USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 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 816 LYS NZ :NH3+ -173:sc= 1.24 (180deg=0.964) USER MOD Set 1.2: A 819 SER OG : rot 180:sc= 0.242 USER MOD Set 2.1: A 779 LYS NZ :NH3+ 149:sc= 1.73 (180deg=-0.908!) USER MOD Set 2.2: A 781 THR OG1 : rot -170:sc= 0.494 USER MOD Set 3.1: A 767 THR OG1 : rot 77:sc= 0.958 USER MOD Set 3.2: A 774 THR OG1 : rot -72:sc= 0.503 USER MOD Set 3.3: A 792 HIS : no HE2:sc= 0.0761 K(o=1.5,f=0.34) USER MOD Set 4.1: A 763 CYS SG : rot -160:sc= -0.0366 USER MOD Set 4.2: A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 GLY N :NH3+ -123:sc= 0.0877 (180deg=0) USER MOD Single : A 755 MET CE :methyl 179:sc= 0 (180deg=-0.00177) 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 USER MOD Single : A 761 GLN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot -160:sc= 0.147 USER MOD Single : A 772 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 TYR OH : rot -138:sc= 0.00912 USER MOD Single : A 775 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : A 790 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.00049) USER MOD Single : A 793 ASN : amide:sc= 0.0149 X(o=0.015,f=0) USER MOD Single : A 800 LYS NZ :NH3+ -175:sc= 0.405 (180deg=0.351) USER MOD Single : A 805 ASN : amide:sc= 1.4 K(o=1.4,f=-1.7) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 809 SER OG : rot 180:sc= 0.317 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 820 THR OG1 : 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 170:sc= 0 (180deg=-0.0662) USER MOD Single : A 833 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 835 LYS NZ :NH3+ -168:sc= 0.494 (180deg=0.417) USER MOD Single : A 836 THR OG1 : rot -38:sc= 0.979 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 6.952 -6.726 -17.006 1.00 0.00 N ATOM 2 CA GLY A -4 7.911 -7.858 -17.010 1.00 0.00 C ATOM 3 C GLY A -4 9.132 -7.598 -16.125 1.00 0.00 C ATOM 4 O GLY A -4 9.164 -6.586 -15.411 1.00 0.00 O ATOM 0 H1 GLY A -4 6.017 -7.064 -16.700 1.00 0.00 H new ATOM 0 H2 GLY A -4 7.286 -5.991 -16.351 1.00 0.00 H new ATOM 0 H3 GLY A -4 6.880 -6.329 -17.964 1.00 0.00 H new ATOM 0 HA2 GLY A -4 7.404 -8.760 -16.667 1.00 0.00 H new ATOM 0 HA3 GLY A -4 8.241 -8.046 -18.032 1.00 0.00 H new ATOM 10 N PRO A -3 10.152 -8.486 -16.168 1.00 0.00 N ATOM 11 CA PRO A -3 11.375 -8.398 -15.358 1.00 0.00 C ATOM 12 C PRO A -3 12.130 -7.067 -15.466 1.00 0.00 C ATOM 13 O PRO A -3 12.761 -6.643 -14.497 1.00 0.00 O ATOM 14 CB PRO A -3 12.264 -9.558 -15.833 1.00 0.00 C ATOM 15 CG PRO A -3 11.260 -10.589 -16.336 1.00 0.00 C ATOM 16 CD PRO A -3 10.165 -9.722 -16.952 1.00 0.00 C ATOM 0 HA PRO A -3 11.105 -8.458 -14.304 1.00 0.00 H new ATOM 0 HB2 PRO A -3 12.947 -9.244 -16.622 1.00 0.00 H new ATOM 0 HB3 PRO A -3 12.875 -9.954 -15.022 1.00 0.00 H new ATOM 0 HG2 PRO A -3 11.704 -11.262 -17.070 1.00 0.00 H new ATOM 0 HG3 PRO A -3 10.877 -11.209 -15.526 1.00 0.00 H new ATOM 0 HD2 PRO A -3 10.372 -9.517 -18.002 1.00 0.00 H new ATOM 0 HD3 PRO A -3 9.198 -10.223 -16.909 1.00 0.00 H new ATOM 24 N MET A -2 12.046 -6.392 -16.618 1.00 0.00 N ATOM 25 CA MET A -2 12.738 -5.133 -16.922 1.00 0.00 C ATOM 26 C MET A -2 12.361 -3.977 -15.984 1.00 0.00 C ATOM 27 O MET A -2 13.162 -3.058 -15.784 1.00 0.00 O ATOM 28 CB MET A -2 12.447 -4.725 -18.384 1.00 0.00 C ATOM 29 CG MET A -2 12.697 -5.836 -19.420 1.00 0.00 C ATOM 30 SD MET A -2 11.340 -7.029 -19.612 1.00 0.00 S ATOM 31 CE MET A -2 12.109 -8.135 -20.818 1.00 0.00 C ATOM 0 H MET A -2 11.472 -6.720 -17.395 1.00 0.00 H new ATOM 0 HA MET A -2 13.801 -5.320 -16.771 1.00 0.00 H new ATOM 0 HB2 MET A -2 11.408 -4.404 -18.458 1.00 0.00 H new ATOM 0 HB3 MET A -2 13.065 -3.864 -18.637 1.00 0.00 H new ATOM 0 HG2 MET A -2 12.892 -5.373 -20.387 1.00 0.00 H new ATOM 0 HG3 MET A -2 13.600 -6.378 -19.138 1.00 0.00 H new ATOM 0 HE1 MET A -2 11.419 -8.942 -21.063 1.00 0.00 H new ATOM 0 HE2 MET A -2 12.350 -7.576 -21.722 1.00 0.00 H new ATOM 0 HE3 MET A -2 13.022 -8.554 -20.396 1.00 0.00 H new ATOM 41 N GLY A -1 11.152 -4.022 -15.399 1.00 0.00 N ATOM 42 CA GLY A -1 10.625 -3.054 -14.423 1.00 0.00 C ATOM 43 C GLY A -1 10.375 -3.625 -13.023 1.00 0.00 C ATOM 44 O GLY A -1 9.809 -2.937 -12.174 1.00 0.00 O ATOM 0 H GLY A -1 10.486 -4.767 -15.603 1.00 0.00 H new ATOM 0 HA2 GLY A -1 11.326 -2.223 -14.341 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.690 -2.646 -14.806 1.00 0.00 H new ATOM 48 N MET A 755 10.760 -4.883 -12.772 1.00 0.00 N ATOM 49 CA MET A 755 10.481 -5.616 -11.526 1.00 0.00 C ATOM 50 C MET A 755 11.392 -5.183 -10.357 1.00 0.00 C ATOM 51 O MET A 755 12.474 -4.634 -10.563 1.00 0.00 O ATOM 52 CB MET A 755 10.555 -7.128 -11.816 1.00 0.00 C ATOM 53 CG MET A 755 10.063 -8.027 -10.670 1.00 0.00 C ATOM 54 SD MET A 755 8.437 -7.645 -9.952 1.00 0.00 S ATOM 55 CE MET A 755 7.390 -7.889 -11.406 1.00 0.00 C ATOM 0 H MET A 755 11.289 -5.436 -13.447 1.00 0.00 H new ATOM 0 HA MET A 755 9.474 -5.369 -11.189 1.00 0.00 H new ATOM 0 HB2 MET A 755 9.965 -7.343 -12.707 1.00 0.00 H new ATOM 0 HB3 MET A 755 11.588 -7.390 -12.047 1.00 0.00 H new ATOM 0 HG2 MET A 755 10.039 -9.054 -11.034 1.00 0.00 H new ATOM 0 HG3 MET A 755 10.803 -7.989 -9.870 1.00 0.00 H new ATOM 0 HE1 MET A 755 6.348 -7.712 -11.138 1.00 0.00 H new ATOM 0 HE2 MET A 755 7.687 -7.191 -12.189 1.00 0.00 H new ATOM 0 HE3 MET A 755 7.503 -8.911 -11.768 1.00 0.00 H new ATOM 65 N GLN A 756 10.940 -5.437 -9.125 1.00 0.00 N ATOM 66 CA GLN A 756 11.625 -5.105 -7.869 1.00 0.00 C ATOM 67 C GLN A 756 11.691 -6.336 -6.938 1.00 0.00 C ATOM 68 O GLN A 756 11.189 -7.413 -7.265 1.00 0.00 O ATOM 69 CB GLN A 756 10.899 -3.927 -7.188 1.00 0.00 C ATOM 70 CG GLN A 756 10.912 -2.629 -8.019 1.00 0.00 C ATOM 71 CD GLN A 756 10.257 -1.461 -7.274 1.00 0.00 C ATOM 72 OE1 GLN A 756 9.101 -1.116 -7.496 1.00 0.00 O ATOM 73 NE2 GLN A 756 10.960 -0.809 -6.366 1.00 0.00 N ATOM 0 H GLN A 756 10.045 -5.901 -8.968 1.00 0.00 H new ATOM 0 HA GLN A 756 12.651 -4.808 -8.086 1.00 0.00 H new ATOM 0 HB2 GLN A 756 9.865 -4.213 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 756 11.365 -3.734 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 756 11.941 -2.369 -8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 756 10.389 -2.797 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 756 11.922 -1.085 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 756 10.541 -0.029 -5.859 1.00 0.00 H new ATOM 82 N SER A 757 12.318 -6.201 -5.766 1.00 0.00 N ATOM 83 CA SER A 757 12.511 -7.301 -4.802 1.00 0.00 C ATOM 84 C SER A 757 11.270 -7.521 -3.909 1.00 0.00 C ATOM 85 O SER A 757 11.262 -7.212 -2.712 1.00 0.00 O ATOM 86 CB SER A 757 13.772 -7.043 -3.958 1.00 0.00 C ATOM 87 OG SER A 757 14.935 -6.918 -4.777 1.00 0.00 O ATOM 0 H SER A 757 12.713 -5.315 -5.451 1.00 0.00 H new ATOM 0 HA SER A 757 12.648 -8.223 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 757 13.639 -6.133 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 757 13.911 -7.860 -3.250 1.00 0.00 H new ATOM 0 HG SER A 757 15.718 -6.753 -4.211 1.00 0.00 H new ATOM 93 N ILE A 758 10.191 -8.035 -4.506 1.00 0.00 N ATOM 94 CA ILE A 758 8.900 -8.301 -3.844 1.00 0.00 C ATOM 95 C ILE A 758 8.980 -9.487 -2.853 1.00 0.00 C ATOM 96 O ILE A 758 9.745 -10.432 -3.059 1.00 0.00 O ATOM 97 CB ILE A 758 7.794 -8.523 -4.916 1.00 0.00 C ATOM 98 CG1 ILE A 758 7.811 -7.495 -6.073 1.00 0.00 C ATOM 99 CG2 ILE A 758 6.388 -8.542 -4.288 1.00 0.00 C ATOM 100 CD1 ILE A 758 7.699 -6.017 -5.662 1.00 0.00 C ATOM 0 H ILE A 758 10.186 -8.287 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 758 8.641 -7.427 -3.247 1.00 0.00 H new ATOM 0 HB ILE A 758 8.029 -9.497 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 758 8.735 -7.626 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.989 -7.727 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 758 5.643 -8.699 -5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 758 6.326 -9.350 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 758 6.198 -7.590 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 758 7.722 -5.389 -6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 758 6.762 -5.858 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 758 8.534 -5.756 -5.013 1.00 0.00 H new ATOM 112 N ARG A 759 8.154 -9.479 -1.797 1.00 0.00 N ATOM 113 CA ARG A 759 8.033 -10.538 -0.771 1.00 0.00 C ATOM 114 C ARG A 759 7.296 -11.826 -1.219 1.00 0.00 C ATOM 115 O ARG A 759 6.814 -12.596 -0.388 1.00 0.00 O ATOM 116 CB ARG A 759 7.437 -9.938 0.516 1.00 0.00 C ATOM 117 CG ARG A 759 5.961 -9.514 0.345 1.00 0.00 C ATOM 118 CD ARG A 759 5.442 -8.653 1.503 1.00 0.00 C ATOM 119 NE ARG A 759 6.044 -7.301 1.498 1.00 0.00 N ATOM 120 CZ ARG A 759 6.900 -6.785 2.381 1.00 0.00 C ATOM 121 NH1 ARG A 759 7.347 -7.460 3.421 1.00 0.00 N ATOM 122 NH2 ARG A 759 7.333 -5.558 2.213 1.00 0.00 N ATOM 0 H ARG A 759 7.520 -8.699 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 759 9.045 -10.894 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.510 -10.669 1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 759 8.027 -9.072 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.855 -8.960 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.341 -10.406 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 759 4.358 -8.568 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.664 -9.146 2.450 1.00 0.00 H new ATOM 0 HE ARG A 759 5.772 -6.691 0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 759 7.039 -8.420 3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 759 8.001 -7.023 4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 759 7.015 -5.010 1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 759 7.988 -5.152 2.882 1.00 0.00 H new ATOM 136 N GLU A 760 7.179 -12.057 -2.523 1.00 0.00 N ATOM 137 CA GLU A 760 6.825 -13.332 -3.148 1.00 0.00 C ATOM 138 C GLU A 760 7.848 -13.603 -4.260 1.00 0.00 C ATOM 139 O GLU A 760 8.210 -12.696 -5.012 1.00 0.00 O ATOM 140 CB GLU A 760 5.382 -13.362 -3.670 1.00 0.00 C ATOM 141 CG GLU A 760 4.923 -12.097 -4.405 1.00 0.00 C ATOM 142 CD GLU A 760 3.486 -12.259 -4.899 1.00 0.00 C ATOM 143 OE1 GLU A 760 2.554 -12.158 -4.070 1.00 0.00 O ATOM 144 OE2 GLU A 760 3.285 -12.484 -6.114 1.00 0.00 O ATOM 0 H GLU A 760 7.337 -11.321 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 760 6.862 -14.124 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 760 5.275 -14.212 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 760 4.712 -13.536 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 760 4.990 -11.237 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 760 5.584 -11.899 -5.249 1.00 0.00 H new ATOM 151 N GLN A 761 8.379 -14.828 -4.304 1.00 0.00 N ATOM 152 CA GLN A 761 9.671 -15.124 -4.942 1.00 0.00 C ATOM 153 C GLN A 761 9.547 -16.129 -6.096 1.00 0.00 C ATOM 154 O GLN A 761 8.786 -17.099 -6.022 1.00 0.00 O ATOM 155 CB GLN A 761 10.664 -15.607 -3.868 1.00 0.00 C ATOM 156 CG GLN A 761 10.296 -16.963 -3.237 1.00 0.00 C ATOM 157 CD GLN A 761 11.125 -17.277 -1.994 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.069 -18.062 -2.022 1.00 0.00 O ATOM 159 NE2 GLN A 761 10.812 -16.690 -0.857 1.00 0.00 N ATOM 0 H GLN A 761 7.926 -15.647 -3.898 1.00 0.00 H new ATOM 0 HA GLN A 761 10.047 -14.207 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.656 -15.683 -4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.725 -14.856 -3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.238 -16.962 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.439 -17.753 -3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.030 -16.036 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.351 -16.890 -0.015 1.00 0.00 H new ATOM 168 N SER A 762 10.326 -15.925 -7.159 1.00 0.00 N ATOM 169 CA SER A 762 10.359 -16.805 -8.333 1.00 0.00 C ATOM 170 C SER A 762 10.841 -18.228 -7.987 1.00 0.00 C ATOM 171 O SER A 762 11.791 -18.412 -7.218 1.00 0.00 O ATOM 172 CB SER A 762 11.253 -16.211 -9.429 1.00 0.00 C ATOM 173 OG SER A 762 10.841 -14.891 -9.778 1.00 0.00 O ATOM 0 H SER A 762 10.963 -15.132 -7.232 1.00 0.00 H new ATOM 0 HA SER A 762 9.334 -16.880 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 762 12.288 -16.192 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 762 11.221 -16.849 -10.312 1.00 0.00 H new ATOM 0 HG SER A 762 11.430 -14.538 -10.477 1.00 0.00 H new ATOM 179 N CYS A 763 10.206 -19.236 -8.593 1.00 0.00 N ATOM 180 CA CYS A 763 10.413 -20.653 -8.289 1.00 0.00 C ATOM 181 C CYS A 763 10.181 -21.529 -9.536 1.00 0.00 C ATOM 182 O CYS A 763 9.567 -21.074 -10.511 1.00 0.00 O ATOM 183 CB CYS A 763 9.468 -21.000 -7.117 1.00 0.00 C ATOM 184 SG CYS A 763 9.963 -22.553 -6.306 1.00 0.00 S ATOM 0 H CYS A 763 9.516 -19.083 -9.328 1.00 0.00 H new ATOM 0 HA CYS A 763 11.443 -20.853 -7.995 1.00 0.00 H new ATOM 0 HB2 CYS A 763 9.475 -20.189 -6.389 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.446 -21.089 -7.485 1.00 0.00 H new ATOM 0 HG CYS A 763 8.958 -23.032 -5.635 1.00 0.00 H new ATOM 190 N ARG A 764 10.649 -22.786 -9.521 1.00 0.00 N ATOM 191 CA ARG A 764 10.313 -23.802 -10.527 1.00 0.00 C ATOM 192 C ARG A 764 9.071 -24.593 -10.083 1.00 0.00 C ATOM 193 O ARG A 764 8.954 -24.996 -8.924 1.00 0.00 O ATOM 194 CB ARG A 764 11.533 -24.693 -10.795 1.00 0.00 C ATOM 195 CG ARG A 764 11.284 -25.672 -11.956 1.00 0.00 C ATOM 196 CD ARG A 764 12.567 -26.349 -12.448 1.00 0.00 C ATOM 197 NE ARG A 764 13.204 -27.185 -11.406 1.00 0.00 N ATOM 198 CZ ARG A 764 14.432 -27.689 -11.454 1.00 0.00 C ATOM 199 NH1 ARG A 764 15.223 -27.514 -12.494 1.00 0.00 N ATOM 200 NH2 ARG A 764 14.885 -28.395 -10.441 1.00 0.00 N ATOM 0 H ARG A 764 11.281 -23.129 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 764 10.057 -23.325 -11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.396 -24.068 -11.026 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.778 -25.254 -9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 764 10.576 -26.436 -11.635 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.821 -25.136 -12.784 1.00 0.00 H new ATOM 0 HD2 ARG A 764 12.337 -26.968 -13.315 1.00 0.00 H new ATOM 0 HD3 ARG A 764 13.272 -25.586 -12.778 1.00 0.00 H new ATOM 0 HE ARG A 764 12.650 -27.393 -10.575 1.00 0.00 H new ATOM 0 HH11 ARG A 764 14.898 -26.976 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 764 16.160 -27.916 -12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 764 14.294 -28.553 -9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 764 15.827 -28.785 -10.472 1.00 0.00 H new ATOM 214 N VAL A 765 8.138 -24.797 -11.006 1.00 0.00 N ATOM 215 CA VAL A 765 6.763 -25.283 -10.783 1.00 0.00 C ATOM 216 C VAL A 765 6.350 -26.259 -11.897 1.00 0.00 C ATOM 217 O VAL A 765 7.059 -26.405 -12.891 1.00 0.00 O ATOM 218 CB VAL A 765 5.767 -24.097 -10.691 1.00 0.00 C ATOM 219 CG1 VAL A 765 6.019 -23.228 -9.453 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.794 -23.194 -11.929 1.00 0.00 C ATOM 0 H VAL A 765 8.323 -24.619 -11.993 1.00 0.00 H new ATOM 0 HA VAL A 765 6.738 -25.817 -9.833 1.00 0.00 H new ATOM 0 HB VAL A 765 4.785 -24.564 -10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.299 -22.410 -9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.909 -23.835 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 765 7.029 -22.821 -9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 765 5.076 -22.384 -11.804 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.793 -22.777 -12.054 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.532 -23.778 -12.811 1.00 0.00 H new ATOM 230 N VAL A 766 5.212 -26.937 -11.729 1.00 0.00 N ATOM 231 CA VAL A 766 4.720 -27.996 -12.634 1.00 0.00 C ATOM 232 C VAL A 766 3.251 -27.776 -12.993 1.00 0.00 C ATOM 233 O VAL A 766 2.455 -27.431 -12.122 1.00 0.00 O ATOM 234 CB VAL A 766 4.928 -29.402 -12.010 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.313 -29.563 -10.610 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.403 -30.554 -12.880 1.00 0.00 C ATOM 0 H VAL A 766 4.586 -26.765 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 766 5.303 -27.943 -13.554 1.00 0.00 H new ATOM 0 HB VAL A 766 6.014 -29.465 -11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.501 -30.572 -10.244 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.763 -28.840 -9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.238 -29.391 -10.663 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.585 -31.503 -12.376 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.332 -30.429 -13.042 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.918 -30.549 -13.840 1.00 0.00 H new ATOM 246 N THR A 767 2.883 -28.061 -14.246 1.00 0.00 N ATOM 247 CA THR A 767 1.492 -28.278 -14.668 1.00 0.00 C ATOM 248 C THR A 767 1.318 -29.743 -15.038 1.00 0.00 C ATOM 249 O THR A 767 1.945 -30.201 -15.993 1.00 0.00 O ATOM 250 CB THR A 767 1.114 -27.352 -15.830 1.00 0.00 C ATOM 251 OG1 THR A 767 1.138 -26.024 -15.359 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.303 -27.616 -16.357 1.00 0.00 C ATOM 0 H THR A 767 3.553 -28.149 -15.010 1.00 0.00 H new ATOM 0 HA THR A 767 0.818 -28.035 -13.846 1.00 0.00 H new ATOM 0 HB THR A 767 1.825 -27.531 -16.637 1.00 0.00 H new ATOM 0 HG1 THR A 767 2.067 -25.721 -15.283 1.00 0.00 H new ATOM 0 