USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 956 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: B 550 SER OG : rot -100:sc= 0.0917 USER MOD Set 1.2: B 551 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 640 TYR OH : rot 105:sc= -0.658 USER MOD Set 2.2: A 649 TYR OH : rot 74:sc= 1.94 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -150:sc= 0.195 USER MOD Single : A 597 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 601 SER OG : rot -25:sc= 0.559 USER MOD Single : A 602 HIS :FLIP no HE2:sc= -0.147 F(o=-1.2,f=-0.15) USER MOD Single : A 605 HIS : no HD1:sc= -0.0646 X(o=-0.065,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= 0.512 K(o=0.51,f=0) USER MOD Single : A 614 THR OG1 : rot -52:sc= -0.0594 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 627 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 631 TYR OH : rot 30:sc= -0.827 USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl -152:sc= -2.7! (180deg=-4.29!) USER MOD Single : A 642 SER OG : rot 180:sc= -0.626 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 650 TYR OH : rot -70:sc= -0.587 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.15) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ -149:sc= 1.04 (180deg=0.17) USER MOD Single : A 661 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.76) USER MOD Single : A 662 LYS NZ :NH3+ -118:sc= 0.465 (180deg=-0.0909) USER MOD Single : A 667 LYS NZ :NH3+ -111:sc= 0.717 (180deg=-0.00185) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : B 520 SER OG : rot 180:sc= 0 USER MOD Single : B 523 TYR OH : rot 180:sc= 0 USER MOD Single : B 525 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 529 SER OG : rot 180:sc= 0 USER MOD Single : B 535 SER OG : rot -46:sc= 0.7 USER MOD Single : B 536 SER OG : rot 180:sc= 0 USER MOD Single : B 540 MET CE :methyl 173:sc= 0 (180deg=-0.0751) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot 180:sc= 0 USER MOD Single : B 548 GLN : amide:sc= 0.0538 K(o=0.054,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 26.450 -6.769 -10.944 1.00 25.00 N ATOM 2 CA GLY A 586 26.456 -5.295 -10.731 1.00 25.00 C ATOM 3 C GLY A 586 27.087 -4.902 -9.408 1.00 25.00 C ATOM 4 O GLY A 586 28.228 -5.277 -9.126 1.00 25.00 O ATOM 0 HA2 GLY A 586 26.999 -4.816 -11.546 1.00 25.00 H new ATOM 0 HA3 GLY A 586 25.433 -4.922 -10.767 1.00 25.00 H new ATOM 10 N VAL A 587 26.335 -4.142 -8.601 1.00 25.00 N ATOM 11 CA VAL A 587 26.807 -3.683 -7.283 1.00 25.00 C ATOM 12 C VAL A 587 26.423 -4.709 -6.204 1.00 25.00 C ATOM 13 O VAL A 587 25.327 -5.277 -6.238 1.00 25.00 O ATOM 14 CB VAL A 587 26.234 -2.275 -6.913 1.00 25.00 C ATOM 15 CG1 VAL A 587 26.607 -1.874 -5.485 1.00 25.00 C ATOM 16 CG2 VAL A 587 26.714 -1.202 -7.888 1.00 25.00 C ATOM 0 H VAL A 587 25.393 -3.830 -8.837 1.00 25.00 H new ATOM 0 HA VAL A 587 27.892 -3.592 -7.334 1.00 25.00 H new ATOM 0 HB VAL A 587 25.149 -2.351 -6.982 1.00 25.00 H new ATOM 0 HG11 VAL A 587 26.192 -0.891 -5.263 1.00 25.00 H new ATOM 0 HG12 VAL A 587 26.203 -2.605 -4.785 1.00 25.00 H new ATOM 0 HG13 VAL A 587 27.692 -1.840 -5.388 1.00 25.00 H new ATOM 0 HG21 VAL A 587 26.297 -0.237 -7.601 1.00 25.00 H new ATOM 0 HG22 VAL A 587 27.802 -1.149 -7.863 1.00 25.00 H new ATOM 0 HG23 VAL A 587 26.386 -1.454 -8.896 1.00 25.00 H new ATOM 26 N ARG A 588 27.340 -4.927 -5.252 1.00 25.00 N ATOM 27 CA ARG A 588 27.154 -5.924 -4.192 1.00 25.00 C ATOM 28 C ARG A 588 26.525 -5.283 -2.960 1.00 25.00 C ATOM 29 O ARG A 588 27.057 -4.305 -2.421 1.00 25.00 O ATOM 30 CB ARG A 588 28.492 -6.581 -3.825 1.00 25.00 C ATOM 31 CG ARG A 588 28.372 -7.702 -2.797 1.00 25.00 C ATOM 32 CD ARG A 588 29.728 -8.313 -2.455 1.00 25.00 C ATOM 33 NE ARG A 588 29.624 -9.368 -1.437 1.00 25.00 N ATOM 34 CZ ARG A 588 30.652 -9.851 -0.723 1.00 25.00 C ATOM 35 NH1 ARG A 588 31.891 -9.392 -0.897 1.00 25.00 N ATOM 36 NH2 ARG A 588 30.433 -10.802 0.175 1.00 25.00 N ATOM 0 H ARG A 588 28.224 -4.421 -5.196 1.00 25.00 H new ATOM 0 HA ARG A 588 26.481 -6.696 -4.565 1.00 25.00 H new ATOM 0 HB2 ARG A 588 28.950 -6.980 -4.730 1.00 25.00 H new ATOM 0 HB3 ARG A 588 29.166 -5.817 -3.437 1.00 25.00 H new ATOM 0 HG2 ARG A 588 27.910 -7.313 -1.889 1.00 25.00 H new ATOM 0 HG3 ARG A 588 27.712 -8.479 -3.183 1.00 25.00 H new ATOM 0 HD2 ARG A 588 30.176 -8.726 -3.359 1.00 25.00 H new ATOM 0 HD3 ARG A 588 30.397 -7.530 -2.097 1.00 25.00 H new ATOM 0 HE ARG A 588 28.700 -9.763 -1.260 1.00 25.00 H new ATOM 0 HH11 ARG A 588 32.072 -8.660 -1.584 1.00 25.00 H new ATOM 0 HH12 ARG A 588 32.658 -9.773 -0.344 1.00 25.00 H new ATOM 0 HH21 ARG A 588 29.489 -11.160 0.318 1.00 25.00 H new ATOM 0 HH22 ARG A 588 31.209 -11.175 0.722 1.00 25.00 H new ATOM 50 N LYS A 589 25.389 -5.835 -2.521 1.00 25.00 N ATOM 51 CA LYS A 589 24.654 -5.277 -1.384 1.00 25.00 C ATOM 52 C LYS A 589 24.366 -6.346 -0.332 1.00 25.00 C ATOM 53 O LYS A 589 23.887 -7.438 -0.655 1.00 25.00 O ATOM 54 CB LYS A 589 23.339 -4.621 -1.844 1.00 25.00 C ATOM 55 CG LYS A 589 23.510 -3.389 -2.743 1.00 25.00 C ATOM 56 CD LYS A 589 22.194 -2.663 -3.024 1.00 25.00 C ATOM 57 CE LYS A 589 22.410 -1.442 -3.905 1.00 25.00 C ATOM 58 NZ LYS A 589 21.133 -0.731 -4.191 1.00 25.00 N ATOM 0 H LYS A 589 24.961 -6.664 -2.934 1.00 25.00 H new ATOM 0 HA LYS A 589 25.286 -4.512 -0.933 1.00 25.00 H new ATOM 0 HB2 LYS A 589 22.748 -5.364 -2.379 1.00 25.00 H new ATOM 0 HB3 LYS A 589 22.766 -4.333 -0.963 1.00 25.00 H new ATOM 0 HG2 LYS A 589 24.206 -2.696 -2.271 1.00 25.00 H new ATOM 0 HG3 LYS A 589 23.958 -3.696 -3.688 1.00 25.00 H new ATOM 0 HD2 LYS A 589 21.497 -3.346 -3.510 1.00 25.00 H new ATOM 0 HD3 LYS A 589 21.737 -2.358 -2.083 1.00 25.00 H new ATOM 0 HE2 LYS A 589 23.104 -0.759 -3.415 1.00 25.00 H new ATOM 0 HE3 LYS A 589 22.873 -1.748 -4.843 1.00 25.00 H new ATOM 0 HZ1 LYS A 589 21.323 0.095 -4.794 1.00 25.00 H new ATOM 0 HZ2 LYS A 589 20.480 -1.375 -4.681 1.00 25.00 H new ATOM 0 HZ3 LYS A 589 20.703 -0.416 -3.298 1.00 25.00 H new ATOM 72 N GLY A 590 24.670 -6.013 0.929 1.00 25.00 N ATOM 73 CA GLY A 590 24.457 -6.932 2.045 1.00 25.00 C ATOM 74 C GLY A 590 23.016 -6.968 2.549 1.00 25.00 C ATOM 75 O GLY A 590 22.621 -7.923 3.224 1.00 25.00 O ATOM 0 H GLY A 590 25.065 -5.112 1.198 1.00 25.00 H new ATOM 0 HA2 GLY A 590 24.749 -7.936 1.737 1.00 25.00 H new ATOM 0 HA3 GLY A 590 25.113 -6.647 2.868 1.00 25.00 H new ATOM 79 N TRP A 591 22.237 -5.926 2.221 1.00 25.00 N ATOM 80 CA TRP A 591 20.838 -5.815 2.668 1.00 25.00 C ATOM 81 C TRP A 591 19.865 -6.574 1.751 1.00 25.00 C ATOM 82 O TRP A 591 18.729 -6.857 2.140 1.00 25.00 O ATOM 83 CB TRP A 591 20.423 -4.338 2.806 1.00 25.00 C ATOM 84 CG TRP A 591 21.077 -3.571 3.930 1.00 25.00 C ATOM 85 CD1 TRP A 591 21.979 -2.546 3.818 1.00 25.00 C ATOM 86 CD2 TRP A 591 20.900 -3.795 5.336 1.00 25.00 C ATOM 87 NE1 TRP A 591 22.355 -2.111 5.066 1.00 25.00 N ATOM 88 CE2 TRP A 591 21.709 -2.862 6.014 1.00 25.00 C ATOM 89 CE3 TRP A 591 20.129 -4.689 6.091 1.00 25.00 C ATOM 90 CZ2 TRP A 591 21.771 -2.801 7.403 1.00 25.00 C ATOM 91 CZ3 TRP A 591 20.194 -4.626 7.467 1.00 25.00 C ATOM 92 CH2 TRP A 591 21.007 -3.688 8.112 1.00 25.00 C ATOM 0 H TRP A 591 22.553 -5.145 1.646 1.00 25.00 H new ATOM 0 HA TRP A 591 20.780 -6.287 3.649 1.00 25.00 H new ATOM 0 HB2 TRP A 591 20.645 -3.829 1.868 1.00 25.00 H new ATOM 0 HB3 TRP A 591 19.343 -4.296 2.944 1.00 25.00 H new ATOM 0 HD1 TRP A 591 22.341 -2.139 2.885 1.00 25.00 H new ATOM 0 HE1 TRP A 591 23.009 -1.352 5.256 1.00 25.00 H new ATOM 0 HE3 TRP A 591 19.495 -5.415 5.604 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 22.400 -2.079 7.904 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 19.606 -5.313 8.057 1.00 25.00 H new ATOM 0 HH2 TRP A 591 21.032 -3.663 9.191 1.00 25.00 H new ATOM 103 N HIS A 592 20.314 -6.877 0.534 1.00 25.00 N ATOM 104 CA HIS A 592 19.572 -7.757 -0.384 1.00 25.00 C ATOM 105 C HIS A 592 19.799 -9.244 -0.053 1.00 25.00 C ATOM 106 O HIS A 592 19.070 -10.111 -0.546 1.00 25.00 O ATOM 107 CB HIS A 592 19.981 -7.496 -1.841 1.00 25.00 C ATOM 108 CG HIS A 592 19.120 -8.176 -2.863 1.00 25.00 C ATOM 109 ND1 HIS A 592 19.598 -9.123 -3.741 1.00 25.00 N ATOM 110 CD2 HIS A 592 17.792 -8.068 -3.115 1.00 25.00 C ATOM 111 CE1 HIS A 592 18.605 -9.569 -4.489 1.00 25.00 C ATOM 112 NE2 HIS A 592 17.500 -8.946 -4.128 1.00 25.00 N ATOM 0 H HIS A 592 21.193 -6.526 0.154 1.00 25.00 H new ATOM 0 HA HIS A 592 18.514 -7.529 -0.257 1.00 25.00 H new ATOM 0 HB2 HIS A 592 19.959 -6.422 -2.024 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.012 -7.822 -1.979 1.00 25.00 H new ATOM 0 HD2 HIS A 592 17.095 -7.414 -2.613 1.00 25.00 H new ATOM 0 HE1 HIS A 592 18.684 -10.317 -5.264 1.00 25.00 H new ATOM 0 HE2 HIS A 592 16.577 -9.093 -4.536 1.00 25.00 H new ATOM 121 N GLU A 593 20.808 -9.522 0.791 1.00 25.00 N ATOM 122 CA GLU A 593 21.177 -10.900 1.162 1.00 25.00 C ATOM 123 C GLU A 593 20.211 -11.505 2.188 1.00 25.00 C ATOM 124 O GLU A 593 19.881 -12.692 2.102 1.00 25.00 O ATOM 125 CB GLU A 593 22.615 -10.945 1.703 1.00 25.00 C ATOM 126 CG GLU A 593 23.696 -10.769 0.641 1.00 25.00 C ATOM 127 CD GLU A 593 25.107 -10.957 1.178 1.00 25.00 C ATOM 128 OE1 GLU A 593 25.413 -10.397 2.252 1.00 25.00 O ATOM 129 OE2 GLU A 593 25.904 -11.664 0.524 1.00 25.00 O ATOM 0 H GLU A 593 21.386 -8.806 1.231 1.00 25.00 H new ATOM 0 HA GLU A 593 21.112 -11.502 0.256 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.732 -10.164 2.455 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.770 -11.899 2.207 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.524 -11.483 -0.164 1.00 25.00 H new ATOM 0 HG3 GLU A 593 23.610 -9.773 0.207 1.00 25.00 H new ATOM 136 N HIS A 594 19.764 -10.687 3.154 1.00 25.00 N ATOM 137 CA HIS A 594 18.777 -11.128 4.151 1.00 25.00 C ATOM 138 C HIS A 594 17.338 -10.862 3.682 1.00 25.00 C ATOM 139 O HIS A 594 16.397 -11.487 4.178 1.00 25.00 O ATOM 140 CB HIS A 594 19.025 -10.476 5.533 1.00 25.00 C ATOM 141 CG HIS A 594 20.375 -10.734 6.154 1.00 25.00 C ATOM 142 ND1 HIS A 594 20.762 -11.976 6.613 1.00 25.00 N ATOM 143 CD2 HIS A 594 21.407 -9.901 6.424 1.00 25.00 C ATOM 144 CE1 HIS A 594 21.971 -11.894 7.140 1.00 25.00 C ATOM 145 NE2 HIS A 594 22.384 -10.644 7.036 1.00 25.00 N ATOM 0 H HIS A 594 20.069 -9.720 3.265 1.00 25.00 H new ATOM 0 HA HIS A 594 18.904 -12.205 4.260 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.893 -9.399 5.433 1.00 25.00 H new ATOM 0 HB3 HIS A 594 18.257 -10.828 6.222 1.00 25.00 H new ATOM 0 HD2 HIS A 594 21.453 -8.846 6.199 1.00 25.00 H new ATOM 0 HE1 HIS A 594 22.526 -12.709 7.580 1.00 25.00 H new ATOM 0 HE2 HIS A 594 23.284 -10.289 7.359 1.00 25.00 H new ATOM 154 N VAL A 595 17.182 -9.935 2.721 1.00 25.00 N ATOM 155 CA VAL A 595 15.875 -9.647 2.124 1.00 25.00 C ATOM 156 C VAL A 595 15.596 -10.632 0.973 1.00 25.00 C ATOM 157 O VAL A 595 16.426 -10.803 0.075 1.00 25.00 O ATOM 158 CB VAL A 595 15.770 -8.152 1.653 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.535 -7.872 0.788 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.730 -7.229 2.861 1.00 25.00 C ATOM 0 H VAL A 595 17.947 -9.375 2.344 1.00 25.00 H new ATOM 0 HA VAL A 595 15.108 -9.785 2.886 1.00 25.00 H new ATOM 0 HB VAL A 595 16.653 -7.965 1.041 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.525 -6.821 0.498 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.568 -8.495 -0.106 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.633 -8.100 1.356 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.657 -6.194 2.526 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.864 -7.473 3.477 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.640 -7.357 3.447 1.00 25.00 H new ATOM 170 N THR A 596 14.422 -11.265 1.026 1.00 25.00 N ATOM 171 CA THR A 596 14.043 -12.295 0.055 1.00 25.00 C ATOM 172 C THR A 596 12.910 -11.825 -0.861 1.00 25.00 C ATOM 173 O THR A 596 12.463 -10.676 -0.783 1.00 25.00 O ATOM 174 CB THR A 596 13.590 -13.603 0.755 1.00 25.00 C ATOM 175 OG1 THR A 596 12.408 -13.369 1.532 1.00 25.00 O ATOM 176 CG2 THR A 596 14.675 -14.168 1.650 1.00 25.00 C ATOM 0 H THR A 596 13.713 -11.081 1.736 1.00 25.00 H new ATOM 0 HA THR A 596 14.936 -12.487 -0.540 1.00 25.00 H new ATOM 0 HB THR A 596 13.379 -14.331 -0.028 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.394 -13.979 2.299 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.318 -15.084 2.121 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.560 -14.389 1.054 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.928 -13.439 2.419 1.00 25.00 H new ATOM 184 N GLN A 597 12.460 -12.739 -1.732 1.00 25.00 N ATOM 185 CA GLN A 597 11.256 -12.541 -2.541 1.00 25.00 C ATOM 186 C GLN A 597 10.004 -12.803 -1.693 1.00 25.00 C ATOM 187 O GLN A 597 8.898 -12.393 -2.056 1.00 25.00 O ATOM 188 CB GLN A 597 11.252 -13.470 -3.773 1.00 25.00 C ATOM 189 CG GLN A 597 12.340 -13.187 -4.811 1.00 25.00 C ATOM 190 CD GLN A 597 12.294 -14.120 -6.014 1.00 25.00 C ATOM 191 OE1 GLN A 597 11.288 -14.986 -6.059 1.00 25.00 O flip ATOM 192 NE2 GLN A 597 13.161 -14.065 -6.887 1.00 25.00 N flip ATOM 0 H GLN A 597 12.922 -13.634 -1.893 1.00 25.00 H new ATOM 0 HA GLN A 597 11.251 -11.508 -2.890 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.359 -14.499 -3.431 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.280 -13.395 -4.260 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.242 -12.158 -5.156 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.316 -13.271 -4.334 1.00 25.00 H new ATOM 0 HE21 GLN A 597 13.917 -13.384 -6.813 1.00 25.00 H new ATOM 0 HE22 GLN A 597 13.123 -14.700 -7.684 1.00 25.00 H new ATOM 201 N ASP A 598 10.200 -13.498 -0.555 1.00 25.00 N ATOM 202 CA ASP A 598 9.107 -13.820 0.367 1.00 25.00 C ATOM 203 C ASP A 598 8.815 -12.643 1.314 1.00 25.00 C ATOM 204 O ASP A 598 7.694 -12.523 1.817 1.00 25.00 O ATOM 205 CB ASP A 598 9.451 -15.091 1.163 1.00 25.00 C ATOM 206 CG ASP A 598 9.389 -16.362 0.326 1.00 25.00 C ATOM 207 OD1 ASP A 598 8.734 -16.343 -0.736 1.00 25.00 O ATOM 208 OD2 ASP A 598 9.997 -17.373 0.738 1.00 25.00 O ATOM 0 H ASP A 598 11.111 -13.846 -0.257 1.00 25.00 H new ATOM 0 HA ASP A 598 8.205 -14.004 -0.216 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.452 -14.989 1.582 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.762 -15.183 2.002 1.00 25.00 H new ATOM 213 N LEU A 599 9.825 -11.779 1.558 1.00 25.00 N ATOM 214 CA LEU A 599 9.608 -10.534 2.316 1.00 25.00 C ATOM 215 C LEU A 599 8.710 -9.567 1.548 1.00 25.00 C ATOM 216 O LEU A 599 7.713 -9.094 2.087 1.00 25.00 O ATOM 217 CB LEU A 599 10.935 -9.817 2.657 1.00 25.00 C ATOM 218 CG LEU A 599 10.871 -8.592 3.595 1.00 25.00 C ATOM 219 CD1 LEU A 599 11.194 -9.034 5.011 1.00 25.00 C ATOM 220 CD2 LEU A 599 11.857 -7.493 3.201 1.00 25.00 C ATOM 0 H LEU A 599 10.785 -11.921 1.244 1.00 25.00 H new ATOM 0 HA LEU A 599 9.121 -10.828 3.246 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.605 -10.549 