USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 735 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 NoAdj-H: A 787 HIS HD1 : A 787 HIS ND1 : A 843 ZNZN :(H bumps) USER MOD Set 1.1: A 805 ASN : amide:sc= 1.44 K(o=1.4,f=-4.4!) USER MOD Set 1.2: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 775 HIS : no HE2:sc= 1.32 K(o=2.5,f=-6) USER MOD Set 2.2: A 815 LYS NZ :NH3+ 178:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 767 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 774 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 763 CYS SG : rot -71:sc= 0.133 USER MOD Set 4.2: A 796 LYS NZ :NH3+ -154:sc= 0.126 (180deg=0) USER MOD Single : A -2 MET CE :methyl -174:sc= 0 (180deg=-0.0573) USER MOD Single : A -4 GLY N :NH3+ -123:sc= 0.0852 (180deg=0) USER MOD Single : A 755 MET CE :methyl -174:sc= 0 (180deg=-0.0431) USER MOD Single : A 756 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 757 SER OG : rot 180:sc= 0.106 USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 769 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.624) USER MOD Single : A 770 THR OG1 : rot -170:sc= 0.00323 USER MOD Single : A 772 LYS NZ :NH3+ -171:sc= 0.719 (180deg=0.669) USER MOD Single : A 773 TYR OH : rot -170:sc= 0.153 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.00698 USER MOD Single : A 784 SER OG : rot 81:sc= 0.816 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 790 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 792 HIS : no HE2:sc= 0.141 K(o=0.14,f=-0.8) USER MOD Single : A 793 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 809 SER OG : rot 180:sc= -0.0693 USER MOD Single : A 816 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.09) USER MOD Single : A 817 HIS : no HD1:sc=-0.000578 X(o=-0.00058,f=-0.00058) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 831 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 833 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 835 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 836 THR OG1 : rot 180:sc= 0.0096 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 25.273 5.806 1.208 1.00 0.00 N ATOM 2 CA GLY A -4 25.603 4.485 1.786 1.00 0.00 C ATOM 3 C GLY A -4 26.017 3.466 0.727 1.00 0.00 C ATOM 4 O GLY A -4 26.246 3.848 -0.430 1.00 0.00 O ATOM 0 H1 GLY A -4 25.873 6.535 1.644 1.00 0.00 H new ATOM 0 H2 GLY A -4 25.441 5.788 0.182 1.00 0.00 H new ATOM 0 H3 GLY A -4 24.273 6.025 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A -4 26.411 4.601 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A -4 24.739 4.105 2.332 1.00 0.00 H new ATOM 10 N PRO A -3 26.126 2.169 1.092 1.00 0.00 N ATOM 11 CA PRO A -3 26.469 1.066 0.186 1.00 0.00 C ATOM 12 C PRO A -3 25.483 0.916 -0.981 1.00 0.00 C ATOM 13 O PRO A -3 24.303 1.248 -0.860 1.00 0.00 O ATOM 14 CB PRO A -3 26.488 -0.201 1.055 1.00 0.00 C ATOM 15 CG PRO A -3 26.749 0.325 2.462 1.00 0.00 C ATOM 16 CD PRO A -3 26.015 1.664 2.461 1.00 0.00 C ATOM 0 HA PRO A -3 27.433 1.257 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A -3 25.542 -0.739 0.998 1.00 0.00 H new ATOM 0 HB3 PRO A -3 27.267 -0.893 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A -3 26.360 -0.349 3.225 1.00 0.00 H new ATOM 0 HG3 PRO A -3 27.814 0.447 2.658 1.00 0.00 H new ATOM 0 HD2 PRO A -3 24.971 1.540 2.750 1.00 0.00 H new ATOM 0 HD3 PRO A -3 26.463 2.358 3.173 1.00 0.00 H new ATOM 24 N MET A -2 25.972 0.367 -2.100 1.00 0.00 N ATOM 25 CA MET A -2 25.169 0.069 -3.294 1.00 0.00 C ATOM 26 C MET A -2 24.512 -1.321 -3.219 1.00 0.00 C ATOM 27 O MET A -2 25.079 -2.258 -2.650 1.00 0.00 O ATOM 28 CB MET A -2 26.038 0.180 -4.561 1.00 0.00 C ATOM 29 CG MET A -2 26.543 1.615 -4.812 1.00 0.00 C ATOM 30 SD MET A -2 25.275 2.892 -5.058 1.00 0.00 S ATOM 31 CE MET A -2 24.557 2.338 -6.626 1.00 0.00 C ATOM 0 H MET A -2 26.954 0.113 -2.203 1.00 0.00 H new ATOM 0 HA MET A -2 24.367 0.806 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A -2 26.892 -0.491 -4.471 1.00 0.00 H new ATOM 0 HB3 MET A -2 25.461 -0.154 -5.423 1.00 0.00 H new ATOM 0 HG2 MET A -2 27.164 1.910 -3.966 1.00 0.00 H new ATOM 0 HG3 MET A -2 27.187 1.601 -5.691 1.00 0.00 H new ATOM 0 HE1 MET A -2 23.832 3.074 -6.975 1.00 0.00 H new ATOM 0 HE2 MET A -2 25.347 2.227 -7.369 1.00 0.00 H new ATOM 0 HE3 MET A -2 24.059 1.380 -6.480 1.00 0.00 H new ATOM 41 N GLY A -1 23.320 -1.458 -3.813 1.00 0.00 N ATOM 42 CA GLY A -1 22.553 -2.709 -3.862 1.00 0.00 C ATOM 43 C GLY A -1 21.143 -2.546 -4.429 1.00 0.00 C ATOM 44 O GLY A -1 20.641 -1.427 -4.573 1.00 0.00 O ATOM 0 H GLY A -1 22.851 -0.684 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A -1 23.097 -3.434 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A -1 22.484 -3.122 -2.856 1.00 0.00 H new ATOM 48 N MET A 755 20.506 -3.676 -4.755 1.00 0.00 N ATOM 49 CA MET A 755 19.147 -3.743 -5.315 1.00 0.00 C ATOM 50 C MET A 755 18.074 -3.943 -4.235 1.00 0.00 C ATOM 51 O MET A 755 18.321 -4.570 -3.201 1.00 0.00 O ATOM 52 CB MET A 755 19.058 -4.888 -6.342 1.00 0.00 C ATOM 53 CG MET A 755 19.928 -4.640 -7.585 1.00 0.00 C ATOM 54 SD MET A 755 19.516 -3.168 -8.573 1.00 0.00 S ATOM 55 CE MET A 755 17.910 -3.660 -9.240 1.00 0.00 C ATOM 0 H MET A 755 20.931 -4.595 -4.634 1.00 0.00 H new ATOM 0 HA MET A 755 18.954 -2.785 -5.798 1.00 0.00 H new ATOM 0 HB2 MET A 755 19.366 -5.820 -5.868 1.00 0.00 H new ATOM 0 HB3 MET A 755 18.020 -5.015 -6.650 1.00 0.00 H new ATOM 0 HG2 MET A 755 20.967 -4.558 -7.265 1.00 0.00 H new ATOM 0 HG3 MET A 755 19.861 -5.516 -8.231 1.00 0.00 H new ATOM 0 HE1 MET A 755 17.568 -2.911 -9.954 1.00 0.00 H new ATOM 0 HE2 MET A 755 18.004 -4.623 -9.741 1.00 0.00 H new ATOM 0 HE3 MET A 755 17.188 -3.743 -8.427 1.00 0.00 H new ATOM 65 N GLN A 756 16.866 -3.442 -4.496 1.00 0.00 N ATOM 66 CA GLN A 756 15.649 -3.738 -3.725 1.00 0.00 C ATOM 67 C GLN A 756 14.819 -4.837 -4.416 1.00 0.00 C ATOM 68 O GLN A 756 15.047 -5.166 -5.582 1.00 0.00 O ATOM 69 CB GLN A 756 14.839 -2.448 -3.507 1.00 0.00 C ATOM 70 CG GLN A 756 14.267 -1.806 -4.785 1.00 0.00 C ATOM 71 CD GLN A 756 13.519 -0.507 -4.487 1.00 0.00 C ATOM 72 OE1 GLN A 756 13.999 0.596 -4.737 1.00 0.00 O ATOM 73 NE2 GLN A 756 12.326 -0.565 -3.922 1.00 0.00 N ATOM 0 H GLN A 756 16.698 -2.800 -5.271 1.00 0.00 H new ATOM 0 HA GLN A 756 15.929 -4.123 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 756 14.014 -2.667 -2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 756 15.476 -1.718 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 756 15.079 -1.605 -5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 756 13.592 -2.509 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 756 11.908 -1.470 -3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 756 11.823 0.295 -3.703 1.00 0.00 H new ATOM 82 N SER A 757 13.822 -5.394 -3.725 1.00 0.00 N ATOM 83 CA SER A 757 12.954 -6.464 -4.245 1.00 0.00 C ATOM 84 C SER A 757 11.604 -6.545 -3.500 1.00 0.00 C ATOM 85 O SER A 757 11.333 -5.774 -2.571 1.00 0.00 O ATOM 86 CB SER A 757 13.687 -7.818 -4.214 1.00 0.00 C ATOM 87 OG SER A 757 13.065 -8.767 -5.072 1.00 0.00 O ATOM 0 H SER A 757 13.588 -5.113 -2.773 1.00 0.00 H new ATOM 0 HA SER A 757 12.723 -6.216 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 757 14.725 -7.678 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 757 13.701 -8.202 -3.194 1.00 0.00 H new ATOM 0 HG SER A 757 13.555 -9.615 -5.031 1.00 0.00 H new ATOM 93 N ILE A 758 10.733 -7.469 -3.916 1.00 0.00 N ATOM 94 CA ILE A 758 9.342 -7.638 -3.455 1.00 0.00 C ATOM 95 C ILE A 758 9.213 -8.876 -2.538 1.00 0.00 C ATOM 96 O ILE A 758 10.027 -9.800 -2.602 1.00 0.00 O ATOM 97 CB ILE A 758 8.388 -7.712 -4.685 1.00 0.00 C ATOM 98 CG1 ILE A 758 8.677 -6.653 -5.783 1.00 0.00 C ATOM 99 CG2 ILE A 758 6.905 -7.623 -4.286 1.00 0.00 C ATOM 100 CD1 ILE A 758 8.630 -5.195 -5.315 1.00 0.00 C ATOM 0 H ILE A 758 10.988 -8.159 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 758 9.051 -6.775 -2.857 1.00 0.00 H new ATOM 0 HB ILE A 758 8.595 -8.694 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 758 9.663 -6.850 -6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 758 7.954 -6.782 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 758 6.284 -7.679 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 758 6.657 -8.449 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 758 6.722 -6.677 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 758 8.845 -4.536 -6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.638 -4.971 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 758 9.373 -5.040 -4.533 1.00 0.00 H new ATOM 112 N ARG A 759 8.168 -8.929 -1.704 1.00 0.00 N ATOM 113 CA ARG A 759 7.871 -10.011 -0.743 1.00 0.00 C ATOM 114 C ARG A 759 7.415 -11.360 -1.355 1.00 0.00 C ATOM 115 O ARG A 759 6.779 -12.168 -0.679 1.00 0.00 O ATOM 116 CB ARG A 759 6.876 -9.495 0.310 1.00 0.00 C ATOM 117 CG ARG A 759 5.490 -9.169 -0.274 1.00 0.00 C ATOM 118 CD ARG A 759 4.651 -8.320 0.689 1.00 0.00 C ATOM 119 NE ARG A 759 3.394 -7.894 0.049 1.00 0.00 N ATOM 120 CZ ARG A 759 2.564 -6.965 0.513 1.00 0.00 C ATOM 121 NH1 ARG A 759 2.766 -6.351 1.660 1.00 0.00 N ATOM 122 NH2 ARG A 759 1.501 -6.630 -0.186 1.00 0.00 N ATOM 0 H ARG A 759 7.470 -8.186 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 759 8.824 -10.265 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 759 6.766 -10.244 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 759 7.285 -8.600 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.609 -8.637 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 759 4.962 -10.096 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 759 4.430 -8.894 1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.221 -7.445 1.001 1.00 0.00 H new ATOM 0 HE ARG A 759 3.139 -8.352 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 759 3.582 -6.583 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.106 -5.643 1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 759 1.316 -7.083 -1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 759 0.862 -5.918 0.167 1.00 0.00 H new ATOM 136 N GLU A 760 7.722 -11.606 -2.627 1.00 0.00 N ATOM 137 CA GLU A 760 7.460 -12.842 -3.373 1.00 0.00 C ATOM 138 C GLU A 760 8.666 -13.173 -4.273 1.00 0.00 C ATOM 139 O GLU A 760 9.439 -12.286 -4.640 1.00 0.00 O ATOM 140 CB GLU A 760 6.162 -12.732 -4.199 1.00 0.00 C ATOM 141 CG GLU A 760 6.115 -11.535 -5.165 1.00 0.00 C ATOM 142 CD GLU A 760 4.868 -11.546 -6.063 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.782 -11.994 -5.621 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.956 -11.092 -7.226 1.00 0.00 O ATOM 0 H GLU A 760 8.190 -10.906 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 760 7.321 -13.656 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.033 -13.650 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.316 -12.663 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.136 -10.609 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 760 7.008 -11.543 -5.790 1.00 0.00 H new ATOM 151 N GLN A 761 8.835 -14.454 -4.617 1.00 0.00 N ATOM 152 CA GLN A 761 10.050 -14.960 -5.266 1.00 0.00 C ATOM 153 C GLN A 761 9.736 -15.976 -6.372 1.00 0.00 C ATOM 154 O GLN A 761 8.842 -16.817 -6.231 1.00 0.00 O ATOM 155 CB GLN A 761 11.001 -15.547 -4.207 1.00 0.00 C ATOM 156 CG GLN A 761 10.437 -16.801 -3.514 1.00 0.00 C ATOM 157 CD GLN A 761 11.306 -17.235 -2.336 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.120 -18.148 -2.427 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.176 -16.601 -1.186 1.00 0.00 N ATOM 0 H GLN A 761 8.130 -15.173 -4.453 1.00 0.00 H new ATOM 0 HA GLN A 761 10.547 -14.123 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.951 -15.797 -4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.210 -14.787 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.425 -16.599 