 0 HB2 TYR A 85 26.837 -0.826 -29.208 1.00 0.00 H new ATOM 0 HB3 TYR A 85 27.412 0.293 -27.988 1.00 0.00 H new ATOM 0 HD1 TYR A 85 26.088 -0.575 -25.511 1.00 0.00 H new ATOM 0 HD2 TYR A 85 27.695 -2.940 -28.723 1.00 0.00 H new ATOM 0 HE1 TYR A 85 26.424 -2.473 -23.951 1.00 0.00 H new ATOM 0 HE2 TYR A 85 28.033 -4.831 -27.158 1.00 0.00 H new ATOM 0 HH TYR A 85 28.149 -4.594 -23.948 1.00 0.00 H new ATOM 1332 N ALA A 86 25.905 2.455 -28.084 1.00 0.00 N ATOM 1333 CA ALA A 86 25.899 3.832 -28.667 1.00 0.00 C ATOM 1334 C ALA A 86 26.981 3.928 -29.752 1.00 0.00 C ATOM 1335 O ALA A 86 27.769 3.002 -29.938 1.00 0.00 O ATOM 1336 CB ALA A 86 26.177 4.870 -27.574 1.00 0.00 C ATOM 0 H ALA A 86 26.455 2.344 -27.232 1.00 0.00 H new ATOM 0 HA ALA A 86 24.920 4.031 -29.103 1.00 0.00 H new ATOM 0 HB1 ALA A 86 26.170 5.869 -28.011 1.00 0.00 H new ATOM 0 HB2 ALA A 86 25.407 4.805 -26.806 1.00 0.00 H new ATOM 0 HB3 ALA A 86 27.152 4.676 -27.127 1.00 0.00 H new ATOM 1337 N LYS A 87 27.044 5.028 -30.473 1.00 0.00 N ATOM 1338 CA LYS A 87 28.086 5.158 -31.536 1.00 0.00 C ATOM 1339 C LYS A 87 29.379 5.703 -30.915 1.00 0.00 C ATOM 1340 O LYS A 87 30.463 5.167 -31.145 1.00 0.00 O ATOM 1341 CB LYS A 87 27.603 6.115 -32.633 1.00 0.00 C ATOM 1342 CG LYS A 87 26.408 5.497 -33.361 1.00 0.00 C ATOM 1343 CD LYS A 87 25.557 6.606 -33.980 1.00 0.00 C ATOM 1344 CE LYS A 87 24.547 5.993 -34.952 1.00 0.00 C ATOM 1345 NZ LYS A 87 25.191 5.803 -36.283 1.00 0.00 N ATOM 0 H LYS A 87 26.424 5.831 -30.369 1.00 0.00 H new ATOM 0 HA LYS A 87 28.272 4.178 -31.976 1.00 0.00 H new ATOM 0 HB2 LYS A 87 27.320 7.073 -32.196 1.00 0.00 H new ATOM 0 HB3 LYS A 87 28.410 6.312 -33.339 1.00 0.00 H new ATOM 0 HG2 LYS A 87 26.755 4.815 -34.137 1.00 0.00 H new ATOM 0 HG3 LYS A 87 25.809 4.910 -32.665 1.00 0.00 H new ATOM 0 HD2 LYS A 87 25.036 7.158 -33.198 1.00 0.00 H new ATOM 0 HD3 LYS A 87 26.194 7.319 -34.503 1.00 0.00 H new ATOM 0 HE2 LYS A 87 24.191 5.037 -34.568 1.00 0.00 H new ATOM 0 HE3 LYS A 87 23.677 6.642 -35.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 24.505 5.386 -36.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 25.510 6.723 -36.