3.108 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.394 -9.499 1.721 1.00 25.00 H new ATOM 0 HG LEU A 599 9.864 -8.183 3.519 1.00 25.00 H new ATOM 0 HD11 LEU A 599 11.151 -8.174 5.679 1.00 25.00 H new ATOM 0 HD12 LEU A 599 10.469 -9.781 5.333 1.00 25.00 H new ATOM 0 HD13 LEU A 599 12.195 -9.465 5.038 1.00 25.00 H new ATOM 0 HD21 LEU A 599 11.767 -6.658 3.895 1.00 25.00 H new ATOM 0 HD22 LEU A 599 12.873 -7.886 3.236 1.00 25.00 H new ATOM 0 HD23 LEU A 599 11.635 -7.150 2.190 1.00 25.00 H new ATOM 232 N ARG A 600 9.045 -9.316 0.270 1.00 25.00 N ATOM 233 CA ARG A 600 8.342 -8.315 -0.553 1.00 25.00 C ATOM 234 C ARG A 600 6.829 -8.601 -0.675 1.00 25.00 C ATOM 235 O ARG A 600 6.045 -7.692 -0.949 1.00 25.00 O ATOM 236 CB ARG A 600 9.002 -8.202 -1.949 1.00 25.00 C ATOM 237 CG ARG A 600 10.451 -7.702 -1.954 1.00 25.00 C ATOM 238 CD ARG A 600 11.167 -8.031 -3.260 1.00 25.00 C ATOM 239 NE ARG A 600 10.646 -7.261 -4.399 1.00 25.00 N ATOM 240 CZ ARG A 600 11.167 -7.272 -5.636 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.232 -8.017 -5.929 1.00 25.00 N ATOM 242 NH2 ARG A 600 10.616 -6.531 -6.587 1.00 25.00 N ATOM 0 H ARG A 600 9.802 -9.795 -0.217 1.00 25.00 H new ATOM 0 HA ARG A 600 8.435 -7.357 -0.041 1.00 25.00 H new ATOM 0 HB2 ARG A 600 8.972 -9.181 -2.426 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.402 -7.530 -2.562 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.462 -6.623 -1.797 1.00 25.00 H new ATOM 0 HG3 ARG A 600 10.992 -8.151 -1.121 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.232 -7.830 -3.147 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.064 -9.096 -3.468 1.00 25.00 H new ATOM 0 HE ARG A 600 9.827 -6.675 -4.237 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.666 -8.592 -5.207 1.00 25.00 H new ATOM 0 HH12 ARG A 600 12.613 -8.012 -6.875 1.00 25.00 H new ATOM 0 HH21 ARG A 600 9.800 -5.956 -6.377 1.00 25.00 H new ATOM 0 HH22 ARG A 600 11.008 -6.536 -7.529 1.00 25.00 H new ATOM 256 N SER A 601 6.445 -9.867 -0.460 1.00 25.00 N ATOM 257 CA SER A 601 5.040 -10.283 -0.495 1.00 25.00 C ATOM 258 C SER A 601 4.347 -10.024 0.857 1.00 25.00 C ATOM 259 O SER A 601 3.146 -9.743 0.898 1.00 25.00 O ATOM 260 CB SER A 601 4.952 -11.773 -0.857 1.00 25.00 C ATOM 261 OG SER A 601 5.577 -12.583 0.126 1.00 25.00 O ATOM 0 H SER A 601 7.096 -10.626 -0.258 1.00 25.00 H new ATOM 0 HA SER A 601 4.525 -9.693 -1.253 1.00 25.00 H new ATOM 0 HB2 SER A 601 3.906 -12.063 -0.958 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.425 -11.942 -1.824 1.00 25.00 H new ATOM 0 HG SER A 601 6.257 -12.058 0.598 1.00 25.00 H new ATOM 267 N HIS A 602 5.122 -10.128 1.952 1.00 25.00 N ATOM 268 CA HIS A 602 4.632 -9.842 3.313 1.00 25.00 C ATOM 269 C HIS A 602 4.626 -8.327 3.578 1.00 25.00 C ATOM 270 O HIS A 602 3.895 -7.837 4.441 1.00 25.00 O ATOM 271 CB HIS A 602 5.518 -10.569 4.342 1.00 25.00 C ATOM 272 CG HIS A 602 5.361 -12.063 4.358 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.266 -13.052 4.149 1.00 25.00 N flip ATOM 274 CD2 HIS A 602 4.160 -12.694 4.605 1.00 25.00 C flip ATOM 275 CE1 HIS A 602 5.597 -14.246 4.274 1.00 25.00 C flip ATOM 276 NE2 HIS A 602 4.330 -14.003 4.550 1.00 25.00 N flip ATOM 0 H HIS A 602 6.101 -10.411 1.919 1.00 25.00 H new ATOM 0 HA HIS A 602 3.608 -10.204 3.407 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.561 -10.329 4.138 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.290 -10.182 5.335 1.00 25.00 H new ATOM 0 HD1 HIS A 602 7.257 -12.932 3.939 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.225 -12.195 4.812 1.00 25.00 H new ATOM 0 HE1 HIS A 602 6.038 -15.226 4.164 1.00 25.00 H new ATOM 285 N LEU A 603 5.460 -7.614 2.814 1.00 25.00 N ATOM 286 CA LEU A 603 5.526 -6.146 2.819 1.00 25.00 C ATOM 287 C LEU A 603 4.321 -5.562 2.077 1.00 25.00 C ATOM 288 O LEU A 603 3.825 -4.485 2.417 1.00 25.00 O ATOM 289 CB LEU A 603 6.838 -5.713 2.121 1.00 25.00 C ATOM 290 CG LEU A 603 8.144 -5.583 2.979 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.197 -4.764 2.275 1.00 25.00 C ATOM 292 CD2 LEU A 603 7.923 -4.989 4.365 1.00 25.00 C ATOM 0 H LEU A 603 6.118 -8.045 2.165 1.00 25.00 H new ATOM 0 HA LEU A 603 5.509 -5.777 3.845 1.00 25.00 H new ATOM 0 HB2 LEU A 603 7.038 -6.427 1.322 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.657 -4.748 1.648 1.00 25.00 H new ATOM 0 HG LEU A 603 8.483 -6.611 3.105 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.086 -4.698 2.902 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.455 -5.239 1.329 1.00 25.00 H new ATOM 0 HD13 LEU A 603 8.812 -3.762 2.085 1.00 25.00 H new ATOM 0 HD21 LEU A 603 8.875 -4.933 4.893 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.502 -3.988 4.269 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.233 -5.620 4.926 1.00 25.00 H new ATOM 304 N VAL A 604 3.870 -6.306 1.057 1.00 25.00 N ATOM 305 CA VAL A 604 2.701 -5.963 0.258 1.00 25.00 C ATOM 306 C VAL A 604 1.403 -6.433 0.950 1.00 25.00 C ATOM 307 O VAL A 604 0.358 -5.797 0.805 1.00 25.00 O ATOM 308 CB VAL A 604 2.874 -6.563 -1.172 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.567 -6.685 -1.945 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.847 -5.705 -1.962 1.00 25.00 C ATOM 0 H VAL A 604 4.319 -7.174 0.765 1.00 25.00 H new ATOM 0 HA VAL A 604 2.616 -4.880 0.164 1.00 25.00 H new ATOM 0 HB VAL A 604 3.256 -7.576 -1.043 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.765 -7.109 -2.929 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.882 -7.335 -1.401 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.118 -5.698 -2.059 1.00 25.00 H new ATOM 0 HG21 VAL A 604 3.970 -6.121 -2.962 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.458 -4.689 -2.037 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.812 -5.688 -1.455 1.00 25.00 H new ATOM 320 N HIS A 605 1.492 -7.541 1.705 1.00 25.00 N ATOM 321 CA HIS A 605 0.361 -8.048 2.503 1.00 25.00 C ATOM 322 C HIS A 605 0.176 -7.206 3.780 1.00 25.00 C ATOM 323 O HIS A 605 -0.876 -7.252 4.422 1.00 25.00 O ATOM 324 CB HIS A 605 0.578 -9.532 2.851 1.00 25.00 C ATOM 325 CG HIS A 605 0.266 -10.484 1.732 1.00 25.00 C ATOM 326 ND1 HIS A 605 0.516 -11.839 1.799 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.266 -10.263 0.508 1.00 25.00 C ATOM 328 CE1 HIS A 605 0.149 -12.410 0.664 1.00 25.00 C ATOM 329 NE2 HIS A 605 -0.329 -11.474 -0.135 1.00 25.00 N ATOM 0 H HIS A 605 2.339 -8.105 1.780 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.549 -7.963 1.910 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.616 -9.674 3.154 1.00 25.00 H new ATOM 0 HB3 HIS A 605 -0.042 -9.785 3.711 1.00 25.00 H new ATOM 0 HD2 HIS A 605 -0.583 -9.310 0.110 1.00 25.00 H new ATOM 0 HE1 HIS A 605 0.227 -13.462 0.431 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -0.687 -11.626 -1.078 1.00 25.00 H new ATOM 338 N LYS A 606 1.222 -6.444 4.120 1.00 25.00 N ATOM 339 CA LYS A 606 1.214 -5.509 5.257 1.00 25.00 C ATOM 340 C LYS A 606 0.614 -4.172 4.795 1.00 25.00 C ATOM 341 O LYS A 606 0.059 -3.398 5.578 1.00 25.00 O ATOM 342 CB LYS A 606 2.664 -5.307 5.727 1.00 25.00 C ATOM 343 CG LYS A 606 2.844 -4.409 6.943 1.00 25.00 C ATOM 344 CD LYS A 606 4.292 -4.379 7.374 1.00 25.00 C ATOM 345 CE LYS A 606 4.490 -3.438 8.551 1.00 25.00 C ATOM 346 NZ LYS A 606 5.907 -3.393 9.011 1.00 25.00 N ATOM 0 H LYS A 606 2.106 -6.457 3.611 1.00 25.00 H new ATOM 0 HA LYS A 606 0.616 -5.902 6.079 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.093 -6.283 5.952 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.240 -4.889 4.901 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.508 -3.399 6.708 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.223 -4.769 7.763 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.614 -5.383 7.648 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.917 -4.060 6.540 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.171 -2.435 8.268 1.00 25.00 H new ATOM 0 HE3 LYS A 606 3.853 -3.754 9.377 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 5.990 -2.738 9.815 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.206 -4.344 9.307 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.514 -3.065 8.233 1.00 25.00 H new ATOM 360 N LEU A 607 0.767 -3.955 3.495 1.00 25.00 N ATOM 361 CA LEU A 607 0.369 -2.750 2.792 1.00 25.00 C ATOM 362 C LEU A 607 -1.097 -2.821 2.320 1.00 25.00 C ATOM 363 O LEU A 607 -1.830 -1.838 2.418 1.00 25.00 O ATOM 364 CB LEU A 607 1.372 -2.620 1.649 1.00 25.00 C ATOM 365 CG LEU A 607 1.272 -1.452 0.649 1.00 25.00 C ATOM 366 CD1 LEU A 607 1.154 -0.081 1.306 1.00 25.00 C ATOM 367 CD2 LEU A 607 2.514 -1.472 -0.202 1.00 25.00 C ATOM 0 H LEU A 607 1.191 -4.647 2.878 1.00 25.00 H new ATOM 0 HA LEU A 607 0.391 -1.866 3.429 1.00 25.00 H new ATOM 0 HB2 LEU A 607 2.365 -2.576 2.096 1.00 25.00 H new ATOM 0 HB3 LEU A 607 1.323 -3.543 1.071 1.00 25.00 H new ATOM 0 HG LEU A 607 0.359 -1.596 0.071 1.00 25.00 H new ATOM 0 HD11 LEU A 607 1.088 0.687 0.536 1.00 25.00 H new ATOM 0 HD12 LEU A 607 0.258 -0.051 1.926 1.00 25.00 H new ATOM 0 HD13 LEU A 607 2.031 0.102 1.927 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.474 -0.655 -0.923 1.00 25.00 H new ATOM 0 HD22 LEU A 607 3.392 -1.354 0.433 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.576 -2.422 -0.733 1.00 25.00 H new ATOM 379 N VAL A 608 -1.506 -4.004 1.831 1.00 25.00 N ATOM 380 CA VAL A 608 -2.891 -4.261 1.376 1.00 25.00 C ATOM 381 C VAL A 608 -3.863 -4.397 2.575 1.00 25.00 C ATOM 382 O VAL A 608 -5.070 -4.195 2.416 1.00 25.00 O ATOM 383 CB VAL A 608 -2.940 -5.539 0.463 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.365 -6.006 0.176 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.225 -5.280 -0.862 1.00 25.00 C ATOM 0 H VAL A 608 -0.889 -4.811 1.738 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.217 -3.404 0.787 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.433 -6.329 1.017 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.337 -6.892 -0.459 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -4.865 -6.248 1.114 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -4.912 -5.212 -0.333 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.269 -6.176 -1.481 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -2.711 -4.455 -1.383 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.183 -5.023 -0.669 1.00 25.00 H new ATOM 395 N GLN A 609 -3.328 -4.713 3.764 1.00 25.00 N ATOM 396 CA GLN A 609 -4.157 -4.891 4.967 1.00 25.00 C ATOM 397 C GLN A 609 -4.469 -3.541 5.635 1.00 25.00 C ATOM 398 O GLN A 609 -5.495 -3.394 6.305 1.00 25.00 O ATOM 399 CB GLN A 609 -3.501 -5.872 5.957 1.00 25.00 C ATOM 400 CG GLN A 609 -3.782 -7.331 5.655 1.00 25.00 C ATOM 401 CD GLN A 609 -3.271 -8.312 6.708 1.00 25.00 C ATOM 402 OE1 GLN A 609 -4.063 -8.958 7.394 1.00 25.00 O ATOM 403 NE2 GLN A 609 -1.949 -8.414 6.866 1.00 25.00 N ATOM 0 H GLN A 609 -2.329 -4.850 3.919 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.105 -5.327 4.654 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.423 -5.711 5.952 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -3.852 -5.646 6.964 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -4.858 -7.464 5.546 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.331 -7.582 4.695 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -1.321 -7.864 6.280 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -1.567 -9.042 7.573 1.00 25.00 H new ATOM 412 N ALA A 610 -3.566 -2.567 5.438 1.00 25.00 N ATOM 413 CA ALA A 610 -3.770 -1.196 5.908 1.00 25.00 C ATOM 414 C ALA A 610 -4.727 -0.425 4.991 1.00 25.00 C ATOM 415 O ALA A 610 -5.352 0.549 5.415 1.00 25.00 O ATOM 416 CB ALA A 610 -2.432 -0.483 5.996 1.00 25.00 C ATOM 0 H ALA A 610 -2.681 -2.711 4.951 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.225 -1.237 6.897 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.586 0.538 6.346 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.783 -1.012 6.694 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.965 -0.462 5.011 1.00 25.00 H new ATOM 422 N ILE A 611 -4.838 -0.879 3.733 1.00 25.00 N ATOM 423 CA ILE A 611 -5.751 -0.275 2.756 1.00 25.00 C ATOM 424 C ILE A 611 -7.140 -0.929 2.881 1.00 25.00 C ATOM 425 O ILE A 611 -8.131 -0.240 3.141 1.00 25.00 O ATOM 426 CB ILE A 611 -5.200 -0.391 1.292 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.884 0.398 1.154 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.228 0.136 0.288 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.094 0.145 -0.125 1.00 25.00 C ATOM 0 H ILE A 611 -4.302 -1.667 3.369 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.835 0.790 2.974 1.00 25.00 H new ATOM 0 HB ILE A 611 -5.009 -1.443 1.080 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -4.112 1.462 1.214 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.247 0.159 2.006 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.828 0.048 -0.722 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.146 -0.446 0.367 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.443 1.183 0.503 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.187 0.750 -0.118 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.826 -0.910 -0.184 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.703 0.413 -0.988 1.00 25.00 H new ATOM 441 N PHE A 612 -7.198 -2.258 2.689 1.00 25.00 N ATOM 442 CA PHE A 612 -8.407 -3.032 2.946 1.00 25.00 C ATOM 443 C PHE A 612 -8.037 -4.422 3.516 1.00 25.00 C ATOM 444 O PHE A 612 -7.543 -5.278 2.772 1.00 25.00 O ATOM 445 CB PHE A 612 -9.257 -3.163 1.660 1.00 25.00 C ATOM 446 CG PHE A 612 -10.621 -3.775 1.872 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.693 -2.977 2.225 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.825 -5.136 1.707 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.949 -3.523 2.412 1.00 25.00 C ATOM 450 CE2 PHE A 612 -12.077 -5.689 1.894 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.142 -4.881 2.245 1.00 25.00 C ATOM 0 H PHE A 612 -6.411 -2.814 2.354 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.009 -2.507 3.688 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.381 -2.174 1.219 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.709 -3.768 0.937 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.548 -1.915 2.356 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.996 -5.771 1.429 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.778 -2.889 2.688 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -12.223 -6.751 1.766 1.00 25.00 H new ATOM 0 HZ PHE A 612 -14.123 -5.310 2.388 1.00 25.00 H new ATOM 461 N PRO A 613 -8.255 -4.671 4.848 1.00 25.00 N ATOM 462 CA PRO A 613 -8.043 -6.002 5.437 1.00 25.00 C ATOM 463 C PRO A 613 -9.223 -6.950 5.187 1.00 25.00 C ATOM 464 O PRO A 613 -10.379 -6.516 5.159 1.00 25.00 O ATOM 465 CB PRO A 613 -7.877 -5.713 6.932 1.00 25.00 C ATOM 466 CG