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.369 -17.615 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.503 -15.840 -1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.749 -16.872 -0.387 1.00 0.00 H new ATOM 168 N SER A 762 10.479 -15.917 -7.476 1.00 0.00 N ATOM 169 CA SER A 762 10.331 -16.854 -8.596 1.00 0.00 C ATOM 170 C SER A 762 10.853 -18.268 -8.266 1.00 0.00 C ATOM 171 O SER A 762 11.776 -18.459 -7.466 1.00 0.00 O ATOM 172 CB SER A 762 10.990 -16.297 -9.869 1.00 0.00 C ATOM 173 OG SER A 762 12.341 -15.905 -9.647 1.00 0.00 O ATOM 0 H SER A 762 11.205 -15.216 -7.622 1.00 0.00 H new ATOM 0 HA SER A 762 9.262 -16.958 -8.780 1.00 0.00 H new ATOM 0 HB2 SER A 762 10.957 -17.053 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.419 -15.440 -10.227 1.00 0.00 H new ATOM 0 HG SER A 762 12.722 -15.559 -10.481 1.00 0.00 H new ATOM 179 N CYS A 763 10.246 -19.277 -8.900 1.00 0.00 N ATOM 180 CA CYS A 763 10.476 -20.703 -8.642 1.00 0.00 C ATOM 181 C CYS A 763 10.062 -21.539 -9.864 1.00 0.00 C ATOM 182 O CYS A 763 9.314 -21.056 -10.720 1.00 0.00 O ATOM 183 CB CYS A 763 9.699 -21.075 -7.362 1.00 0.00 C ATOM 184 SG CYS A 763 10.105 -22.746 -6.760 1.00 0.00 S ATOM 0 H CYS A 763 9.556 -19.117 -9.634 1.00 0.00 H new ATOM 0 HA CYS A 763 11.533 -20.916 -8.482 1.00 0.00 H new ATOM 0 HB2 CYS A 763 9.921 -20.347 -6.582 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.629 -21.014 -7.560 1.00 0.00 H new ATOM 0 HG CYS A 763 9.599 -23.632 -7.565 1.00 0.00 H new ATOM 190 N ARG A 764 10.522 -22.788 -9.956 1.00 0.00 N ATOM 191 CA ARG A 764 10.020 -23.768 -10.930 1.00 0.00 C ATOM 192 C ARG A 764 8.763 -24.464 -10.386 1.00 0.00 C ATOM 193 O ARG A 764 8.651 -24.706 -9.182 1.00 0.00 O ATOM 194 CB ARG A 764 11.139 -24.744 -11.331 1.00 0.00 C ATOM 195 CG ARG A 764 10.829 -25.382 -12.695 1.00 0.00 C ATOM 196 CD ARG A 764 11.956 -26.290 -13.199 1.00 0.00 C ATOM 197 NE ARG A 764 13.199 -25.546 -13.485 1.00 0.00 N ATOM 198 CZ ARG A 764 13.445 -24.770 -14.539 1.00 0.00 C ATOM 199 NH1 ARG A 764 12.576 -24.611 -15.513 1.00 0.00 N ATOM 200 NH2 ARG A 764 14.593 -24.133 -14.617 1.00 0.00 N ATOM 0 H ARG A 764 11.259 -23.154 -9.353 1.00 0.00 H new ATOM 0 HA ARG A 764 9.716 -23.259 -11.845 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.092 -24.216 -11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.241 -25.521 -10.574 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.909 -25.962 -12.619 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.649 -24.594 -13.427 1.00 0.00 H new ATOM 0 HD2 ARG A 764 12.160 -27.058 -12.453 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.628 -26.803 -14.103 1.00 0.00 H new ATOM 0 HE ARG A 764 13.951 -25.636 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 764 11.677 -25.091 -15.477 1.00 0.00 H new ATOM 0 HH12 ARG A 764 12.801 -24.008 -16.304 1.00 0.00 H new ATOM 0 HH21 ARG A 764 15.285 -24.236 -13.875 1.00 0.00 H new ATOM 0 HH22 ARG A 764 14.792 -23.536 -15.420 1.00 0.00 H new ATOM 214 N VAL A 765 7.805 -24.750 -11.262 1.00 0.00 N ATOM 215 CA VAL A 765 6.456 -25.247 -10.949 1.00 0.00 C ATOM 216 C VAL A 765 5.990 -26.273 -11.999 1.00 0.00 C ATOM 217 O VAL A 765 6.582 -26.378 -13.072 1.00 0.00 O ATOM 218 CB VAL A 765 5.429 -24.089 -10.846 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.628 -23.251 -9.580 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.463 -23.150 -12.060 1.00 0.00 C ATOM 0 H VAL A 765 7.950 -24.638 -12.265 1.00 0.00 H new ATOM 0 HA VAL A 765 6.512 -25.738 -9.977 1.00 0.00 H new ATOM 0 HB VAL A 765 4.457 -24.581 -10.810 1.00 0.00 H new ATOM 0 HG11 VAL A 765 4.886 -22.453 -9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.512 -23.886 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.628 -22.817 -9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.723 -22.360 -11.930 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.455 -22.707 -12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.236 -23.715 -12.964 1.00 0.00 H new ATOM 230 N VAL A 766 4.945 -27.031 -11.673 1.00 0.00 N ATOM 231 CA VAL A 766 4.373 -28.104 -12.492 1.00 0.00 C ATOM 232 C VAL A 766 2.846 -28.006 -12.528 1.00 0.00 C ATOM 233 O VAL A 766 2.214 -27.757 -11.498 1.00 0.00 O ATOM 234 CB VAL A 766 4.833 -29.491 -11.970 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.466 -29.761 -10.500 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.311 -30.655 -12.832 1.00 0.00 C ATOM 0 H VAL A 766 4.449 -26.910 -10.790 1.00 0.00 H new ATOM 0 HA VAL A 766 4.737 -27.989 -13.513 1.00 0.00 H new ATOM 0 HB VAL A 766 5.920 -29.444 -12.043 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.822 -30.750 -10.212 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.932 -29.008 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.383 -29.716 -10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.664 -31.600 -12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.221 -30.645 -12.835 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.678 -30.545 -13.853 1.00 0.00 H new ATOM 246 N THR A 767 2.270 -28.239 -13.713 1.00 0.00 N ATOM 247 CA THR A 767 0.831 -28.418 -13.927 1.00 0.00 C ATOM 248 C THR A 767 0.579 -29.878 -14.278 1.00 0.00 C ATOM 249 O THR A 767 1.037 -30.333 -15.328 1.00 0.00 O ATOM 250 CB THR A 767 0.332 -27.516 -15.067 1.00 0.00 C ATOM 251 OG1 THR A 767 0.662 -26.184 -14.757 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.187 -27.600 -15.257 1.00 0.00 C ATOM 0 H THR A 767 2.810 -28.310 -14.575 1.00 0.00 H new ATOM 0 HA THR A 767 0.292 -28.144 -13.020 1.00 0.00 H new ATOM 0 HB THR A 767 0.807 -27.852 -15.989 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.352 -25.594 -15.476 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.488 -26.944 -16.074 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.468 -28.626 -15.493 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.686 -27.289 -14.339 1.00 0.00 H new ATOM 260 N CYS A 768 -0.150 -30.604 -13.425 1.00 0.00 N ATOM 261 CA CYS A 768 -0.668 -31.937 -13.753 1.00 0.00 C ATOM 262 C CYS A 768 -1.831 -31.774 -14.744 1.00 0.00 C ATOM 263 O CYS A 768 -2.858 -31.160 -14.442 1.00 0.00 O ATOM 264 CB CYS A 768 -1.077 -32.691 -12.475 1.00 0.00 C ATOM 265 SG CYS A 768 -1.596 -34.397 -12.874 1.00 0.00 S ATOM 0 H CYS A 768 -0.398 -30.285 -12.488 1.00 0.00 H new ATOM 0 HA CYS A 768 0.105 -32.543 -14.225 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.241 -32.713 -11.776 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.892 -32.163 -11.980 1.00 0.00 H new ATOM 270 N LYS A 769 -1.672 -32.312 -15.953 1.00 0.00 N ATOM 271 CA LYS A 769 -2.676 -32.271 -17.022 1.00 0.00 C ATOM 272 C LYS A 769 -3.844 -33.244 -16.756 1.00 0.00 C ATOM 273 O LYS A 769 -4.938 -33.054 -17.298 1.00 0.00 O ATOM 274 CB LYS A 769 -1.991 -32.582 -18.369 1.00 0.00 C ATOM 275 CG LYS A 769 -0.746 -31.736 -18.691 1.00 0.00 C ATOM 276 CD LYS A 769 -0.941 -30.206 -18.715 1.00 0.00 C ATOM 277 CE LYS A 769 -1.557 -29.656 -20.015 1.00 0.00 C ATOM 278 NZ LYS A 769 -3.023 -29.865 -20.120 1.00 0.00 N ATOM 0 H LYS A 769 -0.820 -32.802 -16.226 1.00 0.00 H new ATOM 0 HA LYS A 769 -3.108 -31.271 -17.054 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.706 -33.634 -18.377 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.720 -32.443 -19.168 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.025 -31.970 -17.957 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -0.365 -32.047 -19.664 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.579 -29.922 -17.878 1.00 0.00 H new ATOM 0 HD3 LYS A 769 0.025 -29.728 -18.556 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -1.346 -28.589 -20.083 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -1.070 -30.132 -20.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -3.432 -29.147 -20.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -3.212 -30.812 -20.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -3.454 -29.782 -19.177 1.00 0.00 H new ATOM 292 N THR A 770 -3.632 -34.263 -15.913 1.00 0.00 N ATOM 293 CA THR A 770 -4.636 -35.285 -15.563 1.00 0.00 C ATOM 294 C THR A 770 -5.606 -34.775 -14.489 1.00 0.00 C ATOM 295 O THR A 770 -6.814 -34.971 -14.648 1.00 0.00 O ATOM 296 CB THR A 770 -3.943 -36.588 -15.140 1.00 0.00 C ATOM 297 OG1 THR A 770 -3.009 -36.962 -16.141 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.923 -37.745 -14.955 1.00 0.00 C ATOM 0 H THR A 770 -2.738 -34.406 -15.443 1.00 0.00 H new ATOM 0 HA THR A 770 -5.236 -35.497 -16.448 1.00 0.00 H new ATOM 0 HB THR A 770 -3.459 -36.396 -14.183 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.679 -37.866 -15.959 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.377 -38.640 -14.656 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.648 -37.488 -14.183 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.444 -37.934 -15.894 1.00 0.00 H new ATOM 306 N CYS A 771 -5.116 -34.082 -13.453 1.00 0.00 N ATOM 307 CA CYS A 771 -5.933 -33.549 -12.343 1.00 0.00 C ATOM 308 C CYS A 771 -6.284 -32.043 -12.483 1.00 0.00 C ATOM 309 O CYS A 771 -7.221 -31.563 -11.832 1.00 0.00 O ATOM 310 CB CYS A 771 -5.177 -33.767 -11.023 1.00 0.00 C ATOM 311 SG CYS A 771 -4.808 -35.528 -10.676 1.00 0.00 S ATOM 0 H CYS A 771 -4.123 -33.869 -13.356 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.879 -34.089 -12.363 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.242 -33.207 -11.052 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.768 -33.359 -10.203 1.00 0.00 H new ATOM 316 N LYS A 772 -5.546 -31.300 -13.318 1.00 0.00 N ATOM 317 CA LYS A 772 -5.745 -29.882 -13.671 1.00 0.00 C ATOM 318 C LYS A 772 -5.426 -28.898 -12.512 1.00 0.00 C ATOM 319 O LYS A 772 -6.062 -27.849 -12.379 1.00 0.00 O ATOM 320 CB LYS A 772 -7.123 -29.633 -14.337 1.00 0.00 C ATOM 321 CG LYS A 772 -7.372 -30.394 -15.654 1.00 0.00 C ATOM 322 CD LYS A 772 -8.019 -31.772 -15.465 1.00 0.00 C ATOM 323 CE LYS A 772 -8.234 -32.483 -16.805 1.00 0.00 C ATOM 324 NZ LYS A 772 -8.747 -33.855 -16.589 1.00 0.00 N ATOM 0 H LYS A 772 -4.739 -31.697 -13.799 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.997 -29.653 -14.430 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.904 -29.905 -13.627 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.226 -28.565 -14.530 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -8.012 -29.789 -16.296 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.423 -30.518 -16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.387 -32.386 -14.824 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.976 -31.659 -14.955 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -8.938 -31.917 -17.415 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -7.295 -32.522 -17.