HG21 THR A 767 -0.519 -26.933 -17.179 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.374 -28.644 -16.712 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.025 -27.459 -15.555 1.00 0.00 H new ATOM 260 N CYS A 768 0.460 -30.456 -14.300 1.00 0.00 N ATOM 261 CA CYS A 768 -0.001 -31.800 -14.661 1.00 0.00 C ATOM 262 C CYS A 768 -1.023 -31.662 -15.804 1.00 0.00 C ATOM 263 O CYS A 768 -2.073 -31.035 -15.657 1.00 0.00 O ATOM 264 CB CYS A 768 -0.587 -32.502 -13.416 1.00 0.00 C ATOM 265 SG CYS A 768 -0.957 -34.262 -13.773 1.00 0.00 S ATOM 0 H CYS A 768 0.062 -30.112 -13.426 1.00 0.00 H new ATOM 0 HA CYS A 768 0.822 -32.423 -15.011 1.00 0.00 H new ATOM 0 HB2 CYS A 768 0.120 -32.435 -12.589 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.497 -31.992 -13.100 1.00 0.00 H new ATOM 270 N LYS A 769 -0.715 -32.236 -16.965 1.00 0.00 N ATOM 271 CA LYS A 769 -1.580 -32.216 -18.155 1.00 0.00 C ATOM 272 C LYS A 769 -2.734 -33.234 -18.064 1.00 0.00 C ATOM 273 O LYS A 769 -3.749 -33.073 -18.755 1.00 0.00 O ATOM 274 CB LYS A 769 -0.716 -32.461 -19.406 1.00 0.00 C ATOM 275 CG LYS A 769 0.371 -31.391 -19.656 1.00 0.00 C ATOM 276 CD LYS A 769 -0.206 -29.993 -19.911 1.00 0.00 C ATOM 277 CE LYS A 769 0.917 -29.020 -20.289 1.00 0.00 C ATOM 278 NZ LYS A 769 0.378 -27.679 -20.645 1.00 0.00 N ATOM 0 H LYS A 769 0.159 -32.740 -17.114 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.051 -31.235 -18.220 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -0.235 -33.435 -19.314 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -1.368 -32.509 -20.278 1.00 0.00 H new ATOM 0 HG2 LYS A 769 1.037 -31.351 -18.794 1.00 0.00 H new ATOM 0 HG3 LYS A 769 0.976 -31.689 -20.512 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -0.945 -30.036 -20.711 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -0.722 -29.636 -19.020 1.00 0.00 H new ATOM 0 HE2 LYS A 769 1.613 -28.924 -19.456 1.00 0.00 H new ATOM 0 HE3 LYS A 769 1.481 -29.422 -21.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 1.163 -27.045 -20.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -0.267 -27.768 -21.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.139 -27.286 -19.833 1.00 0.00 H new ATOM 292 N THR A 770 -2.599 -34.251 -17.203 1.00 0.00 N ATOM 293 CA THR A 770 -3.622 -35.279 -16.954 1.00 0.00 C ATOM 294 C THR A 770 -4.749 -34.751 -16.063 1.00 0.00 C ATOM 295 O THR A 770 -5.916 -34.982 -16.378 1.00 0.00 O ATOM 296 CB THR A 770 -2.961 -36.537 -16.371 1.00 0.00 C ATOM 297 OG1 THR A 770 -1.908 -36.957 -17.225 1.00 0.00 O ATOM 298 CG2 THR A 770 -3.939 -37.705 -16.254 1.00 0.00 C ATOM 0 H THR A 770 -1.755 -34.386 -16.646 1.00 0.00 H new ATOM 0 HA THR A 770 -4.088 -35.548 -17.902 1.00 0.00 H new ATOM 0 HB THR A 770 -2.600 -36.272 -15.377 1.00 0.00 H new ATOM 0 HG1 THR A 770 -1.698 -37.898 -17.047 1.00 0.00 H new ATOM 0 HG21 THR A 770 -3.424 -38.570 -15.837 1.00 0.00 H new ATOM 0 HG22 THR A 770 -4.765 -37.424 -15.600 1.00 0.00 H new ATOM 0 HG23 THR A 770 -4.327 -37.955 -17.241 1.00 0.00 H new ATOM 306 N CYS A 771 -4.432 -34.000 -14.997 1.00 0.00 N ATOM 307 CA CYS A 771 -5.416 -33.437 -14.063 1.00 0.00 C ATOM 308 C CYS A 771 -5.750 -31.947 -14.324 1.00 0.00 C ATOM 309 O CYS A 771 -6.758 -31.456 -13.810 1.00 0.00 O ATOM 310 CB CYS A 771 -4.870 -33.590 -12.642 1.00 0.00 C ATOM 311 SG CYS A 771 -4.549 -35.327 -12.171 1.00 0.00 S ATOM 0 H CYS A 771 -3.469 -33.764 -14.757 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.347 -33.986 -14.206 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -3.945 -33.020 -12.553 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.581 -33.156 -11.939 1.00 0.00 H new ATOM 316 N LYS A 772 -4.909 -31.239 -15.096 1.00 0.00 N ATOM 317 CA LYS A 772 -5.089 -29.889 -15.678 1.00 0.00 C ATOM 318 C LYS A 772 -4.688 -28.723 -14.738 1.00 0.00 C ATOM 319 O LYS A 772 -4.935 -27.559 -15.073 1.00 0.00 O ATOM 320 CB LYS A 772 -6.509 -29.693 -16.253 1.00 0.00 C ATOM 321 CG LYS A 772 -6.931 -30.773 -17.267 1.00 0.00 C ATOM 322 CD LYS A 772 -8.431 -30.655 -17.559 1.00 0.00 C ATOM 323 CE LYS A 772 -8.931 -31.731 -18.532 1.00 0.00 C ATOM 324 NZ LYS A 772 -8.386 -31.553 -19.901 1.00 0.00 N ATOM 0 H LYS A 772 -4.002 -31.628 -15.355 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.379 -29.846 -16.504 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.224 -29.683 -15.431 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -6.563 -28.717 -16.735 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -6.362 -30.660 -18.190 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.705 -31.763 -16.872 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -8.986 -30.730 -16.624 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.640 -29.669 -17.975 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -8.650 -32.715 -18.157 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -10.020 -31.704 -18.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -8.752 -32.303 -20.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -8.675 -30.625 -20.