PRO A 613 -8.686 -4.484 7.210 1.00 25.00 C ATOM 467 CD PRO A 613 -8.688 -3.683 5.873 1.00 25.00 C ATOM 0 HA PRO A 613 -7.184 -6.509 4.997 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -8.226 -6.553 7.532 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -6.828 -5.555 7.184 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -9.700 -4.741 7.516 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -8.248 -3.899 8.019 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.678 -3.286 5.649 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.007 -2.833 5.918 1.00 25.00 H new ATOM 475 N THR A 614 -8.918 -8.240 5.007 1.00 25.00 N ATOM 476 CA THR A 614 -9.941 -9.243 4.711 1.00 25.00 C ATOM 477 C THR A 614 -9.637 -10.596 5.383 1.00 25.00 C ATOM 478 O THR A 614 -8.550 -11.154 5.203 1.00 25.00 O ATOM 479 CB THR A 614 -10.177 -9.439 3.185 1.00 25.00 C ATOM 480 OG1 THR A 614 -10.561 -8.200 2.570 1.00 25.00 O ATOM 481 CG2 THR A 614 -11.231 -10.500 2.893 1.00 25.00 C ATOM 0 H THR A 614 -7.970 -8.612 5.062 1.00 25.00 H new ATOM 0 HA THR A 614 -10.864 -8.848 5.135 1.00 25.00 H new ATOM 0 HB THR A 614 -9.232 -9.782 2.763 1.00 25.00 H new ATOM 0 HG1 THR A 614 -11.318 -7.814 3.058 1.00 25.00 H new ATOM 0 HG21 THR A 614 -11.359 -10.599 1.815 1.00 25.00 H new ATOM 0 HG22 THR A 614 -10.911 -11.455 3.310 1.00 25.00 H new ATOM 0 HG23 THR A 614 -12.178 -10.206 3.345 1.00 25.00 H new ATOM 489 N PRO A 615 -10.611 -11.127 6.190 1.00 25.00 N ATOM 490 CA PRO A 615 -10.561 -12.495 6.764 1.00 25.00 C ATOM 491 C PRO A 615 -10.234 -13.592 5.742 1.00 25.00 C ATOM 492 O PRO A 615 -9.331 -14.403 5.954 1.00 25.00 O ATOM 493 CB PRO A 615 -11.984 -12.693 7.275 1.00 25.00 C ATOM 494 CG PRO A 615 -12.441 -11.328 7.641 1.00 25.00 C ATOM 495 CD PRO A 615 -11.828 -10.405 6.650 1.00 25.00 C ATOM 0 HA PRO A 615 -9.774 -12.575 7.514 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -12.623 -13.134 6.510 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -12.008 -13.363 8.134 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -13.529 -11.261 7.614 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -12.131 -11.073 8.654 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -12.507 -10.200 5.822 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.576 -9.445 7.101 1.00 25.00 H new ATOM 503 N ASP A 616 -10.998 -13.601 4.646 1.00 25.00 N ATOM 504 CA ASP A 616 -10.842 -14.589 3.571 1.00 25.00 C ATOM 505 C ASP A 616 -9.777 -14.154 2.547 1.00 25.00 C ATOM 506 O ASP A 616 -9.942 -13.122 1.886 1.00 25.00 O ATOM 507 CB ASP A 616 -12.182 -14.828 2.861 1.00 25.00 C ATOM 508 CG ASP A 616 -12.150 -16.027 1.930 1.00 25.00 C ATOM 509 OD1 ASP A 616 -11.076 -16.652 1.803 1.00 25.00 O ATOM 510 OD2 ASP A 616 -13.200 -16.342 1.328 1.00 25.00 O ATOM 0 H ASP A 616 -11.742 -12.924 4.478 1.00 25.00 H new ATOM 0 HA ASP A 616 -10.508 -15.519 4.031 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -12.962 -14.975 3.608 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -12.449 -13.938 2.291 1.00 25.00 H new ATOM 515 N PRO A 617 -8.648 -14.927 2.409 1.00 25.00 N ATOM 516 CA PRO A 617 -7.616 -14.673 1.367 1.00 25.00 C ATOM 517 C PRO A 617 -8.131 -14.829 -0.080 1.00 25.00 C ATOM 518 O PRO A 617 -7.435 -14.463 -1.032 1.00 25.00 O ATOM 519 CB PRO A 617 -6.541 -15.732 1.661 1.00 25.00 C ATOM 520 CG PRO A 617 -6.745 -16.102 3.090 1.00 25.00 C ATOM 521 CD PRO A 617 -8.247 -16.071 3.277 1.00 25.00 C ATOM 0 HA PRO A 617 -7.264 -13.642 1.416 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -6.652 -16.599 1.009 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -5.540 -15.335 1.495 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -6.338 -17.090 3.307 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -6.247 -15.399 3.757 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -8.716 -17.004 2.964 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -8.525 -15.909 4.319 1.00 25.00 H new ATOM 529 N ALA A 618 -9.353 -15.369 -0.227 1.00 25.00 N ATOM 530 CA ALA A 618 -9.961 -15.620 -1.544 1.00 25.00 C ATOM 531 C ALA A 618 -10.468 -14.333 -2.216 1.00 25.00 C ATOM 532 O ALA A 618 -10.820 -14.344 -3.401 1.00 25.00 O ATOM 533 CB ALA A 618 -11.095 -16.628 -1.405 1.00 25.00 C ATOM 0 H ALA A 618 -9.943 -15.642 0.559 1.00 25.00 H new ATOM 0 HA ALA A 618 -9.183 -16.027 -2.190 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -11.542 -16.810 -2.382 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -10.703 -17.563 -1.005 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -11.852 -16.233 -0.728 1.00 25.00 H new ATOM 539 N ALA A 619 -10.494 -13.228 -1.454 1.00 25.00 N ATOM 540 CA ALA A 619 -10.914 -11.918 -1.974 1.00 25.00 C ATOM 541 C ALA A 619 -9.772 -11.204 -2.702 1.00 25.00 C ATOM 542 O ALA A 619 -10.008 -10.263 -3.468 1.00 25.00 O ATOM 543 CB ALA A 619 -11.423 -11.042 -0.838 1.00 25.00 C ATOM 0 H ALA A 619 -10.227 -13.217 -0.470 1.00 25.00 H new ATOM 0 HA ALA A 619 -11.716 -12.092 -2.692 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -11.731 -10.075 -1.235 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.274 -11.526 -0.359 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -10.628 -10.898 -0.106 1.00 25.00 H new ATOM 549 N LEU A 620 -8.538 -11.668 -2.463 1.00 25.00 N ATOM 550 CA LEU A 620 -7.340 -11.057 -3.034 1.00 25.00 C ATOM 551 C LEU A 620 -7.051 -11.568 -4.459 1.00 25.00 C ATOM 552 O LEU A 620 -6.068 -11.157 -5.085 1.00 25.00 O ATOM 553 CB LEU A 620 -6.134 -11.338 -2.120 1.00 25.00 C ATOM 554 CG LEU A 620 -6.152 -10.667 -0.732 1.00 25.00 C ATOM 555 CD1 LEU A 620 -4.984 -11.161 0.107 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.095 -9.144 -0.848 1.00 25.00 C ATOM 0 H LEU A 620 -8.347 -12.475 -1.870 1.00 25.00 H new ATOM 0 HA LEU A 620 -7.514 -9.983 -3.103 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -6.058 -12.416 -1.977 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -5.230 -11.021 -2.640 1.00 25.00 H new ATOM 0 HG LEU A 620 -7.089 -10.938 -0.245 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -5.009 -10.679 1.084 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -5.058 -12.241 0.233 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -4.047 -10.917 -0.394 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -6.109 -8.702 0.148 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.179 -8.852 -1.361 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -6.956 -8.790 -1.414 1.00 25.00 H new ATOM 568 N LYS A 621 -7.923 -12.454 -4.964 1.00 25.00 N ATOM 569 CA LYS A 621 -7.775 -13.027 -6.308 1.00 25.00 C ATOM 570 C LYS A 621 -8.773 -12.394 -7.290 1.00 25.00 C ATOM 571 O LYS A 621 -8.984 -12.902 -8.398 1.00 25.00 O ATOM 572 CB LYS A 621 -7.964 -14.558 -6.266 1.00 25.00 C ATOM 573 CG LYS A 621 -6.959 -15.315 -5.388 1.00 25.00 C ATOM 574 CD LYS A 621 -7.177 -16.823 -5.409 1.00 25.00 C ATOM 575 CE LYS A 621 -6.281 -17.507 -4.409 1.00 25.00 C ATOM 576 NZ LYS A 621 -6.506 -18.977 -4.366 1.00 25.00 N ATOM 0 H LYS A 621 -8.742 -12.790 -4.457 1.00 25.00 H new ATOM 0 HA LYS A 621 -6.767 -12.808 -6.659 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -8.971 -14.774 -5.908 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -7.897 -14.945 -7.283 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -5.947 -15.094 -5.728 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -7.036 -14.955 -4.362 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -8.219 -17.047 -5.183 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -6.977 -17.210 -6.408 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -5.239 -17.308 -4.661 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -6.456 -17.085 -3.419 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -5.868 -19.405 -3.665 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -7.493 -19.170 -4.100 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -6.314 -19.385 -5.303 1.00 25.00 H new ATOM 590 N ASP A 622 -9.364 -11.267 -6.874 1.00 25.00 N ATOM 591 CA ASP A 622 -10.379 -10.566 -7.662 1.00 25.00 C ATOM 592 C ASP A 622 -9.726 -9.554 -8.618 1.00 25.00 C ATOM 593 O ASP A 622 -8.596 -9.107 -8.397 1.00 25.00 O ATOM 594 CB ASP A 622 -11.357 -9.865 -6.707 1.00 25.00 C ATOM 595 CG ASP A 622 -12.605 -9.349 -7.405 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.369 -10.177 -7.944 1.00 25.00 O ATOM 597 OD2 ASP A 622 -12.818 -8.118 -7.409 1.00 25.00 O ATOM 0 H ASP A 622 -9.151 -10.818 -5.983 1.00 25.00 H new ATOM 0 HA ASP A 622 -10.925 -11.286 -8.272 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.649 -10.561 -5.921 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -10.848 -9.032 -6.222 1.00 25.00 H new ATOM 602 N ARG A 623 -10.468 -9.204 -9.682 1.00 25.00 N ATOM 603 CA ARG A 623 -9.982 -8.306 -10.749 1.00 25.00 C ATOM 604 C ARG A 623 -10.048 -6.851 -10.304 1.00 25.00 C ATOM 605 O ARG A 623 -9.179 -6.042 -10.636 1.00 25.00 O ATOM 606 CB ARG A 623 -10.826 -8.467 -12.027 1.00 25.00 C ATOM 607 CG ARG A 623 -10.843 -9.876 -12.586 1.00 25.00 C ATOM 608 CD ARG A 623 -9.546 -10.224 -13.310 1.00 25.00 C ATOM 609 NE ARG A 623 -8.448 -10.495 -12.375 1.00 25.00 N ATOM 610 CZ ARG A 623 -8.205 -11.687 -11.806 1.00 25.00 C ATOM 611 NH1 ARG A 623 -8.966 -12.748 -12.069 1.00 25.00 N ATOM 612 NH2 ARG A 623 -7.186 -11.813 -10.966 1.00 25.00 N ATOM 0 H ARG A 623 -11.422 -9.534 -9.829 1.00 25.00 H new ATOM 0 HA ARG A 623 -8.947 -8.579 -10.957 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -11.850 -8.160 -11.814 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -10.442 -7.790 -12.790 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.006 -10.585 -11.774 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -11.681 -9.982 -13.275 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -9.707 -11.097 -13.942 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -9.267 -9.401 -13.968 1.00 25.00 H new ATOM 0 HE ARG A 623 -7.825 -9.723 -12.140 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -9.752 -12.665 -12.714 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -8.763 -13.644 -11.625 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -6.595 -11.008 -10.757 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -6.994 -12.714 -10.529 1.00 25.00 H new ATOM 626 N ARG A 624 -11.113 -6.544 -9.558 1.00 25.00 N ATOM 627 CA ARG A 624 -11.349 -5.194 -9.010 1.00 25.00 C ATOM 628 C ARG A 624 -10.387 -4.866 -7.858 1.00 25.00 C ATOM 629 O ARG A 624 -10.129 -3.694 -7.573 1.00 25.00 O ATOM 630 CB ARG A 624 -12.803 -5.058 -8.534 1.00 25.00 C ATOM 631 CG ARG A 624 -13.831 -5.152 -9.655 1.00 25.00 C ATOM 632 CD ARG A 624 -15.244 -4.931 -9.144 1.00 25.00 C ATOM 633 NE ARG A 624 -15.801 -6.148 -8.540 1.00 25.00 N ATOM 634 CZ ARG A 624 -17.035 -6.253 -8.022 1.00 25.00 C ATOM 635 NH1 ARG A 624 -17.874 -5.218 -8.020 1.00 25.00 N ATOM 636 NH2 ARG A 624 -17.428 -7.407 -7.500 1.00 25.00 N ATOM 0 H ARG A 624 -11.838 -7.219 -9.314 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.162 -4.480 -9.812 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -13.009 -5.836 -7.799 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.921 -4.101 -8.026 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.602 -4.412 -10.422 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -13.765 -6.132 -10.128 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -15.243 -4.127 -8.408 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -15.882 -4.609 -9.967 1.00 25.00 H new ATOM 0 HE ARG A 624 -15.206 -6.976 -8.512 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -17.583 -4.325 -8.417 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -18.807 -5.319 -7.621 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -16.794 -8.206 -7.494 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -18.364 -7.495 -7.104 1.00 25.00 H new ATOM 650 N MET A 625 -9.856 -5.914 -7.213 1.00 25.00 N ATOM 651 CA MET A 625 -8.893 -5.768 -6.115 1.00 25.00 C ATOM 652 C MET A 625 -7.455 -5.721 -6.652 1.00 25.00 C ATOM 653 O MET A 625 -6.604 -5.015 -6.104 1.00 25.00 O ATOM 654 CB MET A 625 -9.053 -6.938 -5.131 1.00 25.00 C ATOM 655 CG MET A 625 -8.057 -6.932 -3.969 1.00 25.00 C ATOM 656 SD MET A 625 -8.805 -7.444 -2.410 1.00 25.00 S ATOM 657 CE MET A 625 -8.335 -6.081 -1.355 1.00 25.00 C ATOM 0 H MET A 625 -10.082 -6.883 -7.437 1.00 25.00 H new ATOM 0 HA MET A 625 -9.092 -4.830 -5.598 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.065 -6.919 -4.726 1.00 25.00 H new ATOM 0 HB3 MET A 625 -8.947 -7.874 -5.679 1.00 25.00 H new ATOM 0 HG2 MET A 625 -7.226 -7.597 -4.204 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.642 -5.930 -3.857 1.00 25.00 H new ATOM 0 HE1 MET A 625 -8.724 -6.248 -0.350 1.00 25.00 H new ATOM 0 HE2 MET A 625 -7.248 -6.009 -1.316 1.00 25.00 H new ATOM 0 HE3 MET A 625 -8.746 -5.154 -1.754 1.00 25.00 H new ATOM 667 N GLU A 626 -7.206 -6.490 -7.724 1.00 25.00 N ATOM 668 CA GLU A 626 -5.890 -6.565 -8.385 1.00 25.00 C ATOM 669 C GLU A 626 -5.354 -5.175 -8.809 1.00 25.00 C ATOM 670 O GLU A 626 -4.148 -5.011 -9.015 1.00 25.00 O ATOM 671 CB GLU A 626 -5.978 -7.501 -9.604 1.00 25.00 C ATOM 672 CG GLU A 626 -4.632 -7.820 -10.254 1.00 25.00 C ATOM 673 CD GLU A 626 -4.759 -8.780 -11.421 1.00 25.00 C ATOM 674 OE1 GLU A 626 -5.903 -9.120 -11.789 1.00 25.00 O ATOM 675 OE2 GLU A 626 -3.712 -9.192 -11.967 1.00 25.00 O ATOM 0 H GLU A 626 -7.914 -7.081 -8.160 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.181 -6.965 -7.660 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.450 -8.434 -9.297 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.629 -7.046 -10.350 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.171 -6.894 -10.599 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -3.965 -8.249 -9.507 1.00 25.00 H new ATOM 682 N ASN A 627 -6.262 -4.187 -8.928 1.00 25.00 N ATOM 683 CA ASN A 627 -5.904 -2.819 -9.334 1.00 25.00 C ATOM 684 C ASN A 627 -5.026 -2.119 -8.278 1.00 25.00 C ATOM 685 O ASN A 627 -4.070 -1.424 -8.635 1.00 25.00 O ATOM 686 CB ASN A 627 -7.181 -1.995 -9.594 1.00 25.00 C ATOM 687 CG ASN A 627 -7.900 -2.386 -10.877 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.292 -2.910 -11.809 1.00 25.00 O ATOM 689 ND2 ASN A 627 -9.203 -2.126 -10.930 1.00 25.00 N ATOM 0 H ASN A 627 -7.257 -4.316 -8.746 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.322 -2.887 -10.253 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.862 -2.118 -8.752 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.920 -0.938 -9.640 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.737 -2.362 -11.766 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.669 -1.690 -10.134 1.00 25.00 H new ATOM 696 N LEU A 628 -5.354 -2.306 -6.986 1.00 25.00 N ATOM 697 CA LEU A 628 -4.591 -1.675 -5.905 1.00 25.00 C ATOM 698 C LEU A 628 -3.386 -2.540 -5.502 1.00 25.00 C ATOM 699 O LEU A 628 -2.381 -2.020 -5.012 1.00 