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -8.743 -34.373 -17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -8.141 -34.348 -15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -9.719 -33.808 -16.221 1.00 0.00 H new ATOM 338 N TYR A 773 -4.427 -29.212 -11.672 1.00 0.00 N ATOM 339 CA TYR A 773 -3.864 -28.301 -10.653 1.00 0.00 C ATOM 340 C TYR A 773 -2.423 -27.867 -10.991 1.00 0.00 C ATOM 341 O TYR A 773 -1.706 -28.572 -11.712 1.00 0.00 O ATOM 342 CB TYR A 773 -3.931 -28.935 -9.246 1.00 0.00 C ATOM 343 CG TYR A 773 -2.909 -30.022 -8.956 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.608 -29.692 -8.518 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.267 -31.374 -9.099 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.661 -30.704 -8.269 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.336 -32.396 -8.818 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.021 -32.062 -8.428 1.00 0.00 C ATOM 349 OH TYR A 773 -0.100 -33.040 -8.200 1.00 0.00 O ATOM 0 H TYR A 773 -3.975 -30.127 -11.680 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.480 -27.401 -10.656 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.810 -28.144 -8.506 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -4.927 -29.354 -9.105 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.337 -28.657 -8.373 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.263 -31.632 -9.427 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.339 -30.443 -7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.629 -33.432 -8.901 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.457 -33.902 -8.501 1.00 0.00 H new ATOM 359 N THR A 774 -1.985 -26.740 -10.406 1.00 0.00 N ATOM 360 CA THR A 774 -0.622 -26.187 -10.519 1.00 0.00 C ATOM 361 C THR A 774 -0.006 -26.051 -9.131 1.00 0.00 C ATOM 362 O THR A 774 -0.640 -25.506 -8.231 1.00 0.00 O ATOM 363 CB THR A 774 -0.649 -24.808 -11.207 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.397 -24.898 -12.399 1.00 0.00 O ATOM 365 CG2 THR A 774 0.758 -24.308 -11.558 1.00 0.00 C ATOM 0 H THR A 774 -2.591 -26.167 -9.819 1.00 0.00 H new ATOM 0 HA THR A 774 -0.022 -26.867 -11.123 1.00 0.00 H new ATOM 0 HB THR A 774 -1.099 -24.103 -10.508 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.418 -24.023 -12.839 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.688 -23.333 -12.041 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.351 -24.220 -10.647 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.237 -25.015 -12.236 1.00 0.00 H new ATOM 373 N HIS A 775 1.235 -26.510 -8.958 1.00 0.00 N ATOM 374 CA HIS A 775 2.010 -26.410 -7.713 1.00 0.00 C ATOM 375 C HIS A 775 3.527 -26.560 -7.975 1.00 0.00 C ATOM 376 O HIS A 775 3.958 -26.689 -9.122 1.00 0.00 O ATOM 377 CB HIS A 775 1.469 -27.400 -6.658 1.00 0.00 C ATOM 378 CG HIS A 775 0.740 -26.708 -5.531 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.296 -25.976 -4.503 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.617 -26.656 -5.363 1.00 0.00 C ATOM 381 CE1 HIS A 775 0.302 -25.507 -3.731 1.00 0.00 C ATOM 382 NE2 HIS A 775 -0.891 -25.900 -4.217 1.00 0.00 N ATOM 0 H HIS A 775 1.749 -26.978 -9.705 1.00 0.00 H new ATOM 0 HA HIS A 775 1.882 -25.410 -7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.795 -28.107 -7.141 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.298 -27.978 -6.249 1.00 0.00 H new ATOM 0 HD1 HIS A 775 2.293 -25.818 -4.354 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.352 -27.119 -6.005 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.440 -24.902 -2.847 1.00 0.00 H new ATOM 390 N PHE A 776 4.354 -26.523 -6.922 1.00 0.00 N ATOM 391 CA PHE A 776 5.821 -26.556 -7.003 1.00 0.00 C ATOM 392 C PHE A 776 6.379 -27.929 -7.441 1.00 0.00 C ATOM 393 O PHE A 776 7.461 -27.997 -8.026 1.00 0.00 O ATOM 394 CB PHE A 776 6.418 -26.147 -5.637 1.00 0.00 C ATOM 395 CG PHE A 776 5.587 -25.176 -4.814 1.00 0.00 C ATOM 396 CD1 PHE A 776 5.485 -23.812 -5.164 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.869 -25.662 -3.700 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.646 -22.960 -4.428 1.00 0.00 C ATOM 399 CE2 PHE A 776 4.039 -24.800 -2.957 1.00 0.00 C ATOM 400 CZ PHE A 776 3.922 -23.453 -3.335 1.00 0.00 C ATOM 0 H PHE A 776 4.012 -26.468 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 776 6.117 -25.847 -7.776 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.577 -27.050 -5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 776 7.398 -25.701 -5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 776 6.052 -23.424 -5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 776 4.957 -26.700 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.559 -21.920 -4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.496 -25.173 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 776 3.271 -22.794 -2.780 1.00 0.00 H new ATOM 410 N LYS A 777 5.643 -29.014 -7.168 1.00 0.00 N ATOM 411 CA LYS A 777 6.027 -30.412 -7.443 1.00 0.00 C ATOM 412 C LYS A 777 4.798 -31.357 -7.512 1.00 0.00 C ATOM 413 O LYS A 777 3.759 -31.027 -6.915 1.00 0.00 O ATOM 414 CB LYS A 777 7.042 -30.865 -6.375 1.00 0.00 C ATOM 415 CG LYS A 777 6.457 -30.915 -4.946 1.00 0.00 C ATOM 416 CD LYS A 777 7.561 -31.305 -3.963 1.00 0.00 C ATOM 417 CE LYS A 777 6.993 -31.423 -2.541 1.00 0.00 C ATOM 418 NZ LYS A 777 8.042 -31.808 -1.568 1.00 0.00 N ATOM 0 H LYS A 777 4.724 -28.943 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 777 6.491 -30.465 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.418 -31.853 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.895 -30.186 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 777 6.040 -29.944 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 777 5.641 -31.636 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 777 8.006 -32.253 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 777 8.356 -30.559 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 777 6.551 -30.472 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 777 6.193 -32.164 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 7.625 -31.879 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 8.446 -32.727 -1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 8.793 -31.088 -1.564 1.00 0.00 H new ATOM 432 N PRO A 778 4.879 -32.510 -8.213 1.00 0.00 N ATOM 433 CA PRO A 778 3.776 -33.457 -8.327 1.00 0.00 C ATOM 434 C PRO A 778 3.702 -34.355 -7.083 1.00 0.00 C ATOM 435 O PRO A 778 4.673 -34.498 -6.342 1.00 0.00 O ATOM 436 CB PRO A 778 4.070 -34.257 -9.597 1.00 0.00 C ATOM 437 CG PRO A 778 5.597 -34.321 -9.612 1.00 0.00 C ATOM 438 CD PRO A 778 6.017 -32.986 -8.991 1.00 0.00 C ATOM 0 HA PRO A 778 2.806 -32.963 -8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.624 -35.251 -9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.677 -33.763 -10.486 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.969 -35.167 -9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 778 5.984 -34.432 -10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.894 -33.113 -8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.285 -32.267 -9.765 1.00 0.00 H new ATOM 446 N LYS A 779 2.538 -34.970 -6.858 1.00 0.00 N ATOM 447 CA LYS A 779 2.349 -35.939 -5.770 1.00 0.00 C ATOM 448 C LYS A 779 2.988 -37.306 -6.072 1.00 0.00 C ATOM 449 O LYS A 779 3.147 -37.708 -7.230 1.00 0.00 O ATOM 450 CB LYS A 779 0.852 -36.102 -5.478 1.00 0.00 C ATOM 451 CG LYS A 779 0.221 -34.837 -4.877 1.00 0.00 C ATOM 452 CD LYS A 779 -1.271 -35.015 -4.556 1.00 0.00 C ATOM 453 CE LYS A 779 -2.111 -35.245 -5.820 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.557 -35.407 -5.504 1.00 0.00 N ATOM 0 H LYS A 779 1.702 -34.813 -7.421 1.00 0.00 H new ATOM 0 HA LYS A 779 2.858 -35.544 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.332 -36.358 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.709 -36.935 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.755 -34.567 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.342 -34.009 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.397 -35.860 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.637 -34.131 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -1.980 -34.404 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -1.751 -36.134 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.090 -35.560 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -3.685 -36.225 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -3.907 -34.549 -5.032 1.00 0.00 H new ATOM 468 N GLU A 780 3.270 -38.073 -5.019 1.00 0.00 N ATOM 469 CA GLU A 780 3.762 -39.452 -5.151 1.00 0.00 C ATOM 470 C GLU A 780 2.742 -40.346 -5.873 1.00 0.00 C ATOM 471 O GLU A 780 3.147 -41.203 -6.665 1.00 0.00 O ATOM 472 CB GLU A 780 4.103 -40.038 -3.767 1.00 0.00 C ATOM 473 CG GLU A 780 5.252 -39.315 -3.042 1.00 0.00 C ATOM 474 CD GLU A 780 6.592 -39.451 -3.780 1.00 0.00 C ATOM 475 OE1 GLU A 780 7.231 -40.524 -3.687 1.00 0.00 O ATOM 476 OE2 GLU A 780 7.032 -38.477 -4.441 1.00 0.00 O ATOM 0 H GLU A 780 3.166 -37.762 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 780 4.669 -39.424 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 780 3.212 -40.001 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 780 4.367 -41.089 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 780 5.004 -38.259 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 780 5.353 -39.719 -2.035 1.00 0.00 H new ATOM 483 N THR A 781 1.437 -40.105 -5.679 1.00 0.00 N ATOM 484 CA THR A 781 0.348 -40.764 -6.417 1.00 0.00 C ATOM 485 C THR A 781 0.347 -40.386 -7.890 1.00 0.00 C ATOM 486 O THR A 781 0.213 -41.277 -8.724 1.00 0.00 O ATOM 487 CB THR A 781 -1.009 -40.448 -5.780 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.118 -39.062 -5.524 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.178 -41.174 -4.441 1.00 0.00 C ATOM 0 H THR A 781 1.101 -39.432 -4.990 1.00 0.00 H new ATOM 0 HA THR A 781 0.522 -41.838 -6.356 1.00 0.00 H new ATOM 0 HB THR A 781 -1.775 -40.778 -6.481 1.00 0.00 H new ATOM 0 HG1 THR A 781 -1.990 -38.872 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.151 -40.929 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.112 -42.250 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 781 -0.392 -40.860 -3.755 1.00 0.00 H new ATOM 497 N CYS A 782 0.572 -39.111 -8.225 1.00 0.00 N ATOM 498 CA CYS A 782 0.665 -38.644 -9.610 1.00 0.00 C ATOM 499 C CYS A 782 1.867 -39.270 -10.338 1.00 0.00 C ATOM 500 O CYS A 782 1.734 -39.695 -11.488 1.00 0.00 O ATOM 501 CB CYS A 782 0.739 -37.104 -9.610 1.00 0.00 C ATOM 502 SG CYS A 782 -0.862 -36.398 -9.106 1.00 0.00 S ATOM 0 H CYS A 782 0.696 -38.369 -7.536 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.223 -38.961 -10.158 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.522 -36.770 -8.930 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.006 -36.745 -10.604 1.00 0.00 H new ATOM 507 N VAL A 783 3.007 -39.395 -9.656 1.00 0.00 N ATOM 508 CA VAL A 783 4.198 -40.089 -10.177 1.00 0.00 C ATOM 509 C VAL A 783 3.955 -41.602 -10.316 1.00 0.00 C ATOM 510 O VAL A 783 4.319 -42.178 -11.343 1.00 0.00 O ATOM 511 CB VAL A 783 5.446 -39.791 -9.316 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.690 -40.588 -9.755 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.806 -38.293 -9.387 1.00 0.00 C ATOM 0 H VAL A 783 3.136 -39.016 -8.718 1.00 0.00 H new ATOM 0 HA VAL A 783 4.391 -39.700 -11.177 1.00 0.00 H new ATOM 0 HB VAL A 783 5.180 -40.089 -8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.531 -40.333 -9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.484 -41.656 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.936 -40.340 -10.788 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.687 -38.101 -8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.015 -38.018 -10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.970 -37.700 -9.016 1.00 0.00 H new ATOM 523 N SER A 784 3.324 -42.259 -9.338 1.00 0.00 N ATOM 524 CA SER A 784 3.085 -43.706 -9.330 1.00 0.00 C ATOM 525 C SER A 784 2.010 -44.164 -10.335 1.00 0.00 C ATOM 526 O SER A 784 2.171 -45.203 -10.980 1.00 0.00 O ATOM 527 CB SER A 784 2.661 -44.126 -7.918 1.00 0.00 C ATOM 528 OG SER A 784 3.708 -43.950 -6.971 1.00 0.00 O ATOM 0 H SER A 784 2.957 -41.789 -8.511 1.00 0.00 H new ATOM 0 HA SER A 784 4.017 -44.183 -9.633 1.00 0.00 H new ATOM 0 HB2 SER A 784 1.793 -43.542 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.354 -45.172 -7.928 1.00 0.00 H new ATOM 0 HG SER A 784 3.745 -43.010 -6.695 1.00 0.00 H new ATOM 534 N GLU A 785 0.934 -43.384 -10.514 1.00 0.00 N ATOM 535 CA GLU A 785 -0.109 -43.622 -11.521 1.00 0.00 C ATOM 536 C GLU A 785 0.291 -43.109 -12.919 1.00 0.00 C ATOM 537 O GLU A 785 -0.450 -43.301 -13.886 1.00 0.00 O ATOM 538 CB GLU A 785 -1.432 -42.967 -11.069 1.00 0.00 C ATOM 539 CG GLU A 785 -2.030 -43.580 -9.791 1.00 0.00 C ATOM 540 CD GLU A 785 -2.457 -45.042 -9.986 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.485 -45.301 -10.657 1.00 0.00 O ATOM 542 OE2 GLU A 785 -1.777 -45.950 -9.456 1.00 0.00 O ATOM 0 H GLU A 785 0.761 -42.552 -9.950 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.241 -44.701 -11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.261 -41.903 -10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -2.161 -43.051 -11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.297 -43.523 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.892 -42.991 -9.478 1.00 0.00 H new ATOM 549 N ASN A 786 1.454 -42.458 -13.045 1.00 0.00 N ATOM 550 CA ASN A 786 2.021 -41.936 -14.294 1.00 0.00 C ATOM 551 C ASN A 786 1.073 -40.928 -14.988 1.00 0.00 C ATOM 552 O ASN A 786 0.793 -41.030 -16.185 1.00 0.00 O ATOM 553 CB ASN A 786 2.516 -43.078 -15.208 1.00 0.00 C ATOM 554 CG ASN A 786 3.773 -43.757 -14.670 1.00 0.00 C ATOM 555 OD1 ASN A 786 4.882 -43.494 -15.121 1.00 0.00 O ATOM 556 ND2 ASN A 786 3.658 -44.638 -13.693 1.00 0.00 N ATOM 0 H ASN A 786 2.053 -42.272 -12.241 1.00 0.00 H new ATOM 0 HA ASN A 786 2.909 -41.355 -14.046 1.00 0.00 H new ATOM 0 HB2 ASN A 786 1.725 -43.820 -15.317 1.00 0.00 H new ATOM 0 HB3 ASN A 786 2.719 -42.680 -16.202 1.00 0.00 H new ATOM 0 HD21 ASN A 786 4.489 -45.095 -13.318 1.00 0.00 H new ATOM 0 HD22 ASN A 786 2.738 -44.861 -13.313 1.00 0.00 H new ATOM 563 N HIS A 787 0.579 -39.944 -14.225 1.00 0.00 N ATOM 564 CA HIS A 787 -0.126 -38.769 -14.752 1.00 0.00 C ATOM 565 C HIS A 787 0.795 -37.972 -15.693 1.00 0.00 C ATOM 566 O HIS A 787 2.020 -37.985 -15.539 1.00 0.00 O ATOM 567 CB HIS A 787 -0.647 -37.895 -13.592 1.00 0.00 C ATOM 568 CG HIS A 787 -1.800 -38.474 -12.791 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.551 -37.817 -11.815 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.310 -39.740 -12.938 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.489 -38.699 -11.401 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.366 -39.859 -12.066 1.00 0.00 N ATOM 0 H HIS A 787 0.659 -39.942 -13.208 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.987 -39.099 -15.333 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.181 -37.699 -12.911 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.960 -36.933 -13.999 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.949 -40.501 -13.613 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.232 -38.499 -10.643 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.953 -40.684 -11.945 1.00 0.00 H new ATOM 580 N ASP A 788 0.213 -37.272 -16.663 1.00 0.00 N ATOM 581 CA ASP A 788 0.947 -36.338 -17.532 1.00 0.00 C ATOM 582 C ASP A 788 1.081 -34.972 -16.840 1.00 0.00 C ATOM 583 O ASP A 788 0.119 -34.479 -16.249 1.00 0.00 O ATOM 584 CB ASP A 788 0.228 -36.197 -18.882 1.00 0.00 C ATOM 585 CG ASP A 788 0.340 -37.457 -19.746 1.00 0.00 C ATOM 586 OD1 ASP A 788 1.468 -37.774 -20.199 1.00 0.00 O ATOM 587 OD2 ASP A 788 -0.695 -38.121 -19.995 1.00 0.00 O ATOM 0 H ASP A 788 -0.783 -37.332 -16.874 1.00 0.00 H new ATOM 0 HA ASP A 788 1.947 -36.731 -17.716 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.824 -35.974 -18.707 1.00 0.00 H new ATOM 0 HB3 ASP A 788 0.647 -35.350 -19.426 1.00 0.00 H new ATOM 592 N PHE A 789 2.255 -34.336 -16.946 1.00 0.00 N ATOM 593 CA PHE A 789 2.511 -32.998 -16.397 1.00 0.00 C ATOM 594 C PHE A 789 3.381 -32.140 -17.323 1.00 0.00 C ATOM 595 O PHE A 789 4.289 -32.637 -17.996 1.00 0.00 O ATOM 596 CB PHE A 789 3.129 -33.034 -14.983 1.00 0.00 C ATOM 597 CG PHE A 789 3.507 -34.371 -14.377 1.00 0.00 C ATOM 598 CD1 PHE A 789 2.584 -35.064 -13.574 1.00 0.00 C ATOM 599 CD2 PHE A 789 4.810 -34.874 -14.541 1.00 0.00 C ATOM 600 CE1 PHE A 789 2.969 -36.247 -12.925 1.00 0.00 C ATOM 601 CE2 PHE A 789 5.195 -36.064 -13.894 1.00 0.00 C ATOM 602 CZ PHE A 789 4.271 -36.752 -13.086 1.00 0.00 C ATOM 0 H PHE A 789 3.062 -34.740 -17.420 1.00 0.00 H new ATOM 0 HA PHE A 789 1.528 -32.534 -16.321 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.027 -32.416 -15.001 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.425 -32.553 -14.304 1.00 0.00 H new ATOM 0 HD1 PHE A 789 1.579 -34.686 -13.457 1.00 0.00 H new ATOM 0 HD2 PHE A 789 5.517 -34.347 -15.164 1.00 0.00 H new ATOM 0 HE1 PHE A 789 2.262 -36.772 -12.299 1.00 0.00 H new ATOM 0 HE2 PHE A 789 6.197 -36.448 -14.018 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.562 -37.666 -12.590 1.00 0.00 H new ATOM 612 N HIS A 790 3.126 -30.833 -17.310 1.00 0.00 N ATOM 613 CA HIS A 790 3.968 -29.811 -17.942 1.00 0.00 C ATOM 614 C HIS A 790 4.693 -28.987 -16.859 1.00 0.00 C ATOM 615 O HIS A 790 4.048 -28.393 -15.991 1.00 0.00 O ATOM 616 CB HIS A 790 3.101 -28.880 -18.805 1.00 0.00 C ATOM 617 CG HIS A 790 2.516 -29.470 -20.069 1.00 0.00 C ATOM 618 ND1 HIS A 790 1.796 -28.763 -21.007 1.00 0.00 N ATOM 619 CD2 HIS A 790 2.597 -30.758 -20.528 1.00 0.00 C ATOM 620 CE1 HIS A 790 1.454 -29.598 -22.000 1.00 0.00 C ATOM 621 NE2 HIS A 790 1.922 -30.837 -21.755 1.00 0.00 N ATOM 0 H HIS A 790 2.306 -30.442 -16.847 1.00 0.00 H new ATOM 0 HA HIS A 790 4.707 -30.302 -18.575 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.280 -28.514 -18.189 1.00 0.00 H new ATOM 0 HB3 HIS A 790 3.703 -28.014 -19.081 1.00 0.00 H new ATOM 0 HD2 HIS A 790 3.097 -31.575 -20.029 1.00 0.00 H new ATOM 0 HE1 HIS A 790 0.884 -29.316 -22.873 1.00 0.00 H new ATOM 0 HE2 HIS A 790 1.809 -31.664 -22.342 1.00 0.00 H new ATOM 629 N TRP A 791 6.027 -28.927 -16.918 1.00 0.00 N ATOM 630 CA TRP A 791 6.848 -28.082 -16.049 1.00 0.00 C ATOM 631 C TRP A 791 7.134 -26.702 -16.676 1.00 0.00 C ATOM 632 O TRP A 791 7.285 -26.581 -17.897 1.00 0.00 O ATOM 633 CB TRP A 791 8.163 -28.805 -15.714 1.00 0.00 C ATOM 634 CG TRP A 791 8.047 -29.968 -14.776 1.00 0.00 C ATOM 635 CD1 TRP A 791 7.692 -31.229 -15.114 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.296 -30.005 -13.334 1.00 0.00 C ATOM 637 NE1 TRP A 791 7.704 -32.037 -13.992 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.086 -31.338 -12.869 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.668 -29.043 -12.367 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.274 -31.702 -11.529 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.830 -29.391 -11.012 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.645 -30.723 -10.595 1.00 0.00 C ATOM 0 H TRP A 791 6.575 -29.474 -17.582 1.00 0.00 H new ATOM 0 HA TRP A 791 6.286 -27.903 -15.133 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.610 -29.156 -16.644 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.854 -28.081 -15.282 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.437 -31.556 -16.111 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.460 -33.027 -13.996 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.831 -28.020 -12.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.135 -32.727 -11.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 9.097 -28.633 -10.290 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.788 -30.991 -9.559 1.00 0.00 H new ATOM 653 N HIS A 792 7.244 -25.671 -15.840 1.00 0.00 N ATOM 654 CA HIS A 792 7.540 -24.280 -16.220 1.00 0.00 C ATOM 655 C HIS A 792 8.004 -23.447 -15.002 1.00 0.00 C ATOM 656 O HIS A 792 8.115 -23.976 -13.896 1.00 0.00 O ATOM 657 CB HIS A 792 6.310 -23.653 -16.905 1.00 0.00 C ATOM 658 CG HIS A 792 5.119 -23.412 -16.006 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.694 -22.187 -15.543 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.222 -24.344 -15.552 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.566 -22.373 -14.837 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.242 -23.677 -14.807 1.00 0.00 N ATOM 0 H HIS A 792 7.125 -25.782 -14.833 1.00 0.00 H new ATOM 0 HA HIS A 792 8.367 -24.280 -16.931 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.607 -22.703 -17.348 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.000 -24.303 -17.723 1.00 0.00 H new ATOM 0 HD1 HIS A 792 5.156 -21.293 -15.708 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.264 -25.407 -15.737 1.00 0.00 H new ATOM 0 HE1 HIS A 792 3.000 -21.586 -14.361 1.00 0.00 H new ATOM 670 N ASN A 793 8.283 -22.155 -15.180 1.00 0.00 N ATOM 671 CA ASN A 793 8.589 -21.219 -14.084 1.00 0.00 C ATOM 672 C ASN A 793 7.372 -20.350 -13.697 1.00 0.00 C ATOM 673 O ASN A 793 6.519 -20.047 -14.536 1.00 0.00 O ATOM 674 CB ASN A 793 9.788 -20.348 -14.481 1.00 0.00 C ATOM 675 CG ASN A 793 11.085 -21.153 -14.544 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.596 -21.473 -15.611 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.651 -21.508 -13.403 1.00 0.00 N ATOM 0 H ASN A 793 8.304 -21.718 -16.101 1.00 0.00 H new ATOM 0 HA ASN A 793 8.841 -21.802 -13.198 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.598 -19.890 -15.452 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.900 -19.536 -13.762 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.515 -22.050 -13.409 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.223 -21.240 -12.517 1.00 0.00 H new ATOM 684 N GLY A 794 7.312 -19.943 -12.428 1.00 0.00 N ATOM 685 CA GLY A 794 6.279 -19.082 -11.829 1.00 0.00 C ATOM 686 C GLY A 794 6.807 -18.285 -10.634 1.00 0.00 C ATOM 687 O GLY A 794 8.013 -18.056 -10.528 1.00 0.00 O ATOM 0 H GLY A 794 8.021 -20.218 -11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.901 -18.393 -12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.438 -19.697 -11.509 1.00 0.00 H new ATOM 691 N VAL A 795 5.911 -17.854 -9.745 1.00 0.00 N ATOM 692 CA VAL A 795 6.218 -17.053 -8.539 1.00 0.00 C ATOM 693 C VAL A 795 5.200 -17.327 -7.427 1.00 0.00 C ATOM 694 O VAL A 795 4.002 -17.437 -7.682 1.00 0.00 O ATOM 695 CB VAL A 795 6.330 -15.535 -8.857 1.00 0.00 C ATOM 696 CG1 VAL A 795 5.134 -14.998 -9.659 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.474 -14.656 -7.600 1.00 0.00 C ATOM 0 H VAL A 795 4.915 -18.055 -9.840 1.00 0.00 H new ATOM 0 HA VAL A 795 7.198 -17.367 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 795 7.238 -15.467 -9.456 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.272 -13.934 -9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.064 -15.530 -10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 795 4.217 -15.149 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.547 -13.609 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 795 5.603 -14.793 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.374 -14.944 -7.056 1.00 0.00 H new ATOM 707 N LYS A 796 5.698 -17.458 -6.196 1.00 0.00 N ATOM 708 CA LYS A 796 4.934 -17.911 -5.023 1.00 0.00 C ATOM 709 C LYS A 796 4.710 -16.815 -3.959 1.00 0.00 C ATOM 710 O LYS A 796 5.587 -15.981 -3.705 1.00 0.00 O ATOM 711 CB LYS A 796 5.630 -19.162 -4.460 1.00 0.00 C ATOM 712 CG LYS A 796 6.995 -18.885 -3.794 1.00 0.00 C ATOM 713 CD LYS A 796 7.998 -20.028 -3.986 1.00 0.00 C ATOM 714 CE LYS A 796 7.561 -21.310 -3.264 1.00 0.00 C ATOM 715 NZ LYS A 796 8.485 -22.441 -3.527 1.00 0.00 N ATOM 0 H LYS A 796 6.672 -17.247 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 796 3.921 -18.162 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.971 -19.632 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.772 -19.879 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.415 -17.968 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.845 -18.716 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.113 -20.234 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.975 -19.718 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.513 -21.123 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.555 -21.582 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.973 -23.340 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.857 -22.368 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.274 -22.409 -2.850 1.00 0.00 H new ATOM 729 N ARG A 797 3.525 -16.841 -3.336 1.00 0.00 N ATOM 730 CA ARG