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -7.348 -31.605 -19.871 1.00 0.00 H new ATOM 338 N TYR A 773 -4.098 -28.997 -13.569 1.00 0.00 N ATOM 339 CA TYR A 773 -3.727 -27.984 -12.562 1.00 0.00 C ATOM 340 C TYR A 773 -2.220 -27.650 -12.533 1.00 0.00 C ATOM 341 O TYR A 773 -1.388 -28.445 -12.986 1.00 0.00 O ATOM 342 CB TYR A 773 -4.191 -28.441 -11.172 1.00 0.00 C ATOM 343 CG TYR A 773 -3.464 -29.652 -10.598 1.00 0.00 C ATOM 344 CD1 TYR A 773 -2.236 -29.485 -9.936 1.00 0.00 C ATOM 345 CD2 TYR A 773 -4.022 -30.939 -10.725 1.00 0.00 C ATOM 346 CE1 TYR A 773 -1.550 -30.593 -9.407 1.00 0.00 C ATOM 347 CE2 TYR A 773 -3.385 -32.043 -10.119 1.00 0.00 C ATOM 348 CZ TYR A 773 -2.143 -31.875 -9.468 1.00 0.00 C ATOM 349 OH TYR A 773 -1.523 -32.945 -8.911 1.00 0.00 O ATOM 0 H TYR A 773 -3.858 -29.947 -13.286 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.234 -27.063 -12.852 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -4.075 -27.608 -10.478 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.256 -28.669 -11.221 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.815 -28.496 -9.832 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.935 -31.081 -11.285 1.00 0.00 H new ATOM 0 HE1 TYR A 773 -0.577 -30.465 -8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -3.848 -33.018 -10.153 1.00 0.00 H new ATOM 0 HH TYR A 773 -1.597 -33.716 -9.512 1.00 0.00 H new ATOM 359 N THR A 774 -1.878 -26.501 -11.935 1.00 0.00 N ATOM 360 CA THR A 774 -0.499 -26.025 -11.709 1.00 0.00 C ATOM 361 C THR A 774 -0.170 -26.068 -10.215 1.00 0.00 C ATOM 362 O THR A 774 -1.001 -25.707 -9.386 1.00 0.00 O ATOM 363 CB THR A 774 -0.323 -24.608 -12.277 1.00 0.00 C ATOM 364 OG1 THR A 774 -0.802 -24.573 -13.610 1.00 0.00 O ATOM 365 CG2 THR A 774 1.138 -24.154 -12.302 1.00 0.00 C ATOM 0 H THR A 774 -2.578 -25.850 -11.580 1.00 0.00 H new ATOM 0 HA THR A 774 0.196 -26.682 -12.231 1.00 0.00 H new ATOM 0 HB THR A 774 -0.882 -23.939 -11.623 1.00 0.00 H new ATOM 0 HG1 THR A 774 -0.182 -25.058 -14.193 1.00 0.00 H new ATOM 0 HG21 THR A 774 1.199 -23.146 -12.713 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.537 -24.157 -11.288 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.720 -24.835 -12.923 1.00 0.00 H new ATOM 373 N HIS A 775 1.036 -26.508 -9.866 1.00 0.00 N ATOM 374 CA HIS A 775 1.498 -26.740 -8.496 1.00 0.00 C ATOM 375 C HIS A 775 3.032 -26.617 -8.361 1.00 0.00 C ATOM 376 O HIS A 775 3.746 -26.536 -9.369 1.00 0.00 O ATOM 377 CB HIS A 775 1.033 -28.143 -8.067 1.00 0.00 C ATOM 378 CG HIS A 775 0.452 -28.189 -6.678 1.00 0.00 C ATOM 379 ND1 HIS A 775 0.983 -28.829 -5.581 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.749 -27.652 -6.296 1.00 0.00 C ATOM 381 CE1 HIS A 775 0.125 -28.673 -4.559 1.00 0.00 C ATOM 382 NE2 HIS A 775 -0.942 -27.950 -4.940 1.00 0.00 N ATOM 0 H HIS A 775 1.752 -26.723 -10.560 1.00 0.00 H new ATOM 0 HA HIS A 775 1.071 -25.974 -7.848 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.286 -28.501 -8.776 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.879 -28.829 -8.121 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.427 -27.097 -6.928 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.272 -29.074 -3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 775 -1.733 -27.674 -4.359 1.00 0.00 H new ATOM 390 N PHE A 776 3.558 -26.665 -7.131 1.00 0.00 N ATOM 391 CA PHE A 776 5.003 -26.653 -6.849 1.00 0.00 C ATOM 392 C PHE A 776 5.705 -27.944 -7.303 1.00 0.00 C ATOM 393 O PHE A 776 6.865 -27.914 -7.724 1.00 0.00 O ATOM 394 CB PHE A 776 5.226 -26.464 -5.339 1.00 0.00 C ATOM 395 CG PHE A 776 4.305 -25.475 -4.648 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.426 -24.093 -4.896 1.00 0.00 C ATOM 397 CD2 PHE A 776 3.311 -25.943 -3.768 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.555 -23.189 -4.260 1.00 0.00 C ATOM 399 CE2 PHE A 776 2.443 -25.038 -3.134 1.00 0.00 C ATOM 400 CZ PHE A 776 2.565 -23.664 -3.385 1.00 0.00 C ATOM 0 H PHE A 776 2.985 -26.714 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 776 5.436 -25.827 -7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 776 5.117 -27.433 -4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.255 -26.142 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.185 -23.729 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 776 3.215 -27.002 -3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 776 3.648 -22.129 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 776 1.684 -25.400 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 776 1.894 -22.968 -2.903 1.00 0.00 H new ATOM 410 N LYS A 777 4.992 -29.079 -7.215 1.00 0.00 N ATOM 411 CA LYS A 777 5.478 -30.445 -7.466 1.00 0.00 C ATOM 412 C LYS A 777 4.297 -31.430 -7.675 1.00 0.00 C ATOM 413 O LYS A 777 3.205 -31.161 -7.146 1.00 0.00 O ATOM 414 CB LYS A 777 6.399 -30.880 -6.305 1.00 0.00 C ATOM 415 CG LYS A 777 5.687 -30.967 -4.943 1.00 0.00 C ATOM 416 CD LYS A 777 6.709 -31.233 -3.839 1.00 0.00 C ATOM 417 CE LYS A 777 6.012 -31.363 -2.484 1.00 0.00 C ATOM 418 NZ LYS A 777 6.982 -31.610 -1.390 1.00 0.00 N ATOM 0 H LYS A 777 4.007 -29.067 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 777 6.058 -30.459 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 777 6.830 -31.853 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.227 -30.175 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.154 -30.038 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 777 4.943 -31.763 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.262 -32.146 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 777 7.435 -30.421 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 777 5.451 -30.452 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 777 5.291 -32.180 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 6.473 -31.693 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 7.500 -32.492 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 7.655 -30.819 -1.337 1.00 0.00 H new ATOM 432 N PRO A 778 4.477 -32.537 -8.424 1.00 0.00 N ATOM 433 CA PRO A 778 3.424 -33.521 -8.658 1.00 0.00 C ATOM 434 C PRO A 778 3.215 -34.383 -7.405 1.00 0.00 C ATOM 435 O PRO A 778 4.101 -34.504 -6.561 1.00 0.00 O ATOM 436 CB PRO A 778 3.900 -34.356 -9.853 1.00 0.00 C ATOM 437 CG PRO A 778 5.420 -34.329 -9.703 1.00 0.00 C ATOM 438 CD PRO A 778 5.688 -32.927 -9.147 1.00 0.00 C ATOM 0 HA PRO A 778 2.461 -33.056 -8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.508 -35.373 -9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.580 -33.924 -10.801 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.772 -35.106 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 778 5.922 -34.487 -10.657 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.553 -32.930 -8.484 1.00 0.00 H new ATOM 0 HD3 PRO A 778 5.905 -32.224 -9.951 1.00 0.00 H new ATOM 446 N LYS A 779 2.034 -34.994 -7.293 1.00 0.00 N ATOM 447 CA LYS A 779 1.720 -35.928 -6.204 1.00 0.00 C ATOM 448 C LYS A 779 2.455 -37.272 -6.360 1.00 0.00 C ATOM 449 O LYS A 779 2.781 -37.713 -7.466 1.00 0.00 O ATOM 450 CB LYS A 779 0.201 -36.162 -6.126 1.00 0.00 C ATOM 451 CG LYS A 779 -0.563 -34.900 -5.701 1.00 0.00 C ATOM 452 CD LYS A 779 -2.050 -35.158 -5.407 1.00 0.00 C ATOM 453 CE LYS A 779 -2.966 -35.284 -6.637 1.00 0.00 C ATOM 454 NZ LYS A 779 -2.742 -36.510 -7.440 1.00 0.00 N ATOM 0 H LYS A 779 1.268 -34.857 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 779 2.067 -35.473 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 779 -0.163 -36.494 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 779 -0.005 -36.964 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 779 -0.092 -34.481 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 779 -0.480 -34.151 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -2.131 -36.074 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -2.423 -34.347 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -4.004 -35.265 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.819 -34.413 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -3.637 -36.805 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -2.039 -36.316 -8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -2.393 -37.270 -6.822 1.00 0.00 H new ATOM 468 N GLU A 780 2.601 -37.989 -5.247 1.00 0.00 N ATOM 469 CA GLU A 780 3.076 -39.375 -5.244 1.00 0.00 C ATOM 470 C GLU A 780 2.135 -40.299 -6.036 1.00 0.00 C ATOM 471 O GLU A 780 2.609 -41.203 -6.727 1.00 0.00 O ATOM 472 CB GLU A 780 3.331 -39.882 -3.809 1.00 0.00 C ATOM 473 CG GLU A 780 2.141 -39.873 -2.836 1.00 0.00 C ATOM 474 CD GLU A 780 1.940 -38.512 -2.149 1.00 0.00 C ATOM 475 OE1 GLU A 780 1.379 -37.585 -2.780 1.00 0.00 O ATOM 476 OE2 GLU A 780 2.366 -38.352 -0.981 1.00 0.00 O ATOM 0 H GLU A 780 2.393 -37.625 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 780 4.037 -39.396 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 780 3.706 -40.903 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 780 4.127 -39.277 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 780 1.233 -40.138 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 780 2.294 -40.639 -2.076 1.00 0.00 H new ATOM 483 N THR A 781 0.823 -40.016 -6.038 1.00 0.00 N ATOM 484 CA THR A 781 -0.180 -40.690 -6.877 1.00 0.00 C ATOM 485 C THR A 781 -0.028 -40.338 -8.349 1.00 0.00 C ATOM 486 O THR A 781 -0.103 -41.244 -9.175 1.00 0.00 O ATOM 487 CB THR A 781 -1.600 -40.395 -6.376 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.750 -39.024 -6.083 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.897 -41.195 -5.112 1.00 0.00 C ATOM 0 H THR A 781 0.420 -39.294 -5.441 1.00 0.00 H new ATOM 0 HA THR A 781 -0.005 -41.762 -6.791 1.00 0.00 H new ATOM 0 HB THR A 781 -2.295 -40.679 -7.166 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.601 -38.880 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.908 -40.974 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.812 -42.260 -5.327 1.00 0.00 H new ATOM 0 HG23 THR A 781 -1.184 -40.924 -4.334 1.00 0.00 H new ATOM 497 N CYS A 782 0.267 -39.084 -8.693 1.00 0.00 N ATOM 498 CA CYS A 782 0.538 -38.655 -10.069 1.00 0.00 C ATOM 499 C CYS A 782 1.813 -39.307 -10.624 1.00 0.00 C ATOM 500 O CYS A 782 1.827 -39.770 -11.764 1.00 0.00 O ATOM 501 CB CYS A 782 0.649 -37.125 -10.117 1.00 0.00 C ATOM 502 SG CYS A 782 -0.983 -36.364 -9.909 1.00 0.00 S ATOM 0 H CYS A 782 0.326 -38.325 -8.014 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.291 -38.978 -10.699 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.321 -36.778 -9.332 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.083 -36.815 -11.068 1.00 0.00 H new ATOM 507 N VAL A 783 2.872 -39.380 -9.818 1.00 0.00 N ATOM 508 CA VAL A 783 4.135 -40.054 -10.180 1.00 0.00 C ATOM 509 C VAL A 783 3.930 -41.575 -10.302 1.00 0.00 C ATOM 510 O VAL A 783 4.407 -42.172 -11.264 1.00 0.00 O ATOM 511 CB VAL A 783 5.265 -39.703 -9.186 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.552 -40.504 -9.441 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.616 -38.203 -9.272 1.00 0.00 C ATOM 0 H VAL A 783 2.885 -38.971 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 783 4.446 -39.686 -11.158 1.00 0.00 H new ATOM 0 HB VAL A 783 4.884 -39.959 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.310 -40.216 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.343 -41.569 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.917 -40.296 -10.447 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.414 -37.975 -8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 783 5.948 -37.964 -10.282 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.735 -37.609 -9.029 1.00 0.00 H new ATOM 523 N SER A 784 3.189 -42.208 -9.387 1.00 0.00 N ATOM 524 CA SER A 784 2.929 -43.662 -9.414 1.00 0.00 C ATOM 525 C SER A 784 2.034 -44.088 -10.594 1.00 0.00 C ATOM 526 O SER A 784 2.342 -45.054 -11.297 1.00 0.00 O ATOM 527 CB SER A 784 2.293 -44.088 -8.083 1.00 0.00 C ATOM 528 OG SER A 784 2.152 -45.501 -7.987 1.00 0.00 O ATOM 0 H SER A 784 2.748 -41.730 -8.601 1.00 0.00 H new ATOM 0 HA SER A 784 3.886 -44.165 -9.554 1.00 0.00 H new ATOM 0 HB2 SER A 784 2.906 -43.728 