25.00 O ATOM 700 CB LEU A 628 -5.510 -1.295 -4.705 1.00 25.00 C ATOM 701 CG LEU A 628 -6.641 -0.269 -4.912 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.527 -0.189 -3.684 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.052 1.097 -5.180 1.00 25.00 C ATOM 0 H LEU A 628 -6.134 -2.883 -6.672 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.182 -0.735 -6.275 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -5.966 -2.215 -4.339 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.868 -0.918 -3.909 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.240 -0.592 -5.764 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.318 0.541 -3.853 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -7.970 -1.166 -3.491 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -6.930 0.115 -2.824 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -6.856 1.818 -5.326 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -5.440 1.402 -4.331 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.434 1.057 -6.077 1.00 25.00 H new ATOM 715 N VAL A 629 -3.508 -3.865 -5.699 1.00 25.00 N ATOM 716 CA VAL A 629 -2.376 -4.803 -5.553 1.00 25.00 C ATOM 717 C VAL A 629 -1.228 -4.382 -6.491 1.00 25.00 C ATOM 718 O VAL A 629 -0.050 -4.530 -6.161 1.00 25.00 O ATOM 719 CB VAL A 629 -2.832 -6.266 -5.869 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.675 -7.271 -5.829 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.936 -6.700 -4.910 1.00 25.00 C ATOM 0 H VAL A 629 -4.385 -4.315 -5.962 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.022 -4.772 -4.523 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.216 -6.260 -6.889 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.051 -8.268 -6.056 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -0.924 -6.990 -6.567 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.226 -7.270 -4.836 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.241 -7.720 -5.144 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.565 -6.658 -3.886 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.791 -6.032 -5.014 1.00 25.00 H new ATOM 731 N ALA A 630 -1.619 -3.852 -7.651 1.00 25.00 N ATOM 732 CA ALA A 630 -0.693 -3.326 -8.644 1.00 25.00 C ATOM 733 C ALA A 630 -0.167 -1.938 -8.241 1.00 25.00 C ATOM 734 O ALA A 630 0.857 -1.481 -8.753 1.00 25.00 O ATOM 735 CB ALA A 630 -1.395 -3.286 -9.989 1.00 25.00 C ATOM 0 H ALA A 630 -2.598 -3.777 -7.926 1.00 25.00 H new ATOM 0 HA ALA A 630 0.177 -3.979 -8.710 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.713 -2.894 -10.744 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.705 -4.293 -10.268 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.272 -2.642 -9.923 1.00 25.00 H new ATOM 741 N TYR A 631 -0.894 -1.285 -7.317 1.00 25.00 N ATOM 742 CA TYR A 631 -0.465 -0.023 -6.695 1.00 25.00 C ATOM 743 C TYR A 631 0.564 -0.288 -5.580 1.00 25.00 C ATOM 744 O TYR A 631 1.477 0.514 -5.367 1.00 25.00 O ATOM 745 CB TYR A 631 -1.711 0.730 -6.148 1.00 25.00 C ATOM 746 CG TYR A 631 -2.659 1.320 -7.193 1.00 25.00 C ATOM 747 CD1 TYR A 631 -2.589 0.944 -8.534 1.00 25.00 C ATOM 748 CD2 TYR A 631 -3.612 2.268 -6.825 1.00 25.00 C ATOM 749 CE1 TYR A 631 -3.438 1.496 -9.474 1.00 25.00 C ATOM 750 CE2 TYR A 631 -4.466 2.819 -7.764 1.00 25.00 C ATOM 751 CZ TYR A 631 -4.374 2.432 -9.084 1.00 25.00 C ATOM 752 OH TYR A 631 -5.221 2.982 -10.019 1.00 25.00 O ATOM 0 H TYR A 631 -1.797 -1.620 -6.981 1.00 25.00 H new ATOM 0 HA TYR A 631 0.022 0.603 -7.443 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.278 0.042 -5.521 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -1.366 1.539 -5.503 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -1.860 0.210 -8.843 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -3.685 2.577 -5.793 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -3.369 1.196 -10.509 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -5.202 3.550 -7.464 1.00 25.00 H new ATOM 0 HH TYR A 631 -5.383 2.333 -10.735 1.00 25.00 H new ATOM 762 N ALA A 632 0.393 -1.411 -4.875 1.00 25.00 N ATOM 763 CA ALA A 632 1.272 -1.783 -3.766 1.00 25.00 C ATOM 764 C ALA A 632 2.532 -2.511 -4.244 1.00 25.00 C ATOM 765 O ALA A 632 3.609 -2.346 -3.666 1.00 25.00 O ATOM 766 CB ALA A 632 0.524 -2.654 -2.784 1.00 25.00 C ATOM 0 H ALA A 632 -0.353 -2.082 -5.056 1.00 25.00 H new ATOM 0 HA ALA A 632 1.588 -0.860 -3.280 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.186 -2.926 -1.962 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.334 -2.107 -2.393 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.180 -3.558 -3.288 1.00 25.00 H new ATOM 772 N LYS A 633 2.382 -3.328 -5.298 1.00 25.00 N ATOM 773 CA LYS A 633 3.482 -4.129 -5.850 1.00 25.00 C ATOM 774 C LYS A 633 4.583 -3.254 -6.479 1.00 25.00 C ATOM 775 O LYS A 633 5.744 -3.667 -6.549 1.00 25.00 O ATOM 776 CB LYS A 633 2.922 -5.103 -6.901 1.00 25.00 C ATOM 777 CG LYS A 633 2.401 -6.432 -6.347 1.00 25.00 C ATOM 778 CD LYS A 633 1.859 -7.339 -7.448 1.00 25.00 C ATOM 779 CE LYS A 633 1.564 -8.750 -6.948 1.00 25.00 C ATOM 780 NZ LYS A 633 0.460 -9.409 -7.707 1.00 25.00 N ATOM 0 H LYS A 633 1.497 -3.451 -5.789 1.00 25.00 H new ATOM 0 HA LYS A 633 3.939 -4.680 -5.029 1.00 25.00 H new ATOM 0 HB2 LYS A 633 2.111 -4.608 -7.436 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.704 -5.314 -7.631 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.205 -6.944 -5.819 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.614 -6.237 -5.618 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.947 -6.904 -7.857 1.00 25.00 H new ATOM 0 HD3 LYS A 633 2.582 -7.389 -8.262 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.467 -9.356 -7.028 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.300 -8.709 -5.891 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.300 -10.364 -7.328 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.410 -8.848 -7.611 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 0.720 -9.475 -8.712 1.00 25.00 H new ATOM 794 N LYS A 634 4.198 -2.050 -6.928 1.00 25.00 N ATOM 795 CA LYS A 634 5.110 -1.109 -7.564 1.00 25.00 C ATOM 796 C LYS A 634 5.868 -0.235 -6.549 1.00 25.00 C ATOM 797 O LYS A 634 7.002 0.176 -6.816 1.00 25.00 O ATOM 798 CB LYS A 634 4.343 -0.233 -8.561 1.00 25.00 C ATOM 799 CG LYS A 634 5.200 0.816 -9.253 1.00 25.00 C ATOM 800 CD LYS A 634 6.362 0.207 -10.037 1.00 25.00 C ATOM 801 CE LYS A 634 7.306 1.273 -10.587 1.00 25.00 C ATOM 802 NZ LYS A 634 8.414 0.676 -11.382 1.00 25.00 N ATOM 0 H LYS A 634 3.240 -1.708 -6.856 1.00 25.00 H new ATOM 0 HA LYS A 634 5.862 -1.694 -8.093 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.890 -0.874 -9.318 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.528 0.267 -8.037 1.00 25.00 H new ATOM 0 HG2 LYS A 634 4.576 1.399 -9.931 1.00 25.00 H new ATOM 0 HG3 LYS A 634 5.593 1.507 -8.507 1.00 25.00 H new ATOM 0 HD2 LYS A 634 6.919 -0.471 -9.390 1.00 25.00 H new ATOM 0 HD3 LYS A 634 5.970 -0.389 -10.861 1.00 25.00 H new ATOM 0 HE2 LYS A 634 6.745 1.968 -11.211 1.00 25.00 H new ATOM 0 HE3 LYS A 634 7.722 1.851 -9.761 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 9.033 1.432 -11.738 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 8.966 0.032 -10.780 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 8.019 0.146 -12.185 1.00 25.00 H new ATOM 816 N VAL A 635 5.242 0.042 -5.390 1.00 25.00 N ATOM 817 CA VAL A 635 5.860 0.895 -4.357 1.00 25.00 C ATOM 818 C VAL A 635 6.989 0.157 -3.614 1.00 25.00 C ATOM 819 O VAL A 635 8.012 0.753 -3.286 1.00 25.00 O ATOM 820 CB VAL A 635 4.823 1.471 -3.331 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.517 2.228 -2.205 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.774 2.372 -3.981 1.00 25.00 C ATOM 0 H VAL A 635 4.316 -0.309 -5.146 1.00 25.00 H new ATOM 0 HA VAL A 635 6.286 1.743 -4.893 1.00 25.00 H new ATOM 0 HB VAL A 635 4.305 0.604 -2.920 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.770 2.614 -1.512 1.00 25.00 H new ATOM 0 HG12 VAL A 635 6.190 1.555 -1.675 1.00 25.00 H new ATOM 0 HG13 VAL A 635 6.088 3.058 -2.622 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.086 2.738 -3.219 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.267 3.217 -4.461 1.00 25.00 H new ATOM 0 HG23 VAL A 635 3.219 1.804 -4.728 1.00 25.00 H new ATOM 832 N GLU A 636 6.793 -1.154 -3.386 1.00 25.00 N ATOM 833 CA GLU A 636 7.775 -2.005 -2.691 1.00 25.00 C ATOM 834 C GLU A 636 9.081 -2.130 -3.499 1.00 25.00 C ATOM 835 O GLU A 636 10.160 -2.280 -2.921 1.00 25.00 O ATOM 836 CB GLU A 636 7.176 -3.408 -2.472 1.00 25.00 C ATOM 837 CG GLU A 636 6.830 -4.183 -3.749 1.00 25.00 C ATOM 838 CD GLU A 636 7.987 -5.002 -4.310 1.00 25.00 C ATOM 839 OE1 GLU A 636 9.012 -5.140 -3.610 1.00 25.00 O ATOM 840 OE2 GLU A 636 7.864 -5.501 -5.448 1.00 25.00 O ATOM 0 H GLU A 636 5.952 -1.652 -3.677 1.00 25.00 H new ATOM 0 HA GLU A 636 8.008 -1.540 -1.733 1.00 25.00 H new ATOM 0 HB2 GLU A 636 7.882 -3.999 -1.889 1.00 25.00 H new ATOM 0 HB3 GLU A 636 6.272 -3.309 -1.872 1.00 25.00 H new ATOM 0 HG2 GLU A 636 5.993 -4.850 -3.541 1.00 25.00 H new ATOM 0 HG3 GLU A 636 6.495 -3.478 -4.510 1.00 25.00 H new ATOM 847 N GLY A 637 8.959 -2.060 -4.838 1.00 25.00 N ATOM 848 CA GLY A 637 10.117 -2.160 -5.726 1.00 25.00 C ATOM 849 C GLY A 637 10.861 -0.842 -5.899 1.00 25.00 C ATOM 850 O GLY A 637 12.036 -0.835 -6.278 1.00 25.00 O ATOM 0 H GLY A 637 8.069 -1.935 -5.321 1.00 25.00 H new ATOM 0 HA2 GLY A 637 10.805 -2.908 -5.332 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.787 -2.514 -6.703 1.00 25.00 H new ATOM 854 N ASP A 638 10.169 0.273 -5.620 1.00 25.00 N ATOM 855 CA ASP A 638 10.765 1.615 -5.679 1.00 25.00 C ATOM 856 C ASP A 638 11.499 1.940 -4.364 1.00 25.00 C ATOM 857 O ASP A 638 12.343 2.840 -4.320 1.00 25.00 O ATOM 858 CB ASP A 638 9.670 2.659 -5.965 1.00 25.00 C ATOM 859 CG ASP A 638 9.176 2.633 -7.405 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.845 2.002 -8.251 1.00 25.00 O ATOM 861 OD2 ASP A 638 8.121 3.240 -7.682 1.00 25.00 O ATOM 0 H ASP A 638 9.186 0.270 -5.349 1.00 25.00 H new ATOM 0 HA ASP A 638 11.496 1.643 -6.487 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.828 2.485 -5.296 1.00 25.00 H new ATOM 0 HB3 ASP A 638 10.057 3.653 -5.738 1.00 25.00 H new ATOM 866 N MET A 639 11.161 1.187 -3.304 1.00 25.00 N ATOM 867 CA MET A 639 11.753 1.358 -1.969 1.00 25.00 C ATOM 868 C MET A 639 13.222 0.914 -1.908 1.00 25.00 C ATOM 869 O MET A 639 13.981 1.394 -1.063 1.00 25.00 O ATOM 870 CB MET A 639 10.934 0.576 -0.943 1.00 25.00 C ATOM 871 CG MET A 639 9.610 1.230 -0.571 1.00 25.00 C ATOM 872 SD MET A 639 8.816 0.507 0.878 1.00 25.00 S ATOM 873 CE MET A 639 9.384 -1.177 0.727 1.00 25.00 C ATOM 0 H MET A 639 10.467 0.441 -3.350 1.00 25.00 H new ATOM 0 HA MET A 639 11.732 2.424 -1.740 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.736 -0.421 -1.337 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.530 0.449 -0.039 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.779 2.291 -0.388 1.00 25.00 H new ATOM 0 HG3 MET A 639 8.930 1.157 -1.419 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.657 -1.849 1.183 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.499 -1.429 -0.327 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.344 -1.284 1.233 1.00 25.00 H new ATOM 883 N TYR A 640 13.615 -0.003 -2.809 1.00 25.00 N ATOM 884 CA TYR A 640 15.000 -0.499 -2.874 1.00 25.00 C ATOM 885 C TYR A 640 15.944 0.537 -3.502 1.00 25.00 C ATOM 886 O TYR A 640 17.114 0.628 -3.123 1.00 25.00 O ATOM 887 CB TYR A 640 15.074 -1.811 -3.674 1.00 25.00 C ATOM 888 CG TYR A 640 14.482 -3.021 -2.972 1.00 25.00 C ATOM 889 CD1 TYR A 640 13.220 -3.494 -3.304 1.00 25.00 C ATOM 890 CD2 TYR A 640 15.194 -3.697 -1.986 1.00 25.00 C ATOM 891 CE1 TYR A 640 12.684 -4.603 -2.676 1.00 25.00 C ATOM 892 CE2 TYR A 640 14.669 -4.803 -1.353 1.00 25.00 C ATOM 893 CZ TYR A 640 13.410 -5.253 -1.703 1.00 25.00 C ATOM 894 OH TYR A 640 12.874 -6.356 -1.080 1.00 25.00 O ATOM 0 H TYR A 640 12.992 -0.416 -3.503 1.00 25.00 H new ATOM 0 HA TYR A 640 15.322 -0.683 -1.849 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.557 -1.671 -4.623 1.00 25.00 H new ATOM 0 HB3 TYR A 640 16.118 -2.019 -3.907 1.00 25.00 H new ATOM 0 HD1 TYR A 640 12.647 -2.987 -4.066 1.00 25.00 H new ATOM 0 HD2 TYR A 640 16.178 -3.348 -1.711 1.00 25.00 H new ATOM 0 HE1 TYR A 640 11.701 -4.958 -2.947 1.00 25.00 H new ATOM 0 HE2 TYR A 640 15.237 -5.314 -0.590 1.00 25.00 H new ATOM 0 HH TYR A 640 13.306 -7.167 -1.422 1.00 25.00 H new ATOM 904 N GLU A 641 15.417 1.313 -4.460 1.00 25.00 N ATOM 905 CA GLU A 641 16.197 2.344 -5.163 1.00 25.00 C ATOM 906 C GLU A 641 16.156 3.694 -4.431 1.00 25.00 C ATOM 907 O GLU A 641 17.018 4.549 -4.653 1.00 25.00 O ATOM 908 CB GLU A 641 15.683 2.517 -6.599 1.00 25.00 C ATOM 909 CG GLU A 641 15.914 1.310 -7.491 1.00 25.00 C ATOM 910 CD GLU A 641 15.387 1.513 -8.899 1.00 25.00 C ATOM 911 OE1 GLU A 641 14.863 2.611 -9.185 1.00 25.00 O ATOM 912 OE2 GLU A 641 15.501 0.576 -9.717 1.00 25.00 O ATOM 0 H GLU A 641 14.447 1.246 -4.768 1.00 25.00 H new ATOM 0 HA GLU A 641 17.233 2.006 -5.185 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.615 2.733 -6.567 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.170 3.384 -7.046 1.00 25.00 H new ATOM 0 HG2 GLU A 641 16.982 1.095 -7.535 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.431 0.439 -7.049 1.00 25.00 H new ATOM 919 N SER A 642 15.154 3.870 -3.557 1.00 25.00 N ATOM 920 CA SER A 642 14.960 5.131 -2.830 1.00 25.00 C ATOM 921 C SER A 642 15.592 5.085 -1.431 1.00 25.00 C ATOM 922 O SER A 642 16.086 6.104 -0.941 1.00 25.00 O ATOM 923 CB SER A 642 13.461 5.448 -2.723 1.00 25.00 C ATOM 924 OG SER A 642 12.776 4.466 -1.961 1.00 25.00 O ATOM 0 H SER A 642 14.464 3.152 -3.337 1.00 25.00 H new ATOM 0 HA SER A 642 15.460 5.920 -3.392 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.327 6.427 -2.262 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.027 5.503 -3.721 1.00 25.00 H new ATOM 0 HG SER A 642 11.825 4.696 -1.910 1.00 25.00 H new ATOM 930 N ALA A 643 15.571 3.902 -0.799 1.00 25.00 N ATOM 931 CA ALA A 643 16.109 3.728 0.553 1.00 25.00 C ATOM 932 C ALA A 643 17.546 3.205 0.525 1.00 25.00 C ATOM 933 O ALA A 643 17.894 2.363 -0.310 1.00 25.00 O ATOM 934 CB ALA A 643 15.222 2.789 1.358 1.00 25.00 C ATOM 0 H ALA A 643 15.185 3.050 -1.207 1.00 25.00 H new ATOM 0 HA ALA A 643 16.121 4.707 1.033 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.634 2.669 2.360 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.217 3.207 1.426 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.178 1.818 0.865 1.00 25.00 H new ATOM 940 N ASN A 644 18.370 3.717 1.446 1.00 25.00 N ATOM 941 CA ASN A 644 19.776 3.309 1.560 1.00 25.00 C ATOM 942 C ASN A 644 20.047 2.534 2.861 1.00 25.00 C ATOM 943 O ASN A 644 21.135 1.978 3.045 1.00 25.00 O