A 797 3.065 -15.954 -2.254 1.00 0.00 C ATOM 731 C ARG A 797 2.807 -16.771 -0.977 1.00 0.00 C ATOM 732 O ARG A 797 2.494 -17.970 -1.042 1.00 0.00 O ATOM 733 CB ARG A 797 1.796 -15.144 -2.635 1.00 0.00 C ATOM 734 CG ARG A 797 1.193 -15.338 -4.041 1.00 0.00 C ATOM 735 CD ARG A 797 1.994 -14.628 -5.142 1.00 0.00 C ATOM 736 NE ARG A 797 1.564 -15.066 -6.479 1.00 0.00 N ATOM 737 CZ ARG A 797 1.760 -14.423 -7.624 1.00 0.00 C ATOM 738 NH1 ARG A 797 2.397 -13.273 -7.690 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.293 -14.947 -8.734 1.00 0.00 N ATOM 0 H ARG A 797 2.813 -17.527 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 797 3.861 -15.230 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 797 1.021 -15.381 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 797 2.031 -14.086 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.144 -16.404 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.169 -14.964 -4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.865 -13.549 -5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 797 3.056 -14.834 -5.013 1.00 0.00 H new ATOM 0 HE ARG A 797 1.065 -15.954 -6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.762 -12.843 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 797 2.526 -12.812 -8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 797 0.789 -15.834 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.434 -14.467 -9.623 1.00 0.00 H new ATOM 753 N PHE A 798 2.919 -16.115 0.176 1.00 0.00 N ATOM 754 CA PHE A 798 2.885 -16.728 1.512 1.00 0.00 C ATOM 755 C PHE A 798 1.614 -16.318 2.268 1.00 0.00 C ATOM 756 O PHE A 798 1.167 -15.172 2.152 1.00 0.00 O ATOM 757 CB PHE A 798 4.157 -16.298 2.262 1.00 0.00 C ATOM 758 CG PHE A 798 5.419 -16.469 1.436 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.890 -17.765 1.153 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.058 -15.354 0.857 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.972 -17.948 0.274 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.149 -15.536 -0.010 1.00 0.00 C ATOM 763 CZ PHE A 798 7.603 -16.833 -0.306 1.00 0.00 C ATOM 0 H PHE A 798 3.041 -15.103 0.212 1.00 0.00 H new ATOM 0 HA PHE A 798 2.860 -17.815 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 798 4.062 -15.253 2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.247 -16.882 3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.419 -18.621 1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.708 -14.357 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.319 -18.945 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.639 -14.679 -0.449 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.436 -16.973 -0.979 1.00 0.00 H new ATOM 773 N PHE A 799 1.030 -17.237 3.046 1.00 0.00 N ATOM 774 CA PHE A 799 -0.270 -17.041 3.704 1.00 0.00 C ATOM 775 C PHE A 799 -0.293 -17.551 5.153 1.00 0.00 C ATOM 776 O PHE A 799 0.395 -18.508 5.516 1.00 0.00 O ATOM 777 CB PHE A 799 -1.379 -17.728 2.893 1.00 0.00 C ATOM 778 CG PHE A 799 -1.476 -17.275 1.445 1.00 0.00 C ATOM 779 CD1 PHE A 799 -0.686 -17.893 0.455 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.351 -16.232 1.092 1.00 0.00 C ATOM 781 CE1 PHE A 799 -0.750 -17.449 -0.878 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.411 -15.791 -0.241 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.606 -16.391 -1.225 1.00 0.00 C ATOM 0 H PHE A 799 1.449 -18.147 3.239 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.444 -15.966 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.212 -18.805 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.336 -17.545 3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.030 -18.709 0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -2.975 -15.771 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.141 -17.922 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.079 -14.987 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.646 -16.039 -2.245 1.00 0.00 H new ATOM 793 N LYS A 800 -1.131 -16.901 5.965 1.00 0.00 N ATOM 794 CA LYS A 800 -1.352 -17.182 7.387 1.00 0.00 C ATOM 795 C LYS A 800 -2.851 -17.286 7.718 1.00 0.00 C ATOM 796 O LYS A 800 -3.679 -16.536 7.196 1.00 0.00 O ATOM 797 CB LYS A 800 -0.652 -16.070 8.184 1.00 0.00 C ATOM 798 CG LYS A 800 -0.786 -16.226 9.705 1.00 0.00 C ATOM 799 CD LYS A 800 -0.025 -15.110 10.431 1.00 0.00 C ATOM 800 CE LYS A 800 -0.221 -15.253 11.946 1.00 0.00 C ATOM 801 NZ LYS A 800 0.420 -14.139 12.693 1.00 0.00 N ATOM 0 H LYS A 800 -1.703 -16.125 5.632 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.931 -18.151 7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.406 -16.056 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -1.067 -15.106 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.838 -16.199 9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.398 -17.197 10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.036 -15.160 10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 800 -0.383 -14.136 10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -1.287 -15.278 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.198 -16.203 12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 0.266 -14.271 13.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 1.441 -14.131 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 0.002 -13.235 12.394 1.00 0.00 H new ATOM 815 N CYS A 801 -3.198 -18.219 8.605 1.00 0.00 N ATOM 816 CA CYS A 801 -4.526 -18.391 9.209 1.00 0.00 C ATOM 817 C CYS A 801 -4.569 -17.724 10.607 1.00 0.00 C ATOM 818 O CYS A 801 -3.531 -17.713 11.282 1.00 0.00 O ATOM 819 CB CYS A 801 -4.753 -19.908 9.302 1.00 0.00 C ATOM 820 SG CYS A 801 -6.412 -20.324 9.920 1.00 0.00 S ATOM 0 H CYS A 801 -2.529 -18.912 8.941 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.309 -17.918 8.616 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.612 -20.355 8.318 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -4.003 -20.345 9.961 1.00 0.00 H new ATOM 825 N PRO A 802 -5.719 -17.205 11.087 1.00 0.00 N ATOM 826 CA PRO A 802 -5.835 -16.580 12.410 1.00 0.00 C ATOM 827 C PRO A 802 -5.438 -17.462 13.614 1.00 0.00 C ATOM 828 O PRO A 802 -5.095 -16.903 14.659 1.00 0.00 O ATOM 829 CB PRO A 802 -7.288 -16.082 12.522 1.00 0.00 C ATOM 830 CG PRO A 802 -8.036 -16.821 11.418 1.00 0.00 C ATOM 831 CD PRO A 802 -6.960 -16.996 10.350 1.00 0.00 C ATOM 0 HA PRO A 802 -5.106 -15.772 12.469 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.708 -16.304 13.503 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -7.348 -15.002 12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.425 -17.779 11.763 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.885 -16.246 11.048 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.182 -17.845 9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.894 -16.116 9.710 1.00 0.00 H new ATOM 839 N CYS A 803 -5.437 -18.803 13.504 1.00 0.00 N ATOM 840 CA CYS A 803 -4.926 -19.703 14.560 1.00 0.00 C ATOM 841 C CYS A 803 -3.379 -19.765 14.635 1.00 0.00 C ATOM 842 O CYS A 803 -2.827 -20.301 15.606 1.00 0.00 O ATOM 843 CB CYS A 803 -5.550 -21.104 14.394 1.00 0.00 C ATOM 844 SG CYS A 803 -4.880 -21.996 12.952 1.00 0.00 S ATOM 0 H CYS A 803 -5.789 -19.295 12.683 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.233 -19.283 15.518 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.369 -21.689 15.296 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.631 -21.007 14.288 1.00 0.00 H new ATOM 849 N GLY A 804 -2.677 -19.209 13.639 1.00 0.00 N ATOM 850 CA GLY A 804 -1.213 -19.192 13.500 1.00 0.00 C ATOM 851 C GLY A 804 -0.665 -20.134 12.418 1.00 0.00 C ATOM 852 O GLY A 804 0.502 -19.986 12.045 1.00 0.00 O ATOM 0 H GLY A 804 -3.140 -18.732 12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.894 -18.175 13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.767 -19.460 14.458 1.00 0.00 H new ATOM 856 N ASN A 805 -1.470 -21.072 11.902 1.00 0.00 N ATOM 857 CA ASN A 805 -1.072 -21.996 10.831 1.00 0.00 C ATOM 858 C ASN A 805 -0.730 -21.273 9.503 1.00 0.00 C ATOM 859 O ASN A 805 -1.158 -20.135 9.284 1.00 0.00 O ATOM 860 CB ASN A 805 -2.181 -23.044 10.648 1.00 0.00 C ATOM 861 CG ASN A 805 -1.764 -24.206 9.748 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.597 -24.577 9.677 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.688 -24.785 9.001 1.00 0.00 N ATOM 0 H ASN A 805 -2.429 -21.213 12.221 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.147 -22.491 11.127 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.469 -23.434 11.624 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.062 -22.562 10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.431 -25.540 8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.658 -24.477 9.060 1.00 0.00 H new ATOM 870 N ARG A 806 0.043 -21.912 8.610 1.00 0.00 N ATOM 871 CA ARG A 806 0.618 -21.305 7.392 1.00 0.00 C ATOM 872 C ARG A 806 0.386 -22.164 6.140 1.00 0.00 C ATOM 873 O ARG A 806 0.140 -23.370 6.247 1.00 0.00 O ATOM 874 CB ARG A 806 2.135 -21.096 7.579 1.00 0.00 C ATOM 875 CG ARG A 806 2.545 -20.353 8.857 1.00 0.00 C ATOM 876 CD ARG A 806 2.045 -18.910 8.933 1.00 0.00 C ATOM 877 NE ARG A 806 2.237 -18.384 10.296 1.00 0.00 N ATOM 878 CZ ARG A 806 3.052 -17.419 10.692 1.00 0.00 C ATOM 879 NH1 ARG A 806 3.780 -16.716 9.851 1.00 0.00 N ATOM 880 NH2 ARG A 806 3.142 -17.141 11.974 1.00 0.00 N ATOM 0 H ARG A 806 0.294 -22.895 8.716 1.00 0.00 H new ATOM 0 HA ARG A 806 0.112 -20.351 7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.622 -22.071 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.517 -20.544 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.167 -20.902 9.720 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.633 -20.353 8.930 1.00 0.00 H new ATOM 0 HD2 ARG A 806 2.584 -18.291 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 806 0.990 -18.867 8.662 1.00 0.00 H new ATOM 0 HE ARG A 806 1.671 -18.818 11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 806 3.729 -16.906 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 806 4.395 -15.981 10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 806 2.588 -17.667 12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 806 3.766 -16.400 12.293 1.00 0.00 H new ATOM 894 N THR A 807 0.536 -21.551 4.956 1.00 0.00 N ATOM 895 CA THR A 807 0.588 -22.214 3.636 1.00 0.00 C ATOM 896 C THR A 807 1.206 -21.290 2.582 1.00 0.00 C ATOM 897 O THR A 807 1.516 -20.129 2.860 1.00 0.00 O ATOM 898 CB THR A 807 -0.783 -22.785 3.231 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.591 -23.709 2.182 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.779 -21.720 2.780 1.00 0.00 C ATOM 0 H THR A 807 0.629 -20.538 4.885 1.00 0.00 H new ATOM 0 HA THR A 807 1.250 -23.077 3.710 1.00 0.00 H new ATOM 0 HB THR A 807 -1.210 -23.257 4.116 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.456 -24.083 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.722 -22.195 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.948 -21.013 3.592 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.379 -21.191 1.915 1.00 0.00 H new ATOM 908 N ILE A 808 1.411 -21.809 1.373 1.00 0.00 N ATOM 909 CA ILE A 808 2.096 -21.165 0.238 1.00 0.00 C ATOM 910 C ILE A 808 1.365 -21.554 -1.058 1.00 0.00 C ATOM 911 O ILE A 808 0.927 -22.697 -1.212 1.00 0.00 O ATOM 912 CB ILE A 808 3.598 -21.578 0.189 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.282 -21.438 1.576 1.00 0.00 C ATOM 914 CG2 ILE A 808 4.354 -20.740 -0.865 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.794 -21.704 1.601 1.00 0.00 C ATOM 0 H ILE A 808 1.086 -22.747 1.138 1.00 0.00 H new ATOM 0 HA ILE A 808 2.069 -20.082 0.356 1.00 0.00 H new ATOM 0 HB ILE A 808 3.637 -22.630 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 808 4.103 -20.430 