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 784 1.315 -43.618 -7.982 1.00 0.00 H new ATOM 0 HG SER A 784 1.745 -45.731 -7.126 1.00 0.00 H new ATOM 534 N GLU A 785 0.968 -43.332 -10.871 1.00 0.00 N ATOM 535 CA GLU A 785 0.084 -43.545 -12.029 1.00 0.00 C ATOM 536 C GLU A 785 0.694 -43.043 -13.358 1.00 0.00 C ATOM 537 O GLU A 785 0.099 -43.232 -14.419 1.00 0.00 O ATOM 538 CB GLU A 785 -1.285 -42.880 -11.781 1.00 0.00 C ATOM 539 CG GLU A 785 -2.080 -43.497 -10.613 1.00 0.00 C ATOM 540 CD GLU A 785 -2.529 -44.937 -10.921 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.466 -45.133 -11.732 1.00 0.00 O ATOM 542 OE2 GLU A 785 -1.963 -45.890 -10.335 1.00 0.00 O ATOM 0 H GLU A 785 0.687 -42.542 -10.290 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.044 -44.622 -12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.131 -41.819 -11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.882 -42.951 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.465 -43.493 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.955 -42.881 -10.404 1.00 0.00 H new ATOM 549 N ASN A 786 1.879 -42.418 -13.319 1.00 0.00 N ATOM 550 CA ASN A 786 2.642 -41.929 -14.474 1.00 0.00 C ATOM 551 C ASN A 786 1.830 -40.925 -15.326 1.00 0.00 C ATOM 552 O ASN A 786 1.711 -41.057 -16.549 1.00 0.00 O ATOM 553 CB ASN A 786 3.249 -43.108 -15.273 1.00 0.00 C ATOM 554 CG ASN A 786 4.463 -43.732 -14.583 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.602 -43.515 -14.977 1.00 0.00 O ATOM 556 ND2 ASN A 786 4.272 -44.517 -13.537 1.00 0.00 N ATOM 0 H ASN A 786 2.355 -42.231 -12.436 1.00 0.00 H new ATOM 0 HA ASN A 786 3.490 -41.350 -14.110 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.486 -43.873 -15.417 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.540 -42.758 -16.263 1.00 0.00 H new ATOM 0 HD21 ASN A 786 5.071 -44.938 -13.063 1.00 0.00 H new ATOM 0 HD22 ASN A 786 3.326 -44.702 -13.204 1.00 0.00 H new ATOM 563 N HIS A 787 1.252 -39.908 -14.667 1.00 0.00 N ATOM 564 CA HIS A 787 0.633 -38.746 -15.317 1.00 0.00 C ATOM 565 C HIS A 787 1.671 -37.971 -16.139 1.00 0.00 C ATOM 566 O HIS A 787 2.864 -37.994 -15.839 1.00 0.00 O ATOM 567 CB HIS A 787 -0.019 -37.837 -14.257 1.00 0.00 C ATOM 568 CG HIS A 787 -1.288 -38.371 -13.616 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.180 -37.657 -12.811 1.00 0.00 N ATOM 570 CD2 HIS A 787 -1.777 -39.642 -13.763 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.190 -38.503 -12.512 1.00 0.00 C ATOM 572 NE2 HIS A 787 -2.961 -39.709 -13.063 1.00 0.00 N ATOM 0 H HIS A 787 1.202 -39.871 -13.649 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.142 -39.095 -16.000 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.711 -37.648 -13.470 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.245 -36.876 -14.720 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.319 -40.443 -14.324 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.055 -38.248 -11.917 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.560 -40.530 -12.977 1.00 0.00 H new ATOM 580 N ASP A 788 1.204 -37.277 -17.175 1.00 0.00 N ATOM 581 CA ASP A 788 2.029 -36.377 -17.986 1.00 0.00 C ATOM 582 C ASP A 788 2.076 -34.980 -17.348 1.00 0.00 C ATOM 583 O ASP A 788 1.038 -34.445 -16.962 1.00 0.00 O ATOM 584 CB ASP A 788 1.477 -36.291 -19.417 1.00 0.00 C ATOM 585 CG ASP A 788 1.669 -37.604 -20.197 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.830 -37.942 -20.540 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.659 -38.293 -20.484 1.00 0.00 O ATOM 0 H ASP A 788 0.232 -37.323 -17.480 1.00 0.00 H new ATOM 0 HA ASP A 788 3.042 -36.776 -18.028 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.416 -36.045 -19.381 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.975 -35.479 -19.948 1.00 0.00 H new ATOM 592 N PHE A 789 3.266 -34.375 -17.274 1.00 0.00 N ATOM 593 CA PHE A 789 3.454 -33.017 -16.764 1.00 0.00 C ATOM 594 C PHE A 789 4.460 -32.212 -17.600 1.00 0.00 C ATOM 595 O PHE A 789 5.379 -32.764 -18.204 1.00 0.00 O ATOM 596 CB PHE A 789 3.865 -32.985 -15.275 1.00 0.00 C ATOM 597 CG PHE A 789 4.136 -34.297 -14.553 1.00 0.00 C ATOM 598 CD1 PHE A 789 5.439 -34.831 -14.508 1.00 0.00 C ATOM 599 CD2 PHE A 789 3.103 -34.933 -13.841 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.708 -35.991 -13.759 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.374 -36.086 -13.087 1.00 0.00 C ATOM 602 CZ PHE A 789 4.673 -36.619 -13.047 1.00 0.00 C ATOM 0 H PHE A 789 4.134 -34.821 -17.570 1.00 0.00 H new ATOM 0 HA PHE A 789 2.476 -32.544 -16.851 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.765 -32.375 -15.196 1.00 0.00 H new ATOM 0 HB3 PHE A 789 3.078 -32.466 -14.728 1.00 0.00 H new ATOM 0 HD1 PHE A 789 6.236 -34.347 -15.052 1.00 0.00 H new ATOM 0 HD2 PHE A 789 2.100 -34.534 -13.874 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.708 -36.398 -13.732 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.579 -36.566 -12.535 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.875 -37.509 -12.470 1.00 0.00 H new ATOM 612 N HIS A 790 4.307 -30.887 -17.577 1.00 0.00 N ATOM 613 CA HIS A 790 5.291 -29.918 -18.057 1.00 0.00 C ATOM 614 C HIS A 790 5.814 -29.095 -16.867 1.00 0.00 C ATOM 615 O HIS A 790 5.026 -28.515 -16.114 1.00 0.00 O ATOM 616 CB HIS A 790 4.656 -28.989 -19.106 1.00 0.00 C ATOM 617 CG HIS A 790 4.448 -29.602 -20.470 1.00 0.00 C ATOM 618 ND1 HIS A 790 4.828 -29.047 -21.672 1.00 0.00 N ATOM 619 CD2 HIS A 790 3.823 -30.787 -20.767 1.00 0.00 C ATOM 620 CE1 HIS A 790 4.437 -29.866 -22.659 1.00 0.00 C ATOM 621 NE2 HIS A 790 3.817 -30.951 -22.160 1.00 0.00 N ATOM 0 H HIS A 790 3.464 -30.444 -17.210 1.00 0.00 H new ATOM 0 HA HIS A 790 6.121 -30.448 -18.524 1.00 0.00 H new ATOM 0 HB2 HIS A 790 3.692 -28.647 -18.729 1.00 0.00 H new ATOM 0 HB3 HIS A 790 5.287 -28.107 -19.215 1.00 0.00 H new ATOM 0 HD2 HIS A 790 3.406 -31.477 -20.049 1.00 0.00 H new ATOM 0 HE1 HIS A 790 4.598 -29.680 -23.711 1.00 0.00 H new ATOM 0 HE2 HIS A 790 3.424 -31.731 -22.686 1.00 0.00 H new ATOM 629 N TRP A 791 7.140 -29.010 -16.721 1.00 0.00 N ATOM 630 CA TRP A 791 7.812 -28.138 -15.750 1.00 0.00 C ATOM 631 C TRP A 791 8.149 -26.773 -16.371 1.00 0.00 C ATOM 632 O TRP A 791 8.464 -26.673 -17.557 1.00 0.00 O ATOM 633 CB TRP A 791 9.056 -28.837 -15.191 1.00 0.00 C ATOM 634 CG TRP A 791 8.774 -30.011 -14.299 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.545 -31.282 -14.701 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.695 -30.038 -12.835 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.336 -32.091 -13.598 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.438 -31.381 -12.419 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.822 -29.067 -11.817 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.340 -31.739 -11.066 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.707 -29.414 -10.459 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.482 -30.749 -10.080 1.00 0.00 C ATOM 0 H TRP A 791 7.790 -29.556 -17.286 1.00 0.00 H new ATOM 0 HA TRP A 791 7.133 -27.946 -14.920 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.672 -29.173 -16.025 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.644 -28.109 -14.633 1.00 0.00 H new ATOM 0 HD1 TRP A 791 8.528 -31.615 -15.728 1.00 0.00 H new ATOM 0 HE1 TRP A 791 8.132 -33.089 -13.650 1.00 0.00 H new ATOM 0 HE3 TRP A 791 9.011 -28.038 -12.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.157 -32.766 -10.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.792 -28.649 -9.701 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.419 -31.012 -9.035 1.00 0.00 H new ATOM 653 N HIS A 792 8.092 -25.716 -15.560 1.00 0.00 N ATOM 654 CA HIS A 792 8.260 -24.313 -15.952 1.00 0.00 C ATOM 655 C HIS A 792 8.539 -23.425 -14.721 1.00 0.00 C ATOM 656 O HIS A 792 8.564 -23.908 -13.588 1.00 0.00 O ATOM 657 CB HIS A 792 7.008 -23.844 -16.726 1.00 0.00 C ATOM 658 CG HIS A 792 5.727 -23.844 -15.923 1.00 0.00 C ATOM 659 ND1 HIS A 792 5.058 -22.736 -15.448 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.969 -24.942 -15.603 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.929 -23.162 -14.854 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.829 -24.504 -14.915 1.00 0.00 N ATOM 0 H HIS A 792 7.919 -25.819 -14.560 1.00 0.00 H new ATOM 0 HA HIS A 792 9.126 -24.223 -16.608 1.00 0.00 H new ATOM 0 HB2 HIS A 792 7.186 -22.835 -17.099 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.874 -24.487 -17.596 1.00 0.00 H new ATOM 0 HD1 HIS A 792 5.364 -21.767 -15.532 1.00 0.00 H new ATOM 0 HD2 HIS A 792 5.209 -25.968 -15.840 1.00 0.00 H new ATOM 0 HE1 HIS A 792 3.200 -22.514 -14.390 1.00 0.00 H new ATOM 670 N ASN A 793 8.747 -22.118 -14.921 1.00 0.00 N ATOM 671 CA ASN A 793 8.882 -21.147 -13.832 1.00 0.00 C ATOM 672 C ASN A 793 7.555 -20.448 -13.487 1.00 0.00 C ATOM 673 O ASN A 793 6.650 -20.308 -14.322 1.00 0.00 O ATOM 674 CB ASN A 793 9.976 -20.130 -14.178 1.00 0.00 C ATOM 675 CG ASN A 793 11.368 -20.747 -14.109 1.00 0.00 C ATOM 676 OD1 ASN A 793 12.032 -20.941 -15.119 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.842 -21.079 -12.922 1.00 0.00 N ATOM 0 H ASN A 793 8.827 -21.703 -15.849 1.00 0.00 H new ATOM 0 HA ASN A 793 9.172 -21.695 -12.935 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.802 -19.737 -15.180 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.918 -19.287 -13.490 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.767 -21.500 -12.842 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.283 -20.914 -12.085 1.00 0.00 H new ATOM 684 N GLY A 794 7.461 -19.990 -12.232 1.00 0.00 N ATOM 685 CA GLY A 794 6.329 -19.274 -11.639 1.00 0.00 C ATOM 686 C GLY A 794 6.743 -18.510 -10.377 1.00 0.00 C ATOM 687 O GLY A 794 7.924 -18.210 -10.185 1.00 0.00 O ATOM 0 H GLY A 794 8.221 -20.119 -11.564 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.917 -18.577 -12.368 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.538 -19.983 -11.393 1.00 0.00 H new ATOM 691 N VAL A 795 5.782 -18.204 -9.507 1.00 0.00 N ATOM 692 CA VAL A 795 5.978 -17.480 -8.239 1.00 0.00 C ATOM 693 C VAL A 795 4.873 -17.826 -7.236 1.00 0.00 C ATOM 694 O VAL A 795 3.702 -17.952 -7.592 1.00 0.00 O ATOM 695 CB VAL A 795 6.118 -15.946 -8.443 1.00 0.00 C ATOM 696 CG1 VAL A 795 5.049 -15.365 -9.381 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.100 -15.168 -7.116 1.00 0.00 C ATOM 0 H VAL A 795 4.808 -18.460 -9.666 1.00 0.00 H new ATOM 0 HA VAL A 795 6.927 -17.815 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 795 7.094 -15.820 -8.912 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.200 -14.290 -9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.128 -15.837 -10.360 1.00 0.00 H new ATOM 0 HG13 VAL A 795 4.059 -15.554 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.201 -14.102 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 795 5.158 -15.352 -6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.928 -15.499 -6.489 1.00 0.00 H new ATOM 707 N LYS A 796 5.282 -17.991 -5.973 1.00 0.00 N ATOM 708 CA LYS A 796 4.461 -18.474 -4.863 1.00 0.00 C ATOM 709 C LYS A 796 4.175 -17.376 -3.818 1.00 0.00 C ATOM 710 O LYS A 796 5.068 -16.611 -3.443 1.00 0.00 O ATOM 711 CB LYS A 796 5.167 -19.701 -4.255 1.00 0.00 C ATOM 712 CG LYS A 796 6.508 -19.370 -3.566 1.00 0.00 C ATOM 713 CD LYS A 796 7.479 -20.555 -3.566 1.00 0.00 C ATOM 714 CE LYS A 796 6.931 -21.759 -2.788 1.00 0.00 C ATOM 715 NZ LYS A 796 7.895 -22.891 -2.795 1.00 0.00 N ATOM 0 H LYS A 796 6.238 