ATOM 944 CB ASN A 644 20.715 4.537 1.442 1.00 25.00 C ATOM 945 CG ASN A 644 20.666 5.271 0.095 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.109 4.735 -0.920 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.146 6.498 0.076 1.00 25.00 N ATOM 0 H ASN A 644 18.085 4.420 2.128 1.00 25.00 H new ATOM 0 HA ASN A 644 19.986 2.632 0.732 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.463 5.244 2.232 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.739 4.210 1.622 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.107 7.022 -0.798 1.00 25.00 H new ATOM 0 HD22 ASN A 644 19.787 6.913 0.936 1.00 25.00 H new ATOM 954 N SER A 645 19.043 2.496 3.751 1.00 25.00 N ATOM 955 CA SER A 645 19.158 1.803 5.039 1.00 25.00 C ATOM 956 C SER A 645 17.930 0.918 5.298 1.00 25.00 C ATOM 957 O SER A 645 16.945 0.978 4.555 1.00 25.00 O ATOM 958 CB SER A 645 19.341 2.822 6.180 1.00 25.00 C ATOM 959 OG SER A 645 18.209 3.666 6.310 1.00 25.00 O ATOM 0 H SER A 645 18.138 2.941 3.598 1.00 25.00 H new ATOM 0 HA SER A 645 20.036 1.158 5.003 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.511 2.293 7.118 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.227 3.427 5.990 1.00 25.00 H new ATOM 0 HG SER A 645 18.356 4.300 7.043 1.00 25.00 H new ATOM 965 N ARG A 646 18.003 0.103 6.361 1.00 25.00 N ATOM 966 CA ARG A 646 16.929 -0.841 6.716 1.00 25.00 C ATOM 967 C ARG A 646 15.737 -0.146 7.388 1.00 25.00 C ATOM 968 O ARG A 646 14.590 -0.561 7.200 1.00 25.00 O ATOM 969 CB ARG A 646 17.477 -1.943 7.641 1.00 25.00 C ATOM 970 CG ARG A 646 16.471 -3.045 7.989 1.00 25.00 C ATOM 971 CD ARG A 646 17.091 -4.148 8.849 1.00 25.00 C ATOM 972 NE ARG A 646 16.126 -5.213 9.170 1.00 25.00 N ATOM 973 CZ ARG A 646 15.231 -5.164 10.169 1.00 25.00 C ATOM 974 NH1 ARG A 646 15.164 -4.111 10.983 1.00 25.00 N ATOM 975 NH2 ARG A 646 14.399 -6.178 10.352 1.00 25.00 N ATOM 0 H ARG A 646 18.801 0.078 6.995 1.00 25.00 H new ATOM 0 HA ARG A 646 16.570 -1.281 5.786 1.00 25.00 H new ATOM 0 HB2 ARG A 646 18.345 -2.399 7.165 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.825 -1.483 8.566 1.00 25.00 H new ATOM 0 HG2 ARG A 646 15.625 -2.607 8.519 1.00 25.00 H new ATOM 0 HG3 ARG A 646 16.081 -3.481 7.069 1.00 25.00 H new ATOM 0 HD2 ARG A 646 17.944 -4.579 8.324 1.00 25.00 H new ATOM 0 HD3 ARG A 646 17.472 -3.714 9.774 1.00 25.00 H new ATOM 0 HE ARG A 646 16.139 -6.051 8.589 1.00 25.00 H new ATOM 0 HH11 ARG A 646 15.800 -3.324 10.852 1.00 25.00 H new ATOM 0 HH12 ARG A 646 14.477 -4.092 11.737 1.00 25.00 H new ATOM 0 HH21 ARG A 646 14.441 -6.990 9.736 1.00 25.00 H new ATOM 0 HH22 ARG A 646 13.716 -6.147 11.109 1.00 25.00 H new ATOM 989 N ASP A 647 16.017 0.909 8.167 1.00 25.00 N ATOM 990 CA ASP A 647 14.974 1.649 8.894 1.00 25.00 C ATOM 991 C ASP A 647 14.255 2.661 7.980 1.00 25.00 C ATOM 992 O ASP A 647 13.142 3.091 8.290 1.00 25.00 O ATOM 993 CB ASP A 647 15.592 2.358 10.111 1.00 25.00 C ATOM 994 CG ASP A 647 16.033 1.400 11.208 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.516 0.263 11.246 1.00 25.00 O ATOM 996 OD2 ASP A 647 16.893 1.788 12.025 1.00 25.00 O ATOM 0 H ASP A 647 16.960 1.270 8.310 1.00 25.00 H new ATOM 0 HA ASP A 647 14.225 0.935 9.238 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.451 2.944 9.784 1.00 25.00 H new ATOM 0 HB3 ASP A 647 14.865 3.059 10.521 1.00 25.00 H new ATOM 1001 N GLU A 648 14.899 3.029 6.862 1.00 25.00 N ATOM 1002 CA GLU A 648 14.294 3.914 5.856 1.00 25.00 C ATOM 1003 C GLU A 648 13.457 3.088 4.871 1.00 25.00 C ATOM 1004 O GLU A 648 12.387 3.519 4.441 1.00 25.00 O ATOM 1005 CB GLU A 648 15.395 4.715 5.125 1.00 25.00 C ATOM 1006 CG GLU A 648 14.888 5.703 4.070 1.00 25.00 C ATOM 1007 CD GLU A 648 16.006 6.501 3.427 1.00 25.00 C ATOM 1008 OE1 GLU A 648 16.998 5.884 2.984 1.00 25.00 O ATOM 1009 OE2 GLU A 648 15.888 7.744 3.365 1.00 25.00 O ATOM 0 H GLU A 648 15.845 2.725 6.631 1.00 25.00 H new ATOM 0 HA GLU A 648 13.632 4.626 6.349 1.00 25.00 H new ATOM 0 HB2 GLU A 648 15.975 5.265 5.866 1.00 25.00 H new ATOM 0 HB3 GLU A 648 16.076 4.012 4.645 1.00 25.00 H new ATOM 0 HG2 GLU A 648 14.347 5.157 3.297 1.00 25.00 H new ATOM 0 HG3 GLU A 648 14.178 6.389 4.532 1.00 25.00 H new ATOM 1016 N TYR A 649 13.955 1.891 4.543 1.00 25.00 N ATOM 1017 CA TYR A 649 13.264 0.947 3.659 1.00 25.00 C ATOM 1018 C TYR A 649 11.870 0.573 4.213 1.00 25.00 C ATOM 1019 O TYR A 649 10.859 0.740 3.525 1.00 25.00 O ATOM 1020 CB TYR A 649 14.181 -0.292 3.464 1.00 25.00 C ATOM 1021 CG TYR A 649 13.556 -1.485 2.761 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.332 -1.445 1.394 1.00 25.00 C ATOM 1023 CD2 TYR A 649 13.196 -2.634 3.454 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.772 -2.508 0.731 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.630 -3.710 2.796 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.420 -3.642 1.431 1.00 25.00 C ATOM 1027 OH TYR A 649 11.858 -4.710 0.771 1.00 25.00 O ATOM 0 H TYR A 649 14.853 1.549 4.885 1.00 25.00 H new ATOM 0 HA TYR A 649 13.078 1.407 2.688 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.059 0.018 2.898 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.531 -0.617 4.444 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.604 -0.559 0.839 1.00 25.00 H new ATOM 0 HD2 TYR A 649 13.360 -2.687 4.520 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.608 -2.456 -0.335 1.00 25.00 H new ATOM 0 HE2 TYR A 649 12.354 -4.598 3.345 1.00 25.00 H new ATOM 0 HH TYR A 649 12.547 -5.172 0.249 1.00 25.00 H new ATOM 1037 N TYR A 650 11.842 0.072 5.455 1.00 25.00 N ATOM 1038 CA TYR A 650 10.601 -0.357 6.112 1.00 25.00 C ATOM 1039 C TYR A 650 9.696 0.815 6.546 1.00 25.00 C ATOM 1040 O TYR A 650 8.502 0.610 6.793 1.00 25.00 O ATOM 1041 CB TYR A 650 10.941 -1.231 7.328 1.00 25.00 C ATOM 1042 CG TYR A 650 11.449 -2.616 6.959 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.794 -2.947 7.109 1.00 25.00 C ATOM 1044 CD2 TYR A 650 10.591 -3.586 6.455 1.00 25.00 C ATOM 1045 CE1 TYR A 650 13.263 -4.196 6.767 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.055 -4.842 6.114 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.392 -5.141 6.272 1.00 25.00 C ATOM 1048 OH TYR A 650 12.857 -6.392 5.936 1.00 25.00 O ATOM 0 H TYR A 650 12.676 -0.047 6.030 1.00 25.00 H new ATOM 0 HA TYR A 650 10.035 -0.926 5.374 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.696 -0.724 7.929 1.00 25.00 H new ATOM 0 HB3 TYR A 650 10.053 -1.333 7.951 1.00 25.00 H new ATOM 0 HD1 TYR A 650 13.481 -2.211 7.500 1.00 25.00 H new ATOM 0 HD2 TYR A 650 9.544 -3.354 6.328 1.00 25.00 H new ATOM 0 HE1 TYR A 650 14.310 -4.433 6.887 1.00 25.00 H new ATOM 0 HE2 TYR A 650 10.374 -5.585 5.726 1.00 25.00 H new ATOM 0 HH TYR A 650 13.418 -6.328 5.135 1.00 25.00 H new ATOM 1058 N HIS A 651 10.255 2.033 6.630 1.00 25.00 N ATOM 1059 CA HIS A 651 9.493 3.212 7.077 1.00 25.00 C ATOM 1060 C HIS A 651 8.716 3.856 5.926 1.00 25.00 C ATOM 1061 O HIS A 651 7.574 4.269 6.115 1.00 25.00 O ATOM 1062 CB HIS A 651 10.421 4.235 7.732 1.00 25.00 C ATOM 1063 CG HIS A 651 9.718 5.446 8.288 1.00 25.00 C ATOM 1064 ND1 HIS A 651 9.828 6.701 7.724 1.00 25.00 N ATOM 1065 CD2 HIS A 651 8.886 5.589 9.351 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.096 7.559 8.413 1.00 25.00 C ATOM 1067 NE2 HIS A 651 8.514 6.908 9.403 1.00 25.00 N ATOM 0 H HIS A 651 11.228 2.228 6.395 1.00 25.00 H new ATOM 0 HA HIS A 651 8.767 2.871 7.815 1.00 25.00 H new ATOM 0 HB2 HIS A 651 10.970 3.747 8.537 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.157 4.562 6.998 1.00 25.00 H new ATOM 0 HD2 HIS A 651 8.575 4.809 10.030 1.00 25.00 H new ATOM 0 HE1 HIS A 651 8.992 8.613 8.202 1.00 25.00 H new ATOM 0 HE2 HIS A 651 7.888 7.320 10.095 1.00 25.00 H new ATOM 1076 N LEU A 652 9.341 3.929 4.739 1.00 25.00 N ATOM 1077 CA LEU A 652 8.705 4.456 3.518 1.00 25.00 C ATOM 1078 C LEU A 652 7.378 3.755 3.194 1.00 25.00 C ATOM 1079 O LEU A 652 6.397 4.408 2.827 1.00 25.00 O ATOM 1080 CB LEU A 652 9.678 4.295 2.355 1.00 25.00 C ATOM 1081 CG LEU A 652 10.825 5.312 2.251 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.802 4.992 1.125 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.231 6.687 2.044 1.00 25.00 C ATOM 0 H LEU A 652 10.304 3.624 4.598 1.00 25.00 H new ATOM 0 HA LEU A 652 8.470 5.507 3.684 1.00 25.00 H new ATOM 0 HB2 LEU A 652 10.115 3.298 2.416 1.00 25.00 H new ATOM 0 HB3 LEU A 652 9.106 4.336 1.428 1.00 25.00 H new ATOM 0 HG LEU A 652 11.397 5.269 3.178 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.590 5.745 1.102 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.244 4.010 1.295 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.272 4.992 0.173 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.032 7.422 1.968 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.643 6.695 1.126 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.589 6.937 2.888 1.00 25.00 H new ATOM 1095 N LEU A 653 7.371 2.423 3.334 1.00 25.00 N ATOM 1096 CA LEU A 653 6.151 1.610 3.181 1.00 25.00 C ATOM 1097 C LEU A 653 5.151 1.869 4.315 1.00 25.00 C ATOM 1098 O LEU A 653 3.938 1.822 4.100 1.00 25.00 O ATOM 1099 CB LEU A 653 6.495 0.114 3.136 1.00 25.00 C ATOM 1100 CG LEU A 653 5.323 -0.842 2.888 1.00 25.00 C ATOM 1101 CD1 LEU A 653 5.494 -1.529 1.551 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.210 -1.884 3.992 1.00 25.00 C ATOM 0 H LEU A 653 8.204 1.878 3.555 1.00 25.00 H new ATOM 0 HA LEU A 653 5.688 1.904 2.239 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.237 -0.044 2.354 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.965 -0.158 4.081 1.00 25.00 H new ATOM 0 HG LEU A 653 4.405 -0.254 2.884 1.00 25.00 H new ATOM 0 HD11 LEU A 653 4.658 -2.207 1.381 1.00 25.00 H new ATOM 0 HD12 LEU A 653 5.522 -0.781 0.759 1.00 25.00 H new ATOM 0 HD13 LEU A 653 6.426 -2.094 1.549 1.00 25.00 H new ATOM 0 HD21 LEU A 653 4.369 -2.545 3.784 1.00 25.00 H new ATOM 0 HD22 LEU A 653 6.129 -2.469 4.036 1.00 25.00 H new ATOM 0 HD23 LEU A 653 5.052 -1.385 4.948 1.00 25.00 H new ATOM 1114 N ALA A 654 5.679 2.147 5.520 1.00 25.00 N ATOM 1115 CA ALA A 654 4.856 2.508 6.682 1.00 25.00 C ATOM 1116 C ALA A 654 4.284 3.924 6.542 1.00 25.00 C ATOM 1117 O ALA A 654 3.241 4.240 7.122 1.00 25.00 O ATOM 1118 CB ALA A 654 5.674 2.399 7.961 1.00 25.00 C ATOM 0 H ALA A 654 6.680 2.127 5.713 1.00 25.00 H new ATOM 0 HA ALA A 654 4.021 1.809 6.730 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.052 2.669 8.815 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.029 1.375 8.080 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.528 3.074 7.906 1.00 25.00 H new ATOM 1124 N GLU A 655 4.988 4.767 5.765 1.00 25.00 N ATOM 1125 CA GLU A 655 4.554 6.151 5.494 1.00 25.00 C ATOM 1126 C GLU A 655 3.286 6.202 4.647 1.00 25.00 C ATOM 1127 O GLU A 655 2.366 6.958 4.966 1.00 25.00 O ATOM 1128 CB GLU A 655 5.661 6.965 4.803 1.00 25.00 C ATOM 1129 CG GLU A 655 5.341 8.441 4.623 1.00 25.00 C ATOM 1130 CD GLU A 655 5.480 9.230 5.910 1.00 25.00 C ATOM 1131 OE1 GLU A 655 6.560 9.163 6.535 1.00 25.00 O ATOM 1132 OE2 GLU A 655 4.508 9.915 6.295 1.00 25.00 O ATOM 0 H GLU A 655 5.865 4.512 5.311 1.00 25.00 H new ATOM 0 HA GLU A 655 4.338 6.595 6.466 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.578 6.874 5.385 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.859 6.527 3.825 1.00 25.00 H new ATOM 0 HG2 GLU A 655 6.005 8.863 3.869 1.00 25.00 H new ATOM 0 HG3 GLU A 655 4.324 8.545 4.246 1.00 25.00 H new ATOM 1139 N LYS A 656 3.232 5.394 3.575 1.00 25.00 N ATOM 1140 CA LYS A 656 2.023 5.297 2.740 1.00 25.00 C ATOM 1141 C LYS A 656 0.897 4.628 3.529 1.00 25.00 C ATOM 1142 O LYS A 656 -0.279 4.874 3.279 1.00 25.00 O ATOM 1143 CB LYS A 656 2.270 4.501 1.445 1.00 25.00 C ATOM 1144 CG LYS A 656 3.327 5.083 0.494 1.00 25.00 C ATOM 1145 CD LYS A 656 2.964 6.482 0.001 1.00 25.00 C ATOM 1146 CE LYS A 656 4.000 7.011 -0.979 1.00 25.00 C ATOM 1147 NZ LYS A 656 3.948 8.495 -1.095 1.00 25.00 N ATOM 0 H LYS A 656 4.005 4.803 3.268 1.00 25.00 H new ATOM 0 HA LYS A 656 1.743 6.313 2.463 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.570 3.488 1.715 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.327 4.421 0.904 1.00 25.00 H new ATOM 0 HG2 LYS A 656 4.289 5.120 1.005 1.00 25.00 H new ATOM 0 HG3 LYS A 656 3.445 4.419 -0.362 1.00 25.00 H new ATOM 0 HD2 LYS A 656 1.986 6.458 -0.479 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.885 7.160 0.851 1.00 25.00 H new ATOM 0 HE2 LYS A 656 4.995 6.707 -0.655 1.00 25.00 H new ATOM 0 HE3 LYS A 656 3.834 6.564 -1.959 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 4.771 8.830 -1.635 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 3.075 8.774 -1.585 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 3.962 8.918 -0.145 1.00 25.00 H new ATOM 1161 N ILE A 657 1.290 3.823 4.528 1.00 25.00 N ATOM 1162 CA ILE A 657 0.341 3.092 5.376 1.00 25.00 C ATOM 1163 C ILE A 657 -0.364 4.066 6.339 1.00 25.00 C ATOM 1164 O ILE A 657 -1.512 3.842 6.727 1.00 25.00 O ATOM 1165 CB ILE A 657 1.076 1.927 6.139 1.00 25.00 C ATOM 1166 CG1 ILE A 657 0.935 0.610 5.324 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.587 1.749 7.589 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.635 -0.616 5.913 1.00 25.00 C ATOM 0 H ILE A 657 2.268 3.662 4.768 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.427 2.634 4.753 1.00 25.00 H new ATOM 0 HB ILE A 657 2.129 2.195 6.220 1.00 25.00 H new ATOM 0 HG12 ILE A 657 -0.126 0.383 5.217 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.327 0.782 4.321 1.00 25.00 H new ATOM 0 HG21 ILE A 657 1.133 0.931 8.059 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.761 2.669 8.147 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.479 1.521 7.588 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.471 -1.476 5.264 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.704 -0.421 5.993 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.229 -0.826 6.903 1.00 25.00 H new ATOM 1180 N TYR A 658 0.336 5.144 6.700 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.207 6.153 7.600 1.00 25.00 C ATOM 1182 C TYR A 658 -1.052 7.184 6.828 1.00 25.00 C ATOM 1183 O TYR A 658 -2.035 7.706 7.357 1.00 25.00 O ATOM 1184 CB TYR A 658 0.937 6.855 8.348 1.00 25.00 C ATOM 1185 CG TYR A 658 1.649 5.984 9.372 1.00 25.00 C ATOM 1186 CD1 TYR A 658 3.027 5.801 9.321 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.941 5.343 10.387 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.677 5.008 10.247 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.587 4.550 11.315 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.953 4.384 11.240 1.00 25.00 C ATOM 1191 OH TYR A 658 3.598 3.594 12.164 1.00 25.00 O ATOM 0 H TYR A 658 1.285 5.337 6.379 1.00 25.00 H new ATOM 0 HA TYR A 658 -0.856 5.658 8.322 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.667 7.209 7.620 