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.799 -22.126 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.401 -21.041 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.909 -20.903 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.285 -19.683 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.169 -21.579 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.990 -22.722 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 808 6.298 -21.000 0.939 1.00 0.00 H new ATOM 927 N SER A 809 1.232 -20.628 -2.001 1.00 0.00 N ATOM 928 CA SER A 809 0.558 -20.859 -3.286 1.00 0.00 C ATOM 929 C SER A 809 1.052 -19.900 -4.373 1.00 0.00 C ATOM 930 O SER A 809 1.771 -18.932 -4.110 1.00 0.00 O ATOM 931 CB SER A 809 -0.972 -20.763 -3.108 1.00 0.00 C ATOM 932 OG SER A 809 -1.658 -21.172 -4.285 1.00 0.00 O ATOM 0 H SER A 809 1.593 -19.679 -1.899 1.00 0.00 H new ATOM 0 HA SER A 809 0.808 -21.866 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.282 -21.386 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.248 -19.737 -2.862 1.00 0.00 H new ATOM 0 HG SER A 809 -2.625 -21.102 -4.141 1.00 0.00 H new ATOM 938 N LEU A 810 0.679 -20.202 -5.618 1.00 0.00 N ATOM 939 CA LEU A 810 1.039 -19.470 -6.828 1.00 0.00 C ATOM 940 C LEU A 810 -0.060 -18.464 -7.211 1.00 0.00 C ATOM 941 O LEU A 810 0.223 -17.460 -7.861 1.00 0.00 O ATOM 942 CB LEU A 810 1.290 -20.491 -7.963 1.00 0.00 C ATOM 943 CG LEU A 810 2.422 -21.529 -7.763 1.00 0.00 C ATOM 944 CD1 LEU A 810 3.765 -20.863 -7.428 1.00 0.00 C ATOM 945 CD2 LEU A 810 2.124 -22.646 -6.749 1.00 0.00 C ATOM 0 H LEU A 810 0.086 -21.008 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 810 1.947 -18.893 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.362 -21.036 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.505 -19.933 -8.874 1.00 0.00 H new ATOM 0 HG LEU A 810 2.487 -22.019 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 810 4.529 -21.630 -7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 810 4.055 -20.198 -8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 810 3.666 -20.288 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 810 2.980 -23.317 -6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 810 1.933 -22.207 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 810 1.247 -23.207 -7.072 1.00 0.00 H new ATOM 957 N ASP A 811 -1.299 -18.702 -6.772 1.00 0.00 N ATOM 958 CA ASP A 811 -2.441 -17.795 -6.939 1.00 0.00 C ATOM 959 C ASP A 811 -2.505 -16.747 -5.814 1.00 0.00 C ATOM 960 O ASP A 811 -1.810 -16.837 -4.799 1.00 0.00 O ATOM 961 CB ASP A 811 -3.730 -18.629 -7.022 1.00 0.00 C ATOM 962 CG ASP A 811 -4.950 -17.862 -7.562 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.778 -16.914 -8.367 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.087 -18.208 -7.171 1.00 0.00 O ATOM 0 H ASP A 811 -1.544 -19.558 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.322 -17.233 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.548 -19.494 -7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -3.966 -19.010 -6.028 1.00 0.00 H new ATOM 969 N ARG A 812 -3.382 -15.752 -5.996 1.00 0.00 N ATOM 970 CA ARG A 812 -3.629 -14.660 -5.039 1.00 0.00 C ATOM 971 C ARG A 812 -4.152 -15.105 -3.656 1.00 0.00 C ATOM 972 O ARG A 812 -4.113 -14.311 -2.714 1.00 0.00 O ATOM 973 CB ARG A 812 -4.559 -13.627 -5.683 1.00 0.00 C ATOM 974 CG ARG A 812 -5.968 -14.182 -5.965 1.00 0.00 C ATOM 975 CD ARG A 812 -6.866 -13.071 -6.519 1.00 0.00 C ATOM 976 NE ARG A 812 -6.518 -12.703 -7.908 1.00 0.00 N ATOM 977 CZ ARG A 812 -6.856 -13.353 -9.013 1.00 0.00 C ATOM 978 NH1 ARG A 812 -7.539 -14.473 -8.985 1.00 0.00 N ATOM 979 NH2 ARG A 812 -6.496 -12.877 -10.185 1.00 0.00 N ATOM 0 H ARG A 812 -3.957 -15.680 -6.836 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.657 -14.216 -4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.640 -12.760 -5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -4.117 -13.280 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.908 -15.003 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.399 -14.587 -5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -7.906 -13.396 -6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.785 -12.190 -5.882 1.00 0.00 H new ATOM 0 HE ARG A 812 -5.958 -11.859 -8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -7.828 -14.872 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -7.781 -14.945 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -5.959 -12.011 -10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -6.754 -13.373 -11.038 1.00 0.00 H new ATOM 993 N LEU A 813 -4.641 -16.349 -3.532 1.00 0.00 N ATOM 994 CA LEU A 813 -5.238 -16.953 -2.330 1.00 0.00 C ATOM 995 C LEU A 813 -5.207 -18.496 -2.478 1.00 0.00 C ATOM 996 O LEU A 813 -5.573 -18.983 -3.557 1.00 0.00 O ATOM 997 CB LEU A 813 -6.673 -16.381 -2.173 1.00 0.00 C ATOM 998 CG LEU A 813 -7.319 -16.278 -0.774 1.00 0.00 C ATOM 999 CD1 LEU A 813 -7.755 -17.635 -0.209 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -6.459 -15.498 0.231 1.00 0.00 C ATOM 0 H LEU A 813 -4.629 -17.000 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.681 -16.711 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.670 -15.379 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.333 -16.991 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 813 -8.228 -15.697 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -8.201 -17.493 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -8.487 -18.089 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.887 -18.289 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -6.968 -15.461 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -5.496 -15.995 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -6.302 -14.483 -0.135 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.751 -19.280 -1.473 1.00 0.00 N ATOM 1013 CA PRO A 814 -4.641 -20.738 -1.560 1.00 0.00 C ATOM 1014 C PRO A 814 -6.018 -21.420 -1.659 1.00 0.00 C ATOM 1015 O PRO A 814 -7.019 -20.900 -1.171 1.00 0.00 O ATOM 1016 CB PRO A 814 -3.870 -21.175 -0.308 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.206 -20.072 0.686 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.209 -18.842 -0.200 1.00 0.00 C ATOM 0 HA PRO A 814 -4.118 -21.038 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.193 -22.154 0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -2.798 -21.241 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.172 -20.233 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.465 -20.000 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -4.818 -18.048 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.202 -18.442 -0.319 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.058 -22.582 -2.317 1.00 0.00 N ATOM 1027 CA LYS A 815 -7.311 -23.222 -2.762 1.00 0.00 C ATOM 1028 C LYS A 815 -8.039 -24.092 -1.710 1.00 0.00 C ATOM 1029 O LYS A 815 -9.207 -24.442 -1.918 1.00 0.00 O ATOM 1030 CB LYS A 815 -7.035 -23.994 -4.075 1.00 0.00 C ATOM 1031 CG LYS A 815 -6.440 -25.408 -3.938 1.00 0.00 C ATOM 1032 CD LYS A 815 -5.023 -25.474 -3.354 1.00 0.00 C ATOM 1033 CE LYS A 815 -4.578 -26.939 -3.262 1.00 0.00 C ATOM 1034 NZ LYS A 815 -3.186 -27.062 -2.763 1.00 0.00 N ATOM 0 H LYS A 815 -5.221 -23.112 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.026 -22.417 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -7.972 -24.072 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -6.356 -23.397 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -7.102 -26.002 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -6.431 -25.876 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -4.332 -24.911 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -5.003 -25.014 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -5.251 -27.482 -2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -4.654 -27.404 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -2.934 -28.068 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -2.537 -26.594 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -3.111 -26.611 -1.829 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.369 -24.475 -0.615 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.837 -25.515 0.329 1.00 0.00 C ATOM 1050 C LYS A 816 -7.891 -25.071 1.809 1.00 0.00 C ATOM 1051 O LYS A 816 -7.394 -24.004 2.180 1.00 0.00 O ATOM 1052 CB LYS A 816 -7.038 -26.814 0.069 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.526 -26.809 0.366 1.00 0.00 C ATOM 1054 CD LYS A 816 -5.184 -26.839 1.861 1.00 0.00 C ATOM 1055 CE LYS A 816 -3.741 -27.296 2.095 1.00 0.00 C ATOM 1056 NZ LYS A 816 -3.424 -27.369 3.544 1.00 0.00 N ATOM 0 H LYS A 816 -6.472 -24.068 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.890 -25.713 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -7.491 -27.608 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -7.171 -27.083 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.068 -27.671 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.081 -25.919 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -5.327 -25.847 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.869 -27.511 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -3.589 -28.274 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.055 -26.605 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -2.506 -27.839 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.381 -26.408 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -4.164 -27.911 4.034 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.516 -25.886 2.662 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.765 -25.603 4.085 1.00 0.00 C ATOM 1072 C HIS A 817 -7.506 -25.638 4.977 1.00 0.00 C ATOM 1073 O HIS A 817 -6.488 -26.247 4.635 1.00 0.00 O ATOM 1074 CB HIS A 817 -9.801 -26.620 4.606 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.097 -26.655 3.834 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -11.517 -27.652 2.984 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.082 -25.703 3.858 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -12.725 -27.303 2.499 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.117 -26.120 3.010 1.00 0.00 N ATOM 0 H HIS A 817 -8.877 -26.795 2.374 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.132 -24.578 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -9.355 -27.614 4.585 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.022 -26.391 5.649 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.064 -24.788 4.432 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.299 -27.890 1.798 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -13.990 -25.628 2.819 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.604 -25.044 6.170 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.581 -25.107 7.211 1.00 0.00 C ATOM 1089 C CYS A 818 -6.344 -26.549 7.696 1.00 0.00 C ATOM 1090 O CYS A 818 -7.274 -27.281 8.040 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.002 -24.182 8.348 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.762 -24.189 9.687 1.00 0.00 S ATOM 0 H CYS A 818 -8.418 -24.493 6.443 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.625 -24.774 6.807 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.128 -23.168 7.969 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -7.969 -24.498 8.740 1.00 0.00 H new ATOM 1097 N SER A 819 -5.078 -26.950 7.759 1.00 0.00 N ATOM 1098 CA SER A 819 -4.643 -28.252 8.277 1.00 0.00 C ATOM 1099 C SER A 819 -4.763 -28.379 9.810 1.00 0.00 C ATOM 1100 O SER A 819 -4.653 -29.493 10.339 1.00 0.00 O ATOM 1101 CB SER A 819 -3.185 -28.515 7.863 1.00 0.00 C ATOM 1102 OG SER A 819 -2.993 -28.265 6.474 1.00 0.00 O ATOM 0 H SER A 819 -4.303 -26.367 7.444 1.00 0.00 H new ATOM 0 HA SER A 819 -5.314 -28.993 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 