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 26.008 5.167 -36.186 1.00 0.00 H new ATOM 1346 N THR A 88 29.297 6.755 -30.128 1.00 0.00 N ATOM 1347 CA THR A 88 30.526 7.314 -29.503 1.00 0.00 C ATOM 1348 C THR A 88 30.485 7.066 -27.988 1.00 0.00 C ATOM 1349 O THR A 88 29.504 6.540 -27.464 1.00 0.00 O ATOM 1350 CB THR A 88 30.600 8.819 -29.774 1.00 0.00 C ATOM 1351 OG1 THR A 88 29.326 9.404 -29.540 1.00 0.00 O ATOM 1352 CG2 THR A 88 31.015 9.058 -31.226 1.00 0.00 C ATOM 0 H THR A 88 28.432 7.243 -29.897 1.00 0.00 H new ATOM 0 HA THR A 88 31.404 6.827 -29.928 1.00 0.00 H new ATOM 0 HB THR A 88 31.336 9.273 -29.110 1.00 0.00 H new ATOM 0 HG1 THR A 88 29.372 10.368 -29.711 1.00 0.00 H new ATOM 0 HG21 THR A 88 31.067 10.130 -31.418 1.00 0.00 H new ATOM 0 HG22 THR A 88 31.992 8.609 -31.404 1.00 0.00 H new ATOM 0 HG23 THR A 88 30.281 8.605 -31.893 1.00 0.00 H new ATOM 1353 N ASP A 89 31.524 7.433 -27.269 1.00 0.00 N ATOM 1354 CA ASP A 89 31.517 7.207 -25.790 1.00 0.00 C ATOM 1355 C ASP A 89 30.682 8.303 -25.110 1.00 0.00 C ATOM 1356 O ASP A 89 30.214 9.233 -25.764 1.00 0.00 O ATOM 1357 CB ASP A 89 32.954 7.236 -25.247 1.00 0.00 C ATOM 1358 CG ASP A 89 33.579 8.611 -25.502 1.00 0.00 C ATOM 1359 OD1 ASP A 89 33.136 9.564 -24.884 1.00 0.00 O ATOM 1360 OD2 ASP A 89 34.489 8.685 -26.311 1.00 0.00 O ATOM 0 H ASP A 89 32.366 7.874 -27.640 1.00 0.00 H new ATOM 0 HA ASP A 89 31.079 6.232 -25.577 1.00 0.00 H new ATOM 0 HB2 ASP A 89 32.953 7.020 -24.179 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.550 6.461 -25.729 1.00 0.00 H new ATOM 1361 N SER A 90 30.483 8.219 -23.811 1.00 0.00 N ATOM 1362 CA SER A 90 29.679 9.265 -23.113 1.00 0.00 C ATOM 1363 C SER A 90 30.624 10.298 -22.484 1.00 0.00 C ATOM 1364 O SER A 90 31.733 9.964 -22.069 1.00 0.00 O ATOM 1365 CB SER A 90 28.828 8.616 -22.020 1.00 0.00 C ATOM 1366 OG SER A 90 27.698 7.990 -22.613 1.00 0.00 O ATOM 0 H SER A 90 30.842 7.475 -23.213 1.00 0.00 H new ATOM 0 HA SER A 90 29.025 9.759 -23.831 1.00 0.00 H new ATOM 0 HB2 SER A 90 29.418 7.882 -21.471 1.00 0.00 H new ATOM 0 HB3 SER A 90 28.505 9.368 -21.300 1.00 0.00 H new ATOM 0 HG SER A 90 27.781 7.017 -22.528 1.00 0.00 H new ATOM 1367 N ASP A 91 30.217 11.548 -22.403 1.00 0.00 N ATOM 1368 CA ASP A 91 31.115 12.580 -21.800 1.00 0.00 C ATOM 1369 C ASP A 91 31.106 12.481 -20.269 1.00 0.00 C ATOM 1370 O ASP A 91 32.083 12.858 -19.623 1.00 0.00 O ATOM 1371 CB ASP A 91 30.680 13.988 -22.229 1.00 0.00 C ATOM 1372 CG ASP A 91 31.270 14.311 -23.603 1.00 0.00 C ATOM 1373 OD1 ASP A 91 32.394 14.782 -23.648 1.00 0.00 O ATOM 1374 OD2 ASP A 91 30.586 14.081 -24.588 1.00 0.00 O ATOM 0 H ASP A 91 29.312 11.891 -22.726 