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.538 7.735 8.853 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.599 6.287 8.544 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.130 5.468 10.449 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.748 4.878 10.193 1.00 25.00 H new ATOM 0 HE2 TYR A 658 1.024 4.062 12.097 1.00 25.00 H new ATOM 0 HH TYR A 658 2.944 3.229 12.796 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.654 7.453 5.574 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.305 8.476 4.730 1.00 25.00 C ATOM 1203 C LYS A 659 -2.615 7.977 4.115 1.00 25.00 C ATOM 1204 O LYS A 659 -3.541 8.766 3.897 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.361 8.948 3.612 1.00 25.00 C ATOM 1206 CG LYS A 659 0.849 9.754 4.087 1.00 25.00 C ATOM 1207 CD LYS A 659 0.468 11.153 4.585 1.00 25.00 C ATOM 1208 CE LYS A 659 1.683 12.002 4.901 1.00 25.00 C ATOM 1209 NZ LYS A 659 2.466 11.476 6.058 1.00 25.00 N ATOM 0 H LYS A 659 0.121 6.973 5.117 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.539 9.314 5.387 1.00 25.00 H new ATOM 0 HB2 LYS A 659 -0.005 8.075 3.064 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -0.930 9.556 2.908 1.00 25.00 H new ATOM 0 HG2 LYS A 659 1.350 9.211 4.888 1.00 25.00 H new ATOM 0 HG3 LYS A 659 1.563 9.846 3.269 1.00 25.00 H new ATOM 0 HD2 LYS A 659 -0.135 11.654 3.828 1.00 25.00 H new ATOM 0 HD3 LYS A 659 -0.151 11.062 5.477 1.00 25.00 H new ATOM 0 HE2 LYS A 659 2.327 12.049 4.023 1.00 25.00 H new ATOM 0 HE3 LYS A 659 1.363 13.021 5.117 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 2.916 12.267 6.561 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 1.829 10.971 6.707 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 3.198 10.823 5.713 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.685 6.667 3.841 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.908 6.039 3.311 1.00 25.00 C ATOM 1225 C ILE A 660 -4.934 5.855 4.449 1.00 25.00 C ATOM 1226 O ILE A 660 -6.147 5.856 4.220 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.594 4.675 2.611 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.754 4.904 1.335 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.890 3.933 2.265 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.183 3.636 0.712 1.00 25.00 C ATOM 0 H ILE A 660 -1.909 6.019 3.977 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.334 6.697 2.554 1.00 25.00 H new ATOM 0 HB ILE A 660 -3.018 4.061 3.304 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.374 5.409 0.594 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -1.931 5.577 1.574 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.649 2.987 1.779 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.453 3.739 3.178 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.491 4.544 1.591 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.609 3.894 -0.178 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.533 3.138 1.431 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.998 2.967 0.436 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.413 5.700 5.669 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.223 5.666 6.893 1.00 25.00 C ATOM 1244 C GLN A 661 -5.823 7.043 7.228 1.00 25.00 C ATOM 1245 O GLN A 661 -6.795 7.130 7.983 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.368 5.163 8.061 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.129 3.648 8.058 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.194 3.131 9.150 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.579 3.922 9.865 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.081 1.817 9.293 1.00 25.00 N ATOM 0 H GLN A 661 -3.413 5.594 5.838 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.056 4.984 6.724 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.404 5.672 8.037 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -4.852 5.441 8.997 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.091 3.145 8.159 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.720 3.363 7.088 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.606 1.191 8.683 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.469 1.433 10.013 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.234 8.113 6.659 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.730 9.489 6.844 1.00 25.00 C ATOM 1261 C LYS A 662 -6.964 9.771 5.976 1.00 25.00 C ATOM 1262 O LYS A 662 -7.911 10.419 6.431 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.639 10.526 6.517 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.028 12.008 6.706 1.00 25.00 C ATOM 1265 CD LYS A 662 -3.912 13.003 6.361 1.00 25.00 C ATOM 1266 CE LYS A 662 -3.701 13.135 4.869 1.00 25.00 C ATOM 1267 NZ LYS A 662 -4.825 13.839 4.194 1.00 25.00 N ATOM 0 H LYS A 662 -4.408 8.048 6.064 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.010 9.578 7.894 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.770 10.318 7.141 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.329 10.383 5.482 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -5.897 12.225 6.085 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.329 12.163 7.742 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -4.157 13.979 6.779 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -2.983 12.680 6.830 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -2.774 13.677 4.683 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -3.584 12.143 4.433 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -5.274 13.199 3.508 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -5.526 14.133 4.903 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -4.461 14.678 3.698 1.00 25.00 H new ATOM 1281 N GLU A 663 -6.940 9.278 4.726 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.029 9.482 3.766 1.00 25.00 C ATOM 1283 C GLU A 663 -9.259 8.625 4.112 1.00 25.00 C ATOM 1284 O GLU A 663 -10.399 9.088 4.021 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.507 9.201 2.338 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.517 10.224 1.759 1.00 25.00 C ATOM 1287 CD GLU A 663 -7.131 11.600 1.562 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -8.177 11.690 0.885 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -6.568 12.589 2.075 1.00 25.00 O ATOM 0 H GLU A 663 -6.164 8.728 4.357 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.361 10.519 3.818 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.027 8.222 2.336 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.364 9.137 1.667 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.658 10.308 2.425 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -6.144 9.859 0.802 1.00 25.00 H new ATOM 1296 N LEU A 664 -8.993 7.373 4.503 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.032 6.435 4.959 1.00 25.00 C ATOM 1298 C LEU A 664 -10.591 6.812 6.341 1.00 25.00 C ATOM 1299 O LEU A 664 -11.674 6.358 6.721 1.00 25.00 O ATOM 1300 CB LEU A 664 -9.486 5.000 4.997 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.122 4.376 3.639 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -8.400 3.060 3.852 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.363 4.148 2.776 1.00 25.00 C ATOM 0 H LEU A 664 -8.052 6.979 4.513 1.00 25.00 H new ATOM 0 HA LEU A 664 -10.849 6.496 4.240 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -8.598 4.988 5.629 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.228 4.364 5.479 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.469 5.074 3.115 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.145 2.624 2.886 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -7.488 3.234 4.423 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.047 2.375 4.400 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.068 3.706 1.824 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.047 3.474 3.293 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -10.860 5.101 2.595 1.00 25.00 H new ATOM 1315 N GLU A 665 -9.839 7.645 7.085 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.248 8.121 8.419 1.00 25.00 C ATOM 1317 C GLU A 665 -11.505 9.013 8.340 1.00 25.00 C ATOM 1318 O GLU A 665 -12.209 9.194 9.338 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.076 8.875 9.076 1.00 25.00 C ATOM 1320 CG GLU A 665 -8.476 8.186 10.302 1.00 25.00 C ATOM 1321 CD GLU A 665 -9.408 8.207 11.497 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -9.899 9.300 11.849 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -9.647 7.129 12.083 1.00 25.00 O ATOM 0 H GLU A 665 -8.935 8.005 6.780 1.00 25.00 H new ATOM 0 HA GLU A 665 -10.507 7.258 9.033 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.290 9.013 8.334 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -9.419 9.868 9.366 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -8.235 7.153 10.052 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -7.539 8.676 10.568 1.00 25.00 H new ATOM 1330 N GLU A 666 -11.772 9.561 7.142 1.00 25.00 N ATOM 1331 CA GLU A 666 -12.993 10.335 6.874 1.00 25.00 C ATOM 1332 C GLU A 666 -14.221 9.416 6.765 1.00 25.00 C ATOM 1333 O GLU A 666 -15.358 9.864 6.940 1.00 25.00 O ATOM 1334 CB GLU A 666 -12.831 11.150 5.582 1.00 25.00 C ATOM 1335 CG GLU A 666 -11.837 12.307 5.685 1.00 25.00 C ATOM 1336 CD GLU A 666 -11.678 13.082 4.386 1.00 25.00 C ATOM 1337 OE1 GLU A 666 -12.371 12.742 3.404 1.00 25.00 O ATOM 1338 OE2 GLU A 666 -10.863 14.027 4.353 1.00 25.00 O ATOM 0 H GLU A 666 -11.150 9.480 6.337 1.00 25.00 H new ATOM 0 HA GLU A 666 -13.150 11.016 7.711 1.00 25.00 H new ATOM 0 HB2 GLU A 666 -12.510 10.482 4.783 1.00 25.00 H new ATOM 0 HB3 GLU A 666 -13.804 11.548 5.293 1.00 25.00 H new ATOM 0 HG2 GLU A 666 -12.165 12.989 6.469 1.00 25.00 H new ATOM 0 HG3 GLU A 666 -10.866 11.916 5.988 1.00 25.00 H new ATOM 1345 N LYS A 667 -13.967 8.129 6.475 1.00 25.00 N ATOM 1346 CA LYS A 667 -15.017 7.101 6.426 1.00 25.00 C ATOM 1347 C LYS A 667 -15.275 6.512 7.820 1.00 25.00 C ATOM 1348 O LYS A 667 -16.320 5.898 8.058 1.00 25.00 O ATOM 1349 CB LYS A 667 -14.637 5.970 5.463 1.00 25.00 C ATOM 1350 CG LYS A 667 -14.101 6.437 4.108 1.00 25.00 C ATOM 1351 CD LYS A 667 -15.170 7.146 3.270 1.00 25.00 C ATOM 1352 CE LYS A 667 -14.633 8.338 2.477 1.00 25.00 C ATOM 1353 NZ LYS A 667 -15.663 8.966 1.598 1.00 25.00 N ATOM 0 H LYS A 667 -13.033 7.775 6.269 1.00 25.00 H new ATOM 0 HA LYS A 667 -15.926 7.584 6.067 1.00 25.00 H new ATOM 0 HB2 LYS A 667 -13.884 5.343 5.940 1.00 25.00 H new ATOM 0 HB3 LYS A 667 -15.513 5.344 5.296 1.00 25.00 H new ATOM 0 HG2 LYS A 667 -13.260 7.112 4.266 1.00 25.00 H new ATOM 0 HG3 LYS A 667 -13.720 5.578 3.555 1.00 25.00 H new ATOM 0 HD2 LYS A 667 -15.612 6.429 2.578 1.00 25.00 H new ATOM 0 HD3 LYS A 667 -15.969 7.488 3.928 1.00 25.00 H new ATOM 0 HE2 LYS A 667 -14.251 9.086 3.171 1.00 25.00 H new ATOM 0 HE3 LYS A 667 -13.792 8.011 1.865 1.00 25.00 H new ATOM 0 HZ1 LYS A 667 -15.426 8.785 0.602 1.00 25.00 H new ATOM 0 HZ2 LYS A 667 -16.596 8.559 1.811 1.00 25.00 H new ATOM 0 HZ3 LYS A 667 -15.686 9.992 1.768 1.00 25.00 H new ATOM 1367 N ARG A 668 -14.310 6.712 8.730 1.00 25.00 N ATOM 1368 CA ARG A 668 -14.384 6.189 10.100 1.00 25.00 C ATOM 1369 C ARG A 668 -15.219 7.113 11.010 1.00 25.00 C ATOM 1370 O ARG A 668 -15.653 6.701 12.090 1.00 25.00 O ATOM 1371 CB ARG A 668 -12.964 6.034 10.666 1.00 25.00 C ATOM 1372 CG ARG A 668 -12.170 4.893 10.047 1.00 25.00 C ATOM 1373 CD ARG A 668 -10.778 4.779 10.653 1.00 25.00 C ATOM 1374 NE ARG A 668 -10.027 3.626 10.131 1.00 25.00 N ATOM 1375 CZ ARG A 668 -8.756 3.335 10.445 1.00 25.00 C ATOM 1376 NH1 ARG A 668 -8.062 4.094 11.291 1.00 25.00 N ATOM 1377 NH2 ARG A 668 -8.176 2.272 9.906 1.00 25.00 N ATOM 0 H ARG A 668 -13.459 7.240 8.536 1.00 25.00 H new ATOM 0 HA ARG A 668 -14.877 5.217 10.071 1.00 25.00 H new ATOM 0 HB2 ARG A 668 -12.420 6.966 10.513 1.00 25.00 H new ATOM 0 HB3 ARG A 668 -13.029 5.875 11.742 1.00 25.00 H new ATOM 0 HG2 ARG A 668 -12.707 3.956 10.192 1.00 25.00 H new ATOM 0 HG3 ARG A 668 -12.087 5.050 8.972 1.00 25.00 H new ATOM 0 HD2 ARG A 668 -10.221 5.693 10.449 1.00 25.00 H new ATOM 0 HD3 ARG A 668 -10.863 4.692 11.736 1.00 25.00 H new ATOM 0 HE ARG A 668 -10.508 3.003 9.483 1.00 25.00 H new ATOM 0 HH11 ARG A 668 -8.496 4.915 11.714 1.00 25.00 H new ATOM 0 HH12 ARG A 668 -7.096 3.855 11.516 1.00 25.00 H new ATOM 0 HH21 ARG A 668 -8.696 1.681 9.257 1.00 25.00 H new ATOM 0 HH22 ARG A 668 -7.210 2.045 10.140 1.00 25.00 H new ATOM 1391 N ARG A 669 -15.432 8.356 10.558 1.00 25.00 N ATOM 1392 CA ARG A 669 -16.179 9.360 11.325 1.00 25.00 C ATOM 1393 C ARG A 669 -17.673 9.331 10.969 1.00 25.00 C ATOM 1394 O ARG A 669 -18.530 9.432 11.852 1.00 25.00 O ATOM 1395 CB ARG A 669 -15.598 10.754 11.046 1.00 25.00 C ATOM 1396 CG ARG A 669 -14.187 10.968 11.584 1.00 25.00 C ATOM 1397 CD ARG A 669 -13.650 12.335 11.196 1.00 25.00 C ATOM 1398 NE ARG A 669 -12.249 12.530 11.602 1.00 25.00 N ATOM 1399 CZ ARG A 669 -11.451 13.509 11.150 1.00 25.00 C ATOM 1400 NH1 ARG A 669 -11.891 14.411 10.274 1.00 25.00 N ATOM 1401 NH2 ARG A 669 -10.201 13.583 11.584 1.00 25.00 N ATOM 0 H ARG A 669 -15.094 8.692 9.656 1.00 25.00 H new ATOM 0 HA ARG A 669 -16.082 9.128 12.386 1.00 25.00 H new ATOM 0 HB2 ARG A 669 -15.593 10.923 9.969 1.00 25.00 H new ATOM 0 HB3 ARG A 669 -16.258 11.503 11.483 1.00 25.00 H new ATOM 0 HG2 ARG A 669 -14.191 10.871 12.670 1.00 25.00 H new ATOM 0 HG3 ARG A 669 -13.526 10.192 11.197 1.00 25.00 H new ATOM 0 HD2 ARG A 669 -13.732 12.460 10.116 1.00 25.00 H new ATOM 0 HD3 ARG A 669 -14.268 13.107 11.654 1.00 25.00 H new ATOM 0 HE ARG A 669 -11.856 11.873 12.276 1.00 25.00 H new ATOM 0 HH11 ARG A 669 -12.852 14.365 9.934 1.00 25.00 H new ATOM 0 HH12 ARG A 669 -11.267 15.147 9.943 1.00 25.00 H new ATOM 0 HH21 ARG A 669 -9.853 12.899 12.256 1.00 25.00 H new ATOM 0 HH22 ARG A 669 -9.587 14.324 11.246 1.00 25.00 H new ATOM 1415 N SER A 670 -17.962 9.190 9.670 1.00 25.00 N ATOM 1416 CA SER A 670 -19.340 9.214 9.155 1.00 25.00 C ATOM 1417 C SER A 670 -20.066 7.870 9.331 1.00 25.00 C ATOM 1418 O SER A 670 -21.300 7.833 9.364 1.00 25.00 O ATOM 1419 CB SER A 670 -19.340 9.623 7.679 1.00 25.00 C ATOM 1420 OG SER A 670 -18.714 8.643 6.867 1.00 25.00 O ATOM 0 H SER A 670 -17.253 9.057 8.948 1.00 25.00 H new ATOM 0 HA SER A 670 -19.888 9.949 9.744 1.00 25.00 H new ATOM 0 HB2 SER A 670 -20.366 9.774 7.343 1.00 25.00 H new ATOM 0 HB3 SER A 670 -18.823 10.576 7.565 1.00 25.00 H new ATOM 0 HG SER A 670 -18.732 8.933 5.931 1.00 25.00 H new ATOM 1426 N ARG A 671 -19.298 6.777 9.449 1.00 25.00 N ATOM 1427 CA ARG A 671 -19.871 5.434 9.604 1.00 25.00 C ATOM 1428 C ARG A 671 -20.004 5.045 11.088 1.00 25.00 C ATOM 1429 O ARG A 671 -20.640 4.040 11.423 1.00 25.00 O ATOM 1430 CB ARG A 671 -19.028 4.415 8.835 1.00 25.00 C ATOM 1431 CG ARG A 671 -19.003 4.650 7.335 1.00 25.00 C ATOM 1432 CD ARG A 671 -18.209 3.574 6.646 1.00 