819 -2.518 -27.879 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 819 -2.920 -29.548 8.090 1.00 0.00 H new ATOM 0 HG SER A 819 -2.058 -28.438 6.237 1.00 0.00 H new ATOM 1108 N THR A 820 -4.965 -27.258 10.532 1.00 0.00 N ATOM 1109 CA THR A 820 -4.934 -27.183 12.006 1.00 0.00 C ATOM 1110 C THR A 820 -6.327 -27.001 12.606 1.00 0.00 C ATOM 1111 O THR A 820 -6.610 -27.657 13.612 1.00 0.00 O ATOM 1112 CB THR A 820 -3.981 -26.061 12.444 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.682 -26.358 11.969 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.880 -25.880 13.958 1.00 0.00 C ATOM 0 H THR A 820 -5.159 -26.357 10.094 1.00 0.00 H new ATOM 0 HA THR A 820 -4.562 -28.134 12.388 1.00 0.00 H new ATOM 0 HB THR A 820 -4.389 -25.139 12.029 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.064 -25.648 12.241 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.187 -25.069 14.182 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.863 -25.640 14.362 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.517 -26.802 14.411 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.199 -26.170 12.014 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.552 -25.898 12.539 1.00 0.00 C ATOM 1124 C CYS A 821 -9.716 -26.153 11.550 1.00 0.00 C ATOM 1125 O CYS A 821 -10.873 -26.253 11.977 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.585 -24.491 13.169 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.496 -23.132 11.961 1.00 0.00 S ATOM 0 H CYS A 821 -6.987 -25.664 11.154 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.741 -26.642 13.312 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.501 -24.386 13.750 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.753 -24.398 13.867 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.431 -26.327 10.255 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.365 -26.878 9.256 1.00 0.00 C ATOM 1134 C GLY A 822 -11.230 -25.867 8.495 1.00 0.00 C ATOM 1135 O GLY A 822 -11.946 -26.271 7.574 1.00 0.00 O ATOM 0 H GLY A 822 -8.523 -26.084 9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -9.788 -27.449 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.027 -27.582 9.760 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.172 -24.575 8.844 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.893 -23.493 8.157 1.00 0.00 C ATOM 1141 C LEU A 823 -11.098 -22.906 6.970 1.00 0.00 C ATOM 1142 O LEU A 823 -10.088 -23.474 6.545 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.390 -22.460 9.194 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.360 -21.836 10.151 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.174 -21.167 9.444 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.062 -20.801 11.044 1.00 0.00 C ATOM 0 H LEU A 823 -10.610 -24.245 9.629 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.783 -23.900 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.873 -21.648 8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.159 -22.940 9.800 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.948 -22.658 10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.494 -20.752 10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.646 -21.906 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.539 -20.367 8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.336 -20.356 11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.502 -20.022 10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.847 -21.291 11.621 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.565 -21.779 6.420 1.00 0.00 N ATOM 1159 CA PHE A 824 -10.957 -21.072 5.293 1.00 0.00 C ATOM 1160 C PHE A 824 -10.933 -19.557 5.567 1.00 0.00 C ATOM 1161 O PHE A 824 -11.881 -18.834 5.253 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.735 -21.450 4.022 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.087 -21.022 2.722 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.103 -21.840 2.141 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.488 -19.838 2.071 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.531 -21.489 0.906 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.912 -19.485 0.834 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.942 -20.319 0.247 1.00 0.00 C ATOM 0 H PHE A 824 -12.409 -21.319 6.763 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.916 -21.365 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -11.869 -22.532 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.729 -21.007 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -9.785 -22.741 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.236 -19.202 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -8.774 -22.120 0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.215 -18.575 0.337 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.514 -20.059 -0.710 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.854 -19.082 6.201 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.662 -17.684 6.640 1.00 0.00 C ATOM 1180 C LYS A 825 -8.230 -17.170 6.348 1.00 0.00 C ATOM 1181 O LYS A 825 -7.662 -16.367 7.099 1.00 0.00 O ATOM 1182 CB LYS A 825 -10.037 -17.554 8.137 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.520 -17.766 8.476 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.439 -16.659 7.931 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.887 -16.927 8.358 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.806 -15.872 7.864 1.00 0.00 N ATOM 0 H LYS A 825 -9.059 -19.678 6.433 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.328 -17.045 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.448 -18.275 8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.743 -16.562 8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.843 -18.726 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.633 -17.820 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.114 -15.688 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.372 -16.621 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.206 -17.897 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.943 -16.979 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.776 -16.085 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -14.516 -14.951 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.771 -15.840 6.825 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.623 -17.654 5.256 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.267 -17.276 4.841 1.00 0.00 C ATOM 1202 C TRP A 826 -6.110 -15.773 4.568 1.00 0.00 C ATOM 1203 O TRP A 826 -6.979 -15.149 3.950 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.872 -18.093 3.603 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.822 -19.573 3.810 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.635 -20.473 3.214 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.895 -20.351 4.630 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.263 -21.750 3.583 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.204 -21.732 4.464 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.813 -20.026 5.479 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.478 -22.740 5.111 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.089 -21.033 6.148 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.417 -22.386 5.964 1.00 0.00 C ATOM 0 H TRP A 826 -8.065 -18.326 4.630 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.598 -17.500 5.672 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.580 -17.877 2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.893 -17.756 3.261 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.451 -20.230 2.550 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.715 -22.600 3.246 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.537 -18.991 5.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.730 -23.779 4.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.277 -20.763 6.806 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.856 -23.153 6.476 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.977 -15.219 4.996 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.536 -13.844 4.747 1.00 0.00 C ATOM 1226 C GLU A 827 -3.144 -13.877 4.119 1.00 0.00 C ATOM 1227 O GLU A 827 -2.252 -14.569 4.619 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.523 -13.088 6.080 1.00 0.00 C ATOM 1229 CG GLU A 827 -4.109 -11.616 5.917 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.406 -10.813 7.193 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -3.529 -10.737 8.089 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.518 -10.245 7.304 1.00 0.00 O ATOM 0 H GLU A 827 -4.305 -15.744 5.556 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.212 -13.334 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.514 -13.136 6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.836 -13.582 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.045 -11.558 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -4.643 -11.176 5.074 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.941 -13.125 3.028 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.643 -13.028 2.355 1.00 0.00 C ATOM 1241 C ARG A 828 -0.664 -12.208 3.204 1.00 0.00 C ATOM 1242 O ARG A 828 -1.000 -11.108 3.651 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.846 -12.453 0.945 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.629 -12.680 0.029 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.968 -12.451 -1.450 1.00 0.00 C ATOM 1246 NE ARG A 828 -1.423 -11.071 -1.700 1.00 0.00 N ATOM 1247 CZ ARG A 828 -2.657 -10.663 -2.002 1.00 0.00 C ATOM 1248 NH1 ARG A 828 -3.660 -11.493 -2.169 1.00 0.00 N ATOM 1249 NH2 ARG A 828 -2.889 -9.375 -2.136 1.00 0.00 N ATOM 0 H ARG A 828 -3.674 -12.568 2.589 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.198 -14.017 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.726 -12.911 0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.046 -11.384 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.176 -12.007 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.260 -13.697 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -0.090 -12.661 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -1.745 -13.151 -1.758 1.00 0.00 H new ATOM 0 HE ARG A 828 -0.711 -10.343 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -3.513 -12.497 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 828 -4.586 -11.134 -2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 828 -2.131 -8.704 -2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 828 -3.827 -9.047 -2.367 1.00 0.00 H new ATOM 1263 N VAL A 829 0.533 -12.747 3.431 1.00 0.00 N ATOM 1264 CA VAL A 829 1.594 -12.169 4.286 1.00 0.00 C ATOM 1265 C VAL A 829 2.934 -12.085 3.538 1.00 0.00 C ATOM 1266 O VAL A 829 3.081 -12.631 2.442 1.00 0.00 O ATOM 1267 CB VAL A 829 1.764 -12.937 5.625 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.519 -12.797 6.513 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.093 -14.428 5.436 1.00 0.00 C ATOM 0 H VAL A 829 0.811 -13.634 3.012 1.00 0.00 H new ATOM 0 HA VAL A 829 1.272 -11.157 4.532 1.00 0.00 H new ATOM 0 HB VAL A 829 2.619 -12.473 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.671 -13.346 7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.349 -11.744 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.348 -13.201 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.198 -14.904 6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.288 -14.911 4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.026 -14.527 4.881 1.00 0.00 H new ATOM 1279 N GLY A 830 3.908 -11.377 4.121 1.00 0.00 N ATOM 1280 CA GLY A 830 5.212 -11.090 3.507 1.00 0.00 C ATOM 1281 C GLY A 830 6.224 -12.235 3.559 1.00 0.00 C ATOM 1282 O GLY A 830 5.909 -13.369 3.928 1.00 0.00 O ATOM 0 H GLY A 830 3.810 -10.978 