1.00 0.00 H new ATOM 0 HA ASP A 91 32.128 12.395 -22.158 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.592 14.048 -22.266 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.015 14.722 -21.496 1.00 0.00 H new ATOM 1375 N ILE A 92 30.055 11.969 -19.659 1.00 0.00 N ATOM 1376 CA ILE A 92 30.072 11.846 -18.171 1.00 0.00 C ATOM 1377 C ILE A 92 31.280 10.981 -17.738 1.00 0.00 C ATOM 1378 O ILE A 92 31.759 11.110 -16.613 1.00 0.00 O ATOM 1379 CB ILE A 92 28.769 11.211 -17.665 1.00 0.00 C ATOM 1380 CG1 ILE A 92 28.536 9.864 -18.366 1.00 0.00 C ATOM 1381 CG2 ILE A 92 27.598 12.153 -17.958 1.00 0.00 C ATOM 1382 CD1 ILE A 92 28.138 8.798 -17.338 1.00 0.00 C ATOM 0 H ILE A 92 29.207 11.640 -20.121 1.00 0.00 H new ATOM 0 HA ILE A 92 30.161 12.842 -17.738 1.00 0.00 H new ATOM 0 HB ILE A 92 28.843 11.044 -16.590 1.00 0.00 H new ATOM 0 HG12 ILE A 92 27.753 9.967 -19.117 1.00 0.00 H new ATOM 0 HG13 ILE A 92 29.441 9.556 -18.889 1.00 0.00 H new ATOM 0 HG21 ILE A 92 26.672 11.704 -17.600 1.00 0.00 H new ATOM 0 HG22 ILE A 92 27.760 13.104 -17.451 1.00 0.00 H new ATOM 0 HG23 ILE A 92 27.527 12.322 -19.032 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.975 7.847 -17.845 1.00 0.00 H new ATOM 0 HD12 ILE A 92 28.935 8.686 -16.603 1.00 0.00 H new ATOM 0 HD13 ILE A 92 27.221 9.103 -16.834 1.00 0.00 H new ATOM 1383 N ILE A 93 31.813 10.121 -18.602 1.00 0.00 N ATOM 1384 CA ILE A 93 33.001 9.305 -18.194 1.00 0.00 C ATOM 1385 C ILE A 93 34.247 10.199 -18.283 1.00 0.00 C ATOM 1386 O ILE A 93 35.141 10.121 -17.445 1.00 0.00 O ATOM 1387 CB ILE A 93 33.228 8.071 -19.105 1.00 0.00 C ATOM 1388 CG1 ILE A 93 31.942 7.551 -19.791 1.00 0.00 C ATOM 1389 CG2 ILE A 93 33.819 6.941 -18.263 1.00 0.00 C ATOM 1390 CD1 ILE A 93 30.772 7.445 -18.809 1.00 0.00 C ATOM 0 H ILE A 93 31.476 9.959 -19.551 1.00 0.00 H new ATOM 0 HA ILE A 93 32.820 8.940 -17.183 1.00 0.00 H new ATOM 0 HB ILE A 93 33.903 8.390 -19.899 1.00 0.00 H new ATOM 0 HG12 ILE A 93 31.671 8.220 -20.608 1.00 0.00 H new ATOM 0 HG13 ILE A 93 32.136 6.573 -20.231 1.00 0.00 H new ATOM 0 HG21 ILE A 93 33.984 6.066 -18.892 1.00 0.00 H new ATOM 0 HG22 ILE A 93 34.768 7.264 -17.835 1.00 0.00 H new ATOM 0 HG23 ILE A 93 33.127 6.685 -17.460 1.00 0.00 H new ATOM 0 HD11 ILE A 93 29.890 7.076 -19.332 1.00 0.00 H new ATOM 0 HD12 ILE A 93 31.032 6.755 -18.006 1.00 0.00 H new ATOM 0 HD13 ILE A 93 30.560 8.428 -18.388 1.00 0.00 H new