25.00 C ATOM 1433 NE ARG A 671 -18.869 2.266 6.704 1.00 25.00 N ATOM 1434 CZ ARG A 671 -18.230 1.087 6.752 1.00 25.00 C ATOM 1435 NH1 ARG A 671 -16.900 1.021 6.743 1.00 25.00 N ATOM 1436 NH2 ARG A 671 -18.933 -0.036 6.806 1.00 25.00 N ATOM 0 H ARG A 671 -18.278 6.798 9.440 1.00 25.00 H new ATOM 0 HA ARG A 671 -20.877 5.439 9.186 1.00 25.00 H new ATOM 0 HB2 ARG A 671 -18.007 4.441 9.215 1.00 25.00 H new ATOM 0 HB3 ARG A 671 -19.415 3.415 9.031 1.00 25.00 H new ATOM 0 HG2 ARG A 671 -20.021 4.664 6.946 1.00 25.00 H new ATOM 0 HG3 ARG A 671 -18.567 5.626 7.121 1.00 25.00 H new ATOM 0 HD2 ARG A 671 -18.053 3.853 5.604 1.00 25.00 H new ATOM 0 HD3 ARG A 671 -17.224 3.501 7.108 1.00 25.00 H new ATOM 0 HE ARG A 671 -19.889 2.251 6.708 1.00 25.00 H new ATOM 0 HH11 ARG A 671 -16.347 1.877 6.699 1.00 25.00 H new ATOM 0 HH12 ARG A 671 -16.434 0.114 6.780 1.00 25.00 H new ATOM 0 HH21 ARG A 671 -19.952 0.000 6.811 1.00 25.00 H new ATOM 0 HH22 ARG A 671 -18.454 -0.936 6.843 1.00 25.00 H new ATOM 1450 N LEU A 672 -19.407 5.860 11.959 1.00 25.00 N ATOM 1451 CA LEU A 672 -19.462 5.646 13.408 1.00 25.00 C ATOM 1452 C LEU A 672 -20.162 6.817 14.103 1.00 25.00 C ATOM 1453 O LEU A 672 -21.347 6.663 14.464 1.00 25.00 O ATOM 1454 CB LEU A 672 -18.049 5.434 13.995 1.00 25.00 C ATOM 1455 CG LEU A 672 -17.277 4.198 13.493 1.00 25.00 C ATOM 1456 CD1 LEU A 672 -15.910 4.073 14.159 1.00 25.00 C ATOM 1457 CD2 LEU A 672 -18.095 2.936 13.726 1.00 25.00 C ATOM 1458 OXT LEU A 672 -19.528 7.885 14.266 1.00 25.00 O ATOM 0 H LEU A 672 -18.873 6.684 11.683 1.00 25.00 H new ATOM 0 HA LEU A 672 -20.041 4.741 13.589 1.00 25.00 H new ATOM 0 HB2 LEU A 672 -17.453 6.320 13.779 1.00 25.00 H new ATOM 0 HB3 LEU A 672 -18.136 5.365 15.079 1.00 25.00 H new ATOM 0 HG LEU A 672 -17.111 4.326 12.423 1.00 25.00 H new ATOM 0 HD11 LEU A 672 -15.399 3.189 13.777 1.00 25.00 H new ATOM 0 HD12 LEU A 672 -15.315 4.960 13.939 1.00 25.00 H new ATOM 0 HD13 LEU A 672 -16.038 3.981 15.238 1.00 25.00 H new ATOM 0 HD21 LEU A 672 -17.538 2.070 13.367 1.00 25.00 H new ATOM 0 HD22 LEU A 672 -18.294 2.823 14.792 1.00 25.00 H new ATOM 0 HD23 LEU A 672 -19.039 3.010 13.186 1.00 25.00 H new TER 1470 LEU A 672 ATOM 1471 N GLY B 519 11.596 14.330 15.169 1.00 25.00 N ATOM 1472 CA GLY B 519 11.511 15.803 15.371 1.00 25.00 C ATOM 1473 C GLY B 519 12.519 16.562 14.530 1.00 25.00 C ATOM 1474 O GLY B 519 13.634 16.833 14.985 1.00 25.00 O ATOM 0 HA2 GLY B 519 10.506 16.143 15.123 1.00 25.00 H new ATOM 0 HA3 GLY B 519 11.675 16.032 16.424 1.00 25.00 H new ATOM 1480 N SER B 520 12.119 16.902 13.300 1.00 25.00 N ATOM 1481 CA SER B 520 12.981 17.639 12.374 1.00 25.00 C ATOM 1482 C SER B 520 12.392 19.028 12.057 1.00 25.00 C ATOM 1483 O SER B 520 11.216 19.122 11.690 1.00 25.00 O ATOM 1484 CB SER B 520 13.180 16.838 11.079 1.00 25.00 C ATOM 1485 OG SER B 520 13.849 17.605 10.091 1.00 25.00 O ATOM 0 H SER B 520 11.199 16.676 12.923 1.00 25.00 H new ATOM 0 HA SER B 520 13.949 17.782 12.853 1.00 25.00 H new ATOM 0 HB2 SER B 520 13.755 15.937 11.292 1.00 25.00 H new ATOM 0 HB3 SER B 520 12.211 16.516 10.697 1.00 25.00 H new ATOM 0 HG SER B 520 13.962 17.067 9.280 1.00 25.00 H new ATOM 1491 N PRO B 521 13.192 20.138 12.195 1.00 25.00 N ATOM 1492 CA PRO B 521 12.706 21.506 11.909 1.00 25.00 C ATOM 1493 C PRO B 521 12.546 21.794 10.406 1.00 25.00 C ATOM 1494 O PRO B 521 13.397 21.407 9.598 1.00 25.00 O ATOM 1495 CB PRO B 521 13.793 22.395 12.527 1.00 25.00 C ATOM 1496 CG PRO B 521 15.016 21.556 12.527 1.00 25.00 C ATOM 1497 CD PRO B 521 14.609 20.157 12.665 1.00 25.00 C ATOM 0 HA PRO B 521 11.709 21.675 12.316 1.00 25.00 H new ATOM 0 HB2 PRO B 521 13.938 23.305 11.945 1.00 25.00 H new ATOM 0 HB3 PRO B 521 13.525 22.703 13.538 1.00 25.00 H new ATOM 0 HG2 PRO B 521 15.576 21.700 11.603 1.00 25.00 H new ATOM 0 HG3 PRO B 521 15.674 21.843 13.347 1.00 25.00 H new ATOM 0 HD2 PRO B 521 15.236 19.499 12.064 1.00 25.00 H new ATOM 0 HD3 PRO B 521 14.690 19.819 13.698 1.00 25.00 H new ATOM 1505 N GLY B 522 11.449 22.474 10.055 1.00 25.00 N ATOM 1506 CA GLY B 522 11.176 22.810 8.664 1.00 25.00 C ATOM 1507 C GLY B 522 9.936 22.117 8.128 1.00 25.00 C ATOM 1508 O GLY B 522 9.736 20.922 8.366 1.00 25.00 O ATOM 0 H GLY B 522 10.742 22.799 10.715 1.00 25.00 H new ATOM 0 HA2 GLY B 522 11.053 23.889 8.572 1.00 25.00 H new ATOM 0 HA3 GLY B 522 12.035 22.534 8.052 1.00 25.00 H new ATOM 1512 N TYR B 523 9.109 22.875 7.400 1.00 25.00 N ATOM 1513 CA TYR B 523 7.873 22.348 6.818 1.00 25.00 C ATOM 1514 C TYR B 523 7.983 22.306 5.274 1.00 25.00 C ATOM 1515 O TYR B 523 7.821 23.342 4.619 1.00 25.00 O ATOM 1516 CB TYR B 523 6.673 23.209 7.269 1.00 25.00 C ATOM 1517 CG TYR B 523 6.448 23.255 8.772 1.00 25.00 C ATOM 1518 CD1 TYR B 523 6.946 24.303 9.540 1.00 25.00 C ATOM 1519 CD2 TYR B 523 5.742 22.247 9.421 1.00 25.00 C ATOM 1520 CE1 TYR B 523 6.745 24.344 10.907 1.00 25.00 C ATOM 1521 CE2 TYR B 523 5.537 22.283 10.787 1.00 25.00 C ATOM 1522 CZ TYR B 523 6.040 23.332 11.525 1.00 25.00 C ATOM 1523 OH TYR B 523 5.839 23.371 12.884 1.00 25.00 O ATOM 0 H TYR B 523 9.276 23.861 7.200 1.00 25.00 H new ATOM 0 HA TYR B 523 7.715 21.329 7.170 1.00 25.00 H new ATOM 0 HB2 TYR B 523 6.818 24.227 6.907 1.00 25.00 H new ATOM 0 HB3 TYR B 523 5.770 22.826 6.793 1.00 25.00 H new ATOM 0 HD1 TYR B 523 7.499 25.097 9.060 1.00 25.00 H new ATOM 0 HD2 TYR B 523 5.347 21.422 8.847 1.00 25.00 H new ATOM 0 HE1 TYR B 523 7.138 25.165 11.489 1.00 25.00 H new ATOM 0 HE2 TYR B 523 4.985 21.493 11.274 1.00 25.00 H new ATOM 0 HH TYR B 523 5.324 22.585 13.161 1.00 25.00 H new ATOM 1533 N PRO B 524 8.278 21.110 4.659 1.00 25.00 N ATOM 1534 CA PRO B 524 8.370 20.968 3.185 1.00 25.00 C ATOM 1535 C PRO B 524 7.029 21.187 2.474 1.00 25.00 C ATOM 1536 O PRO B 524 5.976 20.779 2.975 1.00 25.00 O ATOM 1537 CB PRO B 524 8.840 19.517 2.979 1.00 25.00 C ATOM 1538 CG PRO B 524 9.488 19.132 4.270 1.00 25.00 C ATOM 1539 CD PRO B 524 8.577 19.817 5.327 1.00 25.00 C ATOM 0 HA PRO B 524 9.041 21.717 2.764 1.00 25.00 H new ATOM 0 HB2 PRO B 524 8.002 18.860 2.747 1.00 25.00 H new ATOM 0 HB3 PRO B 524 9.542 19.444 2.148 1.00 25.00 H new ATOM 0 HG2 PRO B 524 9.518 18.050 4.401 1.00 25.00 H new ATOM 0 HG3 PRO B 524 10.516 19.489 4.329 1.00 25.00 H new ATOM 0 HD2 PRO B 524 7.675 19.240 5.528 1.00 25.00 H new ATOM 0 HD3 PRO B 524 9.086 19.955 6.281 1.00 25.00 H new ATOM 1547 N ASN B 525 7.086 21.841 1.307 1.00 25.00 N ATOM 1548 CA ASN B 525 5.889 22.126 0.508 1.00 25.00 C ATOM 1549 C ASN B 525 6.066 21.653 -0.940 1.00 25.00 C ATOM 1550 O ASN B 525 7.124 21.858 -1.543 1.00 25.00 O ATOM 1551 CB ASN B 525 5.540 23.631 0.555 1.00 25.00 C ATOM 1552 CG ASN B 525 5.239 24.154 1.956 1.00 25.00 C ATOM 1553 OD1 ASN B 525 4.151 23.943 2.491 1.00 25.00 O ATOM 1554 ND2 ASN B 525 6.209 24.838 2.554 1.00 25.00 N ATOM 0 H ASN B 525 7.953 22.184 0.894 1.00 25.00 H new ATOM 0 HA ASN B 525 5.058 21.571 0.943 1.00 25.00 H new ATOM 0 HB2 ASN B 525 6.371 24.199 0.137 1.00 25.00 H new ATOM 0 HB3 ASN B 525 4.676 23.813 -0.083 1.00 25.00 H new ATOM 0 HD21 ASN B 525 6.066 25.211 3.493 1.00 25.00 H new ATOM 0 HD22 ASN B 525 7.096 24.990 2.074 1.00 25.00 H new ATOM 1561 N GLY B 526 5.019 21.020 -1.477 1.00 25.00 N ATOM 1562 CA GLY B 526 5.050 20.530 -2.850 1.00 25.00 C ATOM 1563 C GLY B 526 4.634 19.073 -2.972 1.00 25.00 C ATOM 1564 O GLY B 526 5.144 18.353 -3.835 1.00 25.00 O ATOM 0 H GLY B 526 4.146 20.838 -0.982 1.00 25.00 H new ATOM 0 HA2 GLY B 526 4.390 21.143 -3.463 1.00 25.00 H new ATOM 0 HA3 GLY B 526 6.057 20.649 -3.249 1.00 25.00 H new ATOM 1568 N LEU B 527 3.707 18.643 -2.104 1.00 25.00 N ATOM 1569 CA LEU B 527 3.198 17.269 -2.116 1.00 25.00 C ATOM 1570 C LEU B 527 1.668 17.246 -2.248 1.00 25.00 C ATOM 1571 O LEU B 527 1.019 16.243 -1.920 1.00 25.00 O ATOM 1572 CB LEU B 527 3.653 16.516 -0.841 1.00 25.00 C ATOM 1573 CG LEU B 527 5.173 16.295 -0.616 1.00 25.00 C ATOM 1574 CD1 LEU B 527 5.408 15.690 0.754 1.00 25.00 C ATOM 1575 CD2 LEU B 527 5.810 15.426 -1.700 1.00 25.00 C ATOM 0 H LEU B 527 3.294 19.233 -1.382 1.00 25.00 H new ATOM 0 HA LEU B 527 3.612 16.759 -2.986 1.00 25.00 H new ATOM 0 HB2 LEU B 527 3.265 17.059 0.021 1.00 25.00 H new ATOM 0 HB3 LEU B 527 3.172 15.538 -0.844 1.00 25.00 H new ATOM 0 HG LEU B 527 5.655 17.271 -0.675 1.00 25.00 H new ATOM 0 HD11 LEU B 527 6.477 15.537 0.906 1.00 25.00 H new ATOM 0 HD12 LEU B 527 5.025 16.364 1.520 1.00 25.00 H new ATOM 0 HD13 LEU B 527 4.891 14.733 0.822 1.00 25.00 H new ATOM 0 HD21 LEU B 527 6.873 15.305 -1.491 1.00 25.00 H new ATOM 0 HD22 LEU B 527 5.329 14.448 -1.712 1.00 25.00 H new ATOM 0 HD23 LEU B 527 5.683 15.904 -2.671 1.00 25.00 H new ATOM 1587 N LEU B 528 1.100 18.351 -2.750 1.00 25.00 N ATOM 1588 CA LEU B 528 -0.356 18.509 -2.850 1.00 25.00 C ATOM 1589 C LEU B 528 -0.951 17.558 -3.913 1.00 25.00 C ATOM 1590 O LEU B 528 -2.168 17.511 -4.115 1.00 25.00 O ATOM 1591 CB LEU B 528 -0.692 19.978 -3.182 1.00 25.00 C ATOM 1592 CG LEU B 528 -0.237 21.039 -2.158 1.00 25.00 C ATOM 1593 CD1 LEU B 528 -0.583 22.432 -2.662 1.00 25.00 C ATOM 1594 CD2 LEU B 528 -0.881 20.817 -0.791 1.00 25.00 C ATOM 0 H LEU B 528 1.630 19.151 -3.094 1.00 25.00 H new ATOM 0 HA LEU B 528 -0.803 18.246 -1.891 1.00 25.00 H new ATOM 0 HB2 LEU B 528 -0.244 20.221 -4.146 1.00 25.00 H new ATOM 0 HB3 LEU B 528 -1.772 20.062 -3.302 1.00 25.00 H new ATOM 0 HG LEU B 528 0.843 20.944 -2.044 1.00 25.00 H new ATOM 0 HD11 LEU B 528 -0.258 23.174 -1.933 1.00 25.00 H new ATOM 0 HD12 LEU B 528 -0.078 22.611 -3.611 1.00 25.00 H new ATOM 0 HD13 LEU B 528 -1.661 22.510 -2.804 1.00 25.00 H new ATOM 0 HD21 LEU B 528 -0.536 21.584 -0.097 1.00 25.00 H new ATOM 0 HD22 LEU B 528 -1.965 20.875 -0.886 1.00 25.00 H new ATOM 0 HD23 LEU B 528 -0.602 19.834 -0.413 1.00 25.00 H new ATOM 1606 N SER B 529 -0.067 16.789 -4.564 1.00 25.00 N ATOM 1607 CA SER B 529 -0.452 15.836 -5.611 1.00 25.00 C ATOM 1608 C SER B 529 0.546 14.672 -5.647 1.00 25.00 C ATOM 1609 O SER B 529 1.549 14.711 -6.372 1.00 25.00 O ATOM 1610 CB SER B 529 -0.530 16.536 -6.982 1.00 25.00 C ATOM 1611 OG SER B 529 -0.888 15.625 -8.009 1.00 25.00 O ATOM 0 H SER B 529 0.936 16.811 -4.378 1.00 25.00 H new ATOM 0 HA SER B 529 -1.442 15.440 -5.382 1.00 25.00 H new ATOM 0 HB2 SER B 529 -1.261 17.343 -6.939 1.00 25.00 H new ATOM 0 HB3 SER B 529 0.433 16.990 -7.216 1.00 25.00 H new ATOM 0 HG SER B 529 -0.931 16.098 -8.866 1.00 25.00 H new ATOM 1617 N GLY B 530 0.266 13.646 -4.839 1.00 25.00 N ATOM 1618 CA GLY B 530 1.151 12.493 -4.742 1.00 25.00 C ATOM 1619 C GLY B 530 0.483 11.288 -4.103 1.00 25.00 C ATOM 1620 O GLY B 530 0.654 10.158 -4.572 1.00 25.00 O ATOM 0 H GLY B 530 -0.563 13.594 -4.247 1.00 25.00 H new ATOM 0 HA2 GLY B 530 1.499 12.223 -5.739 1.00 25.00 H new ATOM 0 HA3 GLY B 530 2.032 12.765 -4.160 1.00 25.00 H new ATOM 1624 N ASP B 531 -0.278 11.534 -3.030 1.00 25.00 N ATOM 1625 CA ASP B 531 -0.991 10.478 -2.308 1.00 25.00 C ATOM 1626 C ASP B 531 -2.510 10.700 -2.372 1.00 25.00 C ATOM 1627 O ASP B 531 -3.291 9.930 -1.804 1.00 25.00 O ATOM 1628 CB ASP B 531 -0.493 10.415 -0.849 1.00 25.00 C ATOM 1629 CG ASP B 531 0.945 9.927 -0.707 1.00 25.00 C ATOM 1630 OD1 ASP B 531 1.449 9.282 -1.652 1.00 25.00 O ATOM 1631 OD2 ASP B 531 1.561 10.186 0.348 1.00 25.00 O ATOM 0 H ASP B 531 -0.415 12.467 -2.641 1.00 25.00 H new ATOM 0 HA ASP B 531 -0.783 9.520 -2.785 1.00 25.00 H new ATOM 0 HB2 ASP B 531 -0.575 11.407 -0.404 1.00 25.00 H new ATOM 0 HB3 ASP B 531 -1.148 9.755 -0.280 1.00 25.00 H new ATOM 1636 N GLU B 532 -2.902 11.759 -3.087 1.00 25.00 N ATOM 1637 CA GLU B 532 -4.292 12.176 -3.207 1.00 25.00 C ATOM 1638 C GLU B 532 -4.956 11.632 -4.472 1.00 25.00 C ATOM 1639 O GLU B 532 -6.160 11.812 -4.686 1.00 25.00 O ATOM 1640 CB GLU B 532 -4.346 13.698 -3.189 1.00 25.00 C ATOM 1641 CG GLU B 532 -3.872 14.321 -1.890 1.00 25.00 C ATOM 1642 CD GLU B 532 -4.393 15.733 -1.694 1.00 25.00 C ATOM 1643 OE1 GLU B 532 -5.000 16.278 -2.640 1.00 25.00 O ATOM 1644 OE2 GLU B 532 -4.193 16.292 -0.595 1.00 25.00 O ATOM 0 H GLU B 532 -2.252 12.353 -3.602 1.00 25.00 H new ATOM 0 HA GLU B 532 -4.849 11.766 -2.365 1.00 25.00 H new ATOM 0 HB2 GLU B 532 -3.736 14.082 -4.007 1.00 25.00 H new ATOM 0 HB3 GLU B 532 -5.371 14.016 -3.379 1.00 25.00 H new ATOM 0 HG2 GLU B 532 -4.195 13.700 -1.055 1.00 25.00 H new ATOM 0 HG3 GLU B 532 -2.782 14.335 -1.875 1.00 25.00 H new ATOM 1651 N ASP B 533 -4.155 10.960 -5.289 1.00 25.00 N ATOM 1652 CA ASP B 533 -4.601 10.418 -6.578 1.00 25.00 C ATOM 1653 C ASP B 533 -5.256 9.037 -6.407 1.00 25.00 C ATOM 1654 O ASP B 533 -6.212 8.712 -7.119 1.00 25.00 O ATOM 1655 CB ASP B 533 -3.410 10.338 -7.549 1.00 25.00 C ATOM 1656 CG ASP B 533 -2.949 11.700 -8.047 1.00 25.00 C ATOM 1657 OD1 ASP B 533 -3.731 12.667 -7.939 1.00 25.00 O ATOM 1658 OD2 ASP B 533 -1.807 11.795 -8.544 1.00 25.00 O ATOM 0 H ASP B 533 -3.174 10.772 -5.081 1.00 25.00 H new ATOM 0 HA ASP B 533 -5.354 11.089 -6.992 1.00 25.00 H new ATOM 0 HB2 ASP B 533 -2.578 9.839 -7.052 1.00 25.00 H new ATOM 0 HB3 ASP B 533 -3.687 9.721 -8.404 1.00 25.00 H new ATOM 1663 N PHE B 534 -4.736 8.233 -5.466 1.00 25.00 N ATOM 1664 CA PHE B 534 -5.287 6.919 -5.168 1.00 25.00 C ATOM 1665 C PHE B 534 -6.383 7.016 -4.087 1.00 25.00 C ATOM 1666 O PHE B 534 -7.132 6.061 -3.864 1.00 25.00 O ATOM 1667 CB PHE B 534 -4.134 5.970 -4.774 1.00 25.00 C ATOM 1668 CG PHE B 534 -3.142 5.685 -5.867 1.00 25.00 C ATOM 1669 CD1 PHE B 534 -1.880 5.265 -5.527 1.00 25.00 C ATOM 1670 CD2 PHE B 534 -3.468 5.822 -7.207 1.00 25.00 C ATOM 1671 CE1 PHE B 534 -0.940 4.980 -6.497 1.00 25.00 C ATOM 1672 CE2 PHE B 534 -2.541 5.540 -8.186 1.00 25.00 C ATOM 1673 CZ PHE B 534 -1.272 5.117 -7.832 1.00 25.00 C ATOM 0 H PHE B 534 -3.926 8.482 -4.898 1.00 25.00 H new ATOM 0 HA PHE B 534 -5.774 6.506 -6.051 1.00 25.00 H new ATOM 0 HB2 PHE B 534 -3.603 6.401 -3.926 1.00 25.00 H new ATOM 0 HB3 PHE B 534 -4.561 5.026 -4.436 1.00 25.00 H new ATOM 0 HD1 PHE B 534 -1.619 5.156 -4.485 1.00 25.00 H new ATOM 0 HD2 PHE B 534 -4.458 6.153 -7.486 1.00 25.00 H new ATOM 0 HE1 PHE B 534 0.049 4.652 -6.214 1.00 25.00 H new ATOM 0 HE2 PHE B 534 -2.804 5.649 -9.228 1.00 25.00 H new ATOM 0 HZ PHE B 534 -0.543 4.894 -8.597 1.00 25.00 H new ATOM 1683 N SER B 535 -6.475 8.187 -3.441 1.00 25.00 N ATOM 1684 CA SER B 535 -7.483 8.451 -2.400 1.00 25.00 C ATOM 1685 C SER B 535 -8.910 8.470 -2.970 1.00 25.00 C ATOM 1686 O SER B 535 -9.882 8.271 -2.233 1.00 25.00 O ATOM 1687 CB SER B 535 -7.184 9.783 -1.702 1.00 25.00 C ATOM 1688 OG SER B 535 -7.391 10.878 -2.577 1.00 25.00 O ATOM 0 H SER B 535 -5.856 8.977 -3.623 1.00 25.00 H new ATOM 0 HA SER B 535 -7.426 7.637 -1.678 1.00 25.00 H new ATOM 0 HB2 SER B 535 -7.823 9.889 -0.825 1.00 25.00 H new ATOM 0 HB3 SER B 535 -6.153 9.787 -1.347 1.00 25.00 H new ATOM 0 HG SER B 535 -6.982 10.684 -3.446 1.00 25.00 H new ATOM 1694 N SER B 536 -9.017 8.705 -4.286 1.00 25.00 N ATOM 1695 CA SER