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.052 -10.815 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.645 -10.221 4.002 1.00 0.00 H new ATOM 1286 N MET A 831 7.453 -11.924 3.147 1.00 0.00 N ATOM 1287 CA MET A 831 8.521 -12.899 2.921 1.00 0.00 C ATOM 1288 C MET A 831 9.158 -13.364 4.238 1.00 0.00 C ATOM 1289 O MET A 831 9.695 -12.572 5.016 1.00 0.00 O ATOM 1290 CB MET A 831 9.551 -12.290 1.961 1.00 0.00 C ATOM 1291 CG MET A 831 10.706 -13.244 1.633 1.00 0.00 C ATOM 1292 SD MET A 831 11.823 -12.603 0.356 1.00 0.00 S ATOM 1293 CE MET A 831 13.141 -13.833 0.495 1.00 0.00 C ATOM 0 H MET A 831 7.741 -10.964 2.956 1.00 0.00 H new ATOM 0 HA MET A 831 8.100 -13.795 2.465 1.00 0.00 H new ATOM 0 HB2 MET A 831 9.051 -12.003 1.036 1.00 0.00 H new ATOM 0 HB3 MET A 831 9.955 -11.378 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 831 11.277 -13.439 2.541 1.00 0.00 H new ATOM 0 HG3 MET A 831 10.297 -14.199 1.303 1.00 0.00 H new ATOM 0 HE1 MET A 831 13.930 -13.604 -0.222 1.00 0.00 H new ATOM 0 HE2 MET A 831 13.551 -13.814 1.505 1.00 0.00 H new ATOM 0 HE3 MET A 831 12.738 -14.824 0.286 1.00 0.00 H new ATOM 1303 N LEU A 832 9.118 -14.680 4.437 1.00 0.00 N ATOM 1304 CA LEU A 832 9.841 -15.452 5.446 1.00 0.00 C ATOM 1305 C LEU A 832 11.367 -15.343 5.281 1.00 0.00 C ATOM 1306 O LEU A 832 11.890 -15.367 4.164 1.00 0.00 O ATOM 1307 CB LEU A 832 9.340 -16.914 5.395 1.00 0.00 C ATOM 1308 CG LEU A 832 9.671 -17.752 4.130 1.00 0.00 C ATOM 1309 CD1 LEU A 832 9.040 -19.146 4.297 1.00 0.00 C ATOM 1310 CD2 LEU A 832 9.175 -17.153 2.800 1.00 0.00 C ATOM 0 H LEU A 832 8.535 -15.280 3.853 1.00 0.00 H new ATOM 0 HA LEU A 832 9.635 -15.040 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 832 9.748 -17.438 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 832 8.257 -16.901 5.513 1.00 0.00 H new ATOM 0 HG LEU A 832 10.759 -17.778 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 832 9.260 -19.753 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 832 9.452 -19.628 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 832 7.960 -19.046 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 832 9.455 -17.811 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 832 8.090 -17.050 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 832 9.628 -16.173 2.651 1.00 0.00 H new ATOM 1322 N LYS A 833 12.087 -15.267 6.406 1.00 0.00 N ATOM 1323 CA LYS A 833 13.565 -15.200 6.449 1.00 0.00 C ATOM 1324 C LYS A 833 14.259 -16.580 6.549 1.00 0.00 C ATOM 1325 O LYS A 833 15.486 -16.680 6.497 1.00 0.00 O ATOM 1326 CB LYS A 833 13.987 -14.233 7.568 1.00 0.00 C ATOM 1327 CG LYS A 833 13.650 -14.729 8.983 1.00 0.00 C ATOM 1328 CD LYS A 833 14.096 -13.716 10.043 1.00 0.00 C ATOM 1329 CE LYS A 833 13.751 -14.241 11.442 1.00 0.00 C ATOM 1330 NZ LYS A 833 14.184 -13.305 12.508 1.00 0.00 N ATOM 0 H LYS A 833 11.658 -15.250 7.331 1.00 0.00 H new ATOM 0 HA LYS A 833 13.911 -14.813 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 833 15.061 -14.062 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 833 13.500 -13.271 7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 833 12.576 -14.899 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 833 14.139 -15.687 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 833 15.169 -13.542 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 833 13.605 -12.758 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 833 12.675 -14.401 11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 833 14.228 -15.209 11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 13.932 -13.697 13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 15.214 -13.172 12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 13.710 -12.388 12.379 1.00 0.00 H new ATOM 1344 N GLU A 834 13.456 -17.633 6.692 1.00 0.00 N ATOM 1345 CA GLU A 834 13.875 -19.037 6.766 1.00 0.00 C ATOM 1346 C GLU A 834 13.834 -19.706 5.375 1.00 0.00 C ATOM 1347 O GLU A 834 13.567 -19.056 4.357 1.00 0.00 O ATOM 1348 CB GLU A 834 12.976 -19.778 7.780 1.00 0.00 C ATOM 1349 CG GLU A 834 13.068 -19.232 9.215 1.00 0.00 C ATOM 1350 CD GLU A 834 14.482 -19.372 9.807 1.00 0.00 C ATOM 1351 OE1 GLU A 834 14.954 -20.515 10.007 1.00 0.00 O ATOM 1352 OE2 GLU A 834 15.128 -18.334 10.082 1.00 0.00 O ATOM 0 H GLU A 834 12.444 -17.528 6.763 1.00 0.00 H new ATOM 0 HA GLU A 834 14.909 -19.088 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 834 11.941 -19.716 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 834 13.247 -20.834 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 834 12.777 -18.181 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 834 12.358 -19.763 9.849 1.00 0.00 H new ATOM 1359 N LYS A 835 14.086 -21.019 5.314 1.00 0.00 N ATOM 1360 CA LYS A 835 13.947 -21.829 4.089 1.00 0.00 C ATOM 1361 C LYS A 835 12.497 -21.832 3.539 1.00 0.00 C ATOM 1362 O LYS A 835 11.530 -21.596 4.276 1.00 0.00 O ATOM 1363 CB LYS A 835 14.457 -23.262 4.352 1.00 0.00 C ATOM 1364 CG LYS A 835 15.979 -23.450 4.222 1.00 0.00 C ATOM 1365 CD LYS A 835 16.811 -22.681 5.259 1.00 0.00 C ATOM 1366 CE LYS A 835 18.289 -23.063 5.118 1.00 0.00 C ATOM 1367 NZ LYS A 835 19.141 -22.353 6.108 1.00 0.00 N ATOM 0 H LYS A 835 14.396 -21.559 6.122 1.00 0.00 H new ATOM 0 HA LYS A 835 14.560 -21.371 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 835 14.155 -23.559 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 835 13.963 -23.940 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 835 16.209 -24.512 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 835 16.286 -23.136 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 835 16.687 -21.608 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 835 16.460 -22.911 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 835 18.400 -24.139 5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 835 18.630 -22.828 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 20.133 -22.638 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 19.055 -21.326 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 18.832 -22.597 7.070 1.00 0.00 H new ATOM 1381 N THR A 836 12.349 -22.123 2.238 1.00 0.00 N ATOM 1382 CA THR A 836 11.078 -22.106 1.475 1.00 0.00 C ATOM 1383 C THR A 836 10.055 -23.151 1.923 1.00 0.00 C ATOM 1384 O THR A 836 8.864 -22.962 1.667 1.00 0.00 O ATOM 1385 CB THR A 836 11.352 -22.283 -0.023 1.00 0.00 C ATOM 1386 OG1 THR A 836 12.178 -23.417 -0.208 1.00 0.00 O ATOM 1387 CG2 THR A 836 12.049 -21.052 -0.602 1.00 0.00 C ATOM 0 H THR A 836 13.144 -22.389 1.657 1.00 0.00 H new ATOM 0 HA THR A 836 10.636 -21.131 1.679 1.00 0.00 H new ATOM 0 HB THR A 836 10.401 -22.415 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 836 12.357 -23.539 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 836 12.232 -21.204 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 836 11.415 -20.176 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 836 12.998 -20.897 -0.089 1.00 0.00 H new ATOM 1395 N GLY A 837 10.486 -24.215 2.614 1.00 0.00 N ATOM 1396 CA GLY A 837 9.611 -25.193 3.279 1.00 0.00 C ATOM 1397 C GLY A 837 9.456 -24.863 4.773 1.00 0.00 C ATOM 1398 O GLY A 837 10.400 -25.129 5.525 1.00 0.00 O ATOM 0 H GLY A 837 11.477 -24.426 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 837 8.632 -25.196 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 837 10.025 -26.195 3.165 1.00 0.00 H new ATOM 1402 N PRO A 838 8.309 -24.321 5.230 1.00 0.00 N ATOM 1403 CA PRO A 838 8.066 -23.996 6.632 1.00 0.00 C ATOM 1404 C PRO A 838 7.738 -25.243 7.455 1.00 0.00 C ATOM 1405 O PRO A 838 7.290 -26.264 6.924 1.00 0.00 O ATOM 1406 CB PRO A 838 6.895 -23.004 6.622 1.00 0.00 C ATOM 1407 CG PRO A 838 6.095 -23.428 5.392 1.00 0.00 C ATOM 1408 CD PRO A 838 7.185 -23.863 4.417 1.00 0.00 C ATOM 0 HA PRO A 838 8.952 -23.568 7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 838 6.301 -23.072 7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 838 7.240 -21.973 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 838 5.406 -24.241 5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 838 5.499 -22.607 4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 838 6.827 -24.660 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 838 7.483 -23.035 3.774 1.00 0.00 H new ATOM 1416 N LYS A 839 7.927 -25.162 8.777 1.00 0.00 N ATOM 1417 CA LYS A 839 7.590 -26.249 9.716 1.00 0.00 C ATOM 1418 C LYS A 839 6.074 -26.349 10.006 1.00 0.00 C ATOM 1419 O LYS A 839 5.588 -27.416 10.390 1.00 0.00 O ATOM 1420 CB LYS A 839 8.390 -26.068 11.016 1.00 0.00 C ATOM 1421 CG LYS A 839 9.909 -26.177 10.791 1.00 0.00 C ATOM 1422 CD LYS A 839 10.731 -26.031 12.087 1.00 0.00 C ATOM 1423 CE LYS A 839 10.474 -27.131 13.134 1.00 0.00 C ATOM 1424 NZ LYS A 839 10.920 -28.475 12.678 1.00 0.00 N ATOM 0 H LYS A 839 8.320 -24.338 9.232 1.00 0.00 H new ATOM 0 HA LYS A 839 7.866 -27.191 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 839 8.159 -25.095 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 839 8.078 -26.821 11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 839 10.133 -27.141 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 839 10.220 -25.409 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 839 11.791 -26.030 11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 839 10.510 -25.062 12.535 1.00 0.00 H new ATOM 0 HE2 LYS A 839 10.992 -26.875 14.058 1.00 0.00 H new ATOM 0 HE3 LYS A 839 9.409 -27.165 13.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 10.723 -29.176 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 10.408 -28.735 11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 11.941 -28.454 12.483 1.00 0.00 H new ATOM 1438 N LEU A 840 5.327 -25.255 9.814 1.00 0.00 N ATOM 1439 CA LEU A 840 3.863 -25.190 9.885 1.00 0.00 C ATOM 1440 C LEU A 840 3.230 -25.534 8.519 1.00 0.00 C ATOM 1441 O LEU A 840 3.906 -25.534 7.488 1.00 0.00 O ATOM 1442 CB LEU A 840 3.434 -23.792 10.384 1.00 0.00 C ATOM 1443 CG LEU A 840 3.902 -23.439 11.815 1.00 0.00 C ATOM 1444 CD1 LEU A 840 3.494 -21.999 12.153 1.00 0.00 C ATOM 1445 CD2 LEU A 840 3.320 -24.390 12.873 1.00 0.00 C ATOM 0 H LEU A 840 5.746 -24.351 9.595 1.00 0.00 H new ATOM 0 HA LEU A 840 3.501 -25.933 10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 840 3.822 -23.042 9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 840 2.347 -23.727 10.347 1.00 0.00 H new ATOM 0 HG LEU A 840 4.987 -23.544 11.834 1.00 0.00 H new ATOM 0 HD11 LEU A 840 3.826 -21.754 13.162 1.00 0.00 H new ATOM 0 HD12 LEU A 840 3.956 -21.314 11.443 1.00 0.00 H new ATOM 0 HD13 LEU A 840 2.410 -21.905 12.095 1.00 0.00 H new ATOM 0 HD21 LEU A 840 3.679 -24.099 13.860 1.00 0.00 H new ATOM 0 HD22 LEU A 840 2.232 -24.335 12.852 1.00 0.00 H new ATOM 0 HD23 LEU A 840 3.636 -25.411 12.658 1.00 0.00 H new ATOM 1457 N GLY A 841 1.923 -25.814 8.516 1.00 0.00 N ATOM 1458 CA GLY A 841 1.160 -26.214 7.329 1.00 0.00 C ATOM 1459 C GLY A 841 1.292 -27.705 6.994 1.00 0.00 C ATOM 1460 O GLY A 841 1.884 -28.489 7.741 1.00 0.00 O ATOM 0 H GLY A 841 1.352 -25.768 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 841 0.108 -25.976 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 841 1.496 -25.626 6.475 1.00 0.00 H new ATOM 1464 N GLY A 842 0.701 -28.101 5.863 1.00 0.00 N ATOM 1465 CA GLY A 842 0.672 -29.481 5.354 1.00 0.00 C ATOM 1466 C GLY A 842 -0.088 -29.622 4.034 1.00 0.00 C ATOM 1467 O GLY A 842 0.267 -30.532 3.249 1.00 0.00 O ATOM 1468 OXT GLY A 842 -1.021 -28.824 3.793 1.00 0.00 O ATOM 0 H GLY A 842 0.211 -27.448 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 842 1.695 -29.832 5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 842 0.212 -30.127 6.101 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.371 -35.763 -10.958 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.382 -22.355 11.114 1.00 0.00 ZN