B 536 -10.302 8.686 -4.991 1.00 25.00 C ATOM 1696 C SER B 536 -10.638 7.279 -5.503 1.00 25.00 C ATOM 1697 O SER B 536 -11.809 6.957 -5.717 1.00 25.00 O ATOM 1698 CB SER B 536 -10.277 9.683 -6.146 1.00 25.00 C ATOM 1699 OG SER B 536 -9.276 9.353 -7.100 1.00 25.00 O ATOM 0 H SER B 536 -8.219 8.912 -4.886 1.00 25.00 H new ATOM 0 HA SER B 536 -11.081 8.976 -4.286 1.00 25.00 H new ATOM 0 HB2 SER B 536 -11.252 9.702 -6.633 1.00 25.00 H new ATOM 0 HB3 SER B 536 -10.095 10.685 -5.758 1.00 25.00 H new ATOM 0 HG SER B 536 -9.288 10.010 -7.827 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.599 6.450 -5.692 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.769 5.071 -6.166 1.00 25.00 C ATOM 1707 C ILE B 537 -10.026 4.110 -4.993 1.00 25.00 C ATOM 1708 O ILE B 537 -10.729 3.110 -5.156 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.527 4.593 -7.009 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.229 5.555 -8.199 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.686 3.145 -7.513 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.936 5.290 -8.976 1.00 25.00 C ATOM 0 H ILE B 537 -8.629 6.714 -5.522 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.642 5.058 -6.818 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.673 4.616 -6.332 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -9.065 5.505 -8.897 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.195 6.575 -7.815 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.805 2.861 -8.089 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.795 2.473 -6.662 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.571 3.075 -8.146 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.837 6.021 -9.778 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -6.083 5.373 -8.302 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.966 4.287 -9.401 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.462 4.426 -3.819 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.590 3.560 -2.642 1.00 25.00 C ATOM 1726 C ALA B 538 -10.909 3.763 -1.897 1.00 25.00 C ATOM 1727 O ALA B 538 -11.270 2.972 -1.020 1.00 25.00 O ATOM 1728 CB ALA B 538 -8.408 3.757 -1.706 1.00 25.00 C ATOM 0 H ALA B 538 -8.915 5.272 -3.661 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.592 2.532 -3.004 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -8.519 3.107 -0.838 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.484 3.509 -2.229 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -8.372 4.796 -1.379 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.611 4.825 -2.263 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.938 5.123 -1.718 1.00 25.00 C ATOM 1736 C ASP B 539 -14.024 4.649 -2.700 1.00 25.00 C ATOM 1737 O ASP B 539 -15.202 4.553 -2.346 1.00 25.00 O ATOM 1738 CB ASP B 539 -13.058 6.631 -1.417 1.00 25.00 C ATOM 1739 CG ASP B 539 -14.372 7.020 -0.753 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -14.866 6.241 0.088 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -14.903 8.104 -1.078 1.00 25.00 O ATOM 0 H ASP B 539 -11.282 5.508 -2.946 1.00 25.00 H new ATOM 0 HA ASP B 539 -13.079 4.586 -0.780 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -12.232 6.930 -0.771 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -12.953 7.188 -2.348 1.00 25.00 H new ATOM 1746 N MET B 540 -13.591 4.352 -3.930 1.00 25.00 N ATOM 1747 CA MET B 540 -14.442 3.745 -4.955 1.00 25.00 C ATOM 1748 C MET B 540 -14.333 2.218 -4.921 1.00 25.00 C ATOM 1749 O MET B 540 -15.272 1.509 -5.294 1.00 25.00 O ATOM 1750 CB MET B 540 -14.032 4.252 -6.339 1.00 25.00 C ATOM 1751 CG MET B 540 -14.425 5.701 -6.614 1.00 25.00 C ATOM 1752 SD MET B 540 -13.844 6.314 -8.216 1.00 25.00 S ATOM 1753 CE MET B 540 -14.834 5.364 -9.372 1.00 25.00 C ATOM 0 H MET B 540 -12.636 4.527 -4.242 1.00 25.00 H new ATOM 0 HA MET B 540 -15.475 4.027 -4.750 1.00 25.00 H new ATOM 0 HB2 MET B 540 -12.952 4.154 -6.445 1.00 25.00 H new ATOM 0 HB3 MET B 540 -14.486 3.614 -7.097 1.00 25.00 H new ATOM 0 HG2 MET B 540 -15.511 5.789 -6.572 1.00 25.00 H new ATOM 0 HG3 MET B 540 -14.023 6.335 -5.824 1.00 25.00 H new ATOM 0 HE1 MET B 540 -14.665 5.732 -10.384 1.00 25.00 H new ATOM 0 HE2 MET B 540 -14.550 4.313 -9.316 1.00 25.00 H new ATOM 0 HE3 MET B 540 -15.889 5.469 -9.119 1.00 25.00 H new ATOM 1763 N ASP B 541 -13.172 1.733 -4.466 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.876 0.302 -4.412 1.00 25.00 C ATOM 1765 C ASP B 541 -13.246 -0.306 -3.047 1.00 25.00 C ATOM 1766 O ASP B 541 -13.412 -1.525 -2.940 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.392 0.073 -4.720 1.00 25.00 C ATOM 1768 CG ASP B 541 -11.054 0.233 -6.193 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.990 0.233 -7.020 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.855 0.362 -6.517 1.00 25.00 O ATOM 0 H ASP B 541 -12.413 2.324 -4.126 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.485 -0.201 -5.164 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.794 0.775 -4.139 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -11.111 -0.929 -4.396 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.380 0.545 -2.009 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.727 0.079 -0.655 1.00 25.00 C ATOM 1777 C PHE B 542 -15.208 -0.332 -0.570 1.00 25.00 C ATOM 1778 O PHE B 542 -15.582 -1.153 0.272 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.419 1.181 0.373 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.722 0.812 1.807 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.762 0.201 2.600 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.971 1.069 2.354 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -13.041 -0.144 3.910 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -15.255 0.727 3.662 1.00 25.00 C ATOM 1785 CZ PHE B 542 -14.289 0.120 4.441 1.00 25.00 C ATOM 0 H PHE B 542 -13.253 1.554 -2.084 1.00 25.00 H new ATOM 0 HA PHE B 542 -13.123 -0.800 -0.431 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.365 1.446 0.296 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.991 2.071 0.113 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.785 -0.008 2.190 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.731 1.542 1.750 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -12.284 -0.619 4.517 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -16.231 0.934 4.075 1.00 25.00 H new ATOM 0 HZ PHE B 542 -14.509 -0.148 5.464 1.00 25.00 H new ATOM 1795 N SER B 543 -16.035 0.252 -1.452 1.00 25.00 N ATOM 1796 CA SER B 543 -17.469 -0.057 -1.519 1.00 25.00 C ATOM 1797 C SER B 543 -17.735 -1.339 -2.323 1.00 25.00 C ATOM 1798 O SER B 543 -18.751 -2.010 -2.113 1.00 25.00 O ATOM 1799 CB SER B 543 -18.228 1.121 -2.138 1.00 25.00 C ATOM 1800 OG SER B 543 -17.852 1.329 -3.490 1.00 25.00 O ATOM 0 H SER B 543 -15.729 0.947 -2.134 1.00 25.00 H new ATOM 0 HA SER B 543 -17.824 -0.224 -0.502 1.00 25.00 H new ATOM 0 HB2 SER B 543 -19.300 0.934 -2.082 1.00 25.00 H new ATOM 0 HB3 SER B 543 -18.032 2.025 -1.561 1.00 25.00 H new ATOM 0 HG SER B 543 -18.355 2.086 -3.857 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.811 -1.668 -3.240 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.925 -2.864 -4.085 1.00 25.00 C ATOM 1808 C ALA B 544 -16.397 -4.119 -3.379 1.00 25.00 C ATOM 1809 O ALA B 544 -16.781 -5.239 -3.728 1.00 25.00 O ATOM 1810 CB ALA B 544 -16.187 -2.646 -5.400 1.00 25.00 C ATOM 0 H ALA B 544 -15.971 -1.116 -3.415 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.984 -3.026 -4.287 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.277 -3.538 -6.020 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.621 -1.795 -5.924 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -15.134 -2.449 -5.198 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.520 -3.918 -2.384 1.00 25.00 N ATOM 1817 CA LEU B 545 -14.915 -5.016 -1.622 1.00 25.00 C ATOM 1818 C LEU B 545 -15.818 -5.509 -0.481 1.00 25.00 C ATOM 1819 O LEU B 545 -15.605 -6.605 0.048 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.562 -4.564 -1.065 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.455 -4.333 -2.105 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.308 -3.529 -1.510 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -11.919 -5.661 -2.639 1.00 25.00 C ATOM 0 H LEU B 545 -15.212 -2.992 -2.087 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.780 -5.856 -2.304 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.710 -3.639 -0.508 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.215 -5.313 -0.353 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.895 -3.770 -2.928 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.538 -3.379 -2.267 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.679 -2.561 -1.173 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.885 -4.070 -0.664 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.137 -5.469 -3.373 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.508 -6.245 -1.816 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.729 -6.218 -3.110 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.826 -4.701 -0.108 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.794 -5.083 0.936 1.00 25.00 C ATOM 1837 C LEU B 546 -18.828 -6.066 0.385 1.00 25.00 C ATOM 1838 O LEU B 546 -19.176 -7.053 1.039 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.511 -3.841 1.506 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.649 -2.868 2.323 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.429 -1.595 2.619 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.187 -3.504 3.623 1.00 25.00 C ATOM 0 H LEU B 546 -16.992 -3.780 -0.514 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.238 -5.567 1.739 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -18.953 -3.291 0.675 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.333 -4.181 2.136 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.768 -2.621 1.730 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -17.807 -0.913 3.199 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.715 -1.117 1.682 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -19.325 -1.841 3.189 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.579 -2.792 4.180 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.055 -3.785 4.219 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.595 -4.393 3.403 1.00 25.00 H new ATOM 1854 N SER B 547 -19.308 -5.769 -0.825 1.00 25.00 N ATOM 1855 CA SER B 547 -20.248 -6.636 -1.552 1.00 25.00 C ATOM 1856 C SER B 547 -19.542 -7.854 -2.177 1.00 25.00 C ATOM 1857 O SER B 547 -20.195 -8.831 -2.556 1.00 25.00 O ATOM 1858 CB SER B 547 -20.975 -5.831 -2.638 1.00 25.00 C ATOM 1859 OG SER B 547 -20.076 -5.367 -3.633 1.00 25.00 O ATOM 0 H SER B 547 -19.057 -4.920 -1.332 1.00 25.00 H new ATOM 0 HA SER B 547 -20.974 -7.012 -0.831 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.742 -6.452 -3.101 1.00 25.00 H new ATOM 0 HB3 SER B 547 -21.485 -4.982 -2.183 1.00 25.00 H new ATOM 0 HG SER B 547 -20.571 -4.860 -4.310 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.204 -7.779 -2.271 1.00 25.00 N ATOM 1866 CA GLN B 548 -17.384 -8.816 -2.917 1.00 25.00 C ATOM 1867 C GLN B 548 -17.251 -10.075 -2.048 1.00 25.00 C ATOM 1868 O GLN B 548 -17.065 -11.181 -2.567 1.00 25.00 O ATOM 1869 CB GLN B 548 -15.998 -8.236 -3.243 1.00 25.00 C ATOM 1870 CG GLN B 548 -14.973 -9.254 -3.736 1.00 25.00 C ATOM 1871 CD GLN B 548 -15.372 -9.939 -5.036 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -16.278 -9.489 -5.736 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -14.692 -11.033 -5.364 1.00 25.00 N ATOM 0 H GLN B 548 -17.661 -6.998 -1.902 1.00 25.00 H new ATOM 0 HA GLN B 548 -17.884 -9.120 -3.837 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -16.114 -7.462 -4.002 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -15.605 -7.750 -2.350 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -14.015 -8.753 -3.878 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -14.826 -10.011 -2.966 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -13.948 -11.373 -4.755 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -14.915 -11.533 -6.225 1.00 25.00 H new ATOM 1882 N ILE B 549 -17.349 -9.885 -0.739 1.00 25.00 N ATOM 1883 CA ILE B 549 -17.234 -10.985 0.233 1.00 25.00 C ATOM 1884 C ILE B 549 -18.597 -11.389 0.820 1.00 25.00 C ATOM 1885 O ILE B 549 -18.742 -12.494 1.352 1.00 25.00 O ATOM 1886 CB ILE B 549 -16.220 -10.666 1.385 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -16.559 -9.365 2.153 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -14.802 -10.586 0.834 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -15.729 -9.133 3.402 1.00 25.00 C ATOM 0 H ILE B 549 -17.510 -8.972 -0.314 1.00 25.00 H new ATOM 0 HA ILE B 549 -16.843 -11.833 -0.330 1.00 25.00 H new ATOM 0 HB ILE B 549 -16.297 -11.486 2.099 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -16.425 -8.517 1.481 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -17.612 -9.388 2.432 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -14.108 -10.364 1.645 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -14.534 -11.539 0.379 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -14.747 -9.797 0.084 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -16.035 -8.200 3.874 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -15.880 -9.958 4.098 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -14.675 -9.074 3.132 1.00 25.00 H new ATOM 1901 N SER B 550 -19.584 -10.487 0.712 1.00 25.00 N ATOM 1902 CA SER B 550 -20.930 -10.731 1.244 1.00 25.00 C ATOM 1903 C SER B 550 -21.865 -11.291 0.164 1.00 25.00 C ATOM 1904 O SER B 550 -22.695 -12.160 0.448 1.00 25.00 O ATOM 1905 CB SER B 550 -21.508 -9.434 1.828 1.00 25.00 C ATOM 1906 OG SER B 550 -21.608 -8.419 0.840 1.00 25.00 O ATOM 0 H SER B 550 -19.473 -9.580 0.259 1.00 25.00 H new ATOM 0 HA SER B 550 -20.851 -11.476 2.035 1.00 25.00 H new ATOM 0 HB2 SER B 550 -22.493 -9.631 2.250 1.00 25.00 H new ATOM 0 HB3 SER B 550 -20.875 -9.087 2.645 1.00 25.00 H new ATOM 0 HG SER B 550 -20.849 -7.805 0.923 1.00 25.00 H new ATOM 1912 N SER B 551 -21.722 -10.786 -1.070 1.00 25.00 N ATOM 1913 CA SER B 551 -22.542 -11.230 -2.198 1.00 25.00 C ATOM 1914 C SER B 551 -21.677 -11.898 -3.272 1.00 25.00 C ATOM 1915 O SER B 551 -21.679 -13.145 -3.333 1.00 25.00 O ATOM 1916 CB SER B 551 -23.328 -10.052 -2.792 1.00 25.00 C ATOM 1917 OG SER B 551 -24.197 -9.479 -1.831 1.00 25.00 O ATOM 1918 OXT SER B 551 -20.993 -11.173 -4.031 1.00 25.00 O ATOM 0 H SER B 551 -21.041 -10.066 -1.309 1.00 25.00 H new ATOM 0 HA SER B 551 -23.255 -11.968 -1.829 1.00 25.00 H new ATOM 0 HB2 SER B 551 -22.634 -9.295 -3.156 1.00 25.00 H new ATOM 0 HB3 SER B 551 -23.906 -10.393 -3.651 1.00 25.00 H new ATOM 0 HG SER B 551 -24.684 -8.730 -2.235 1.00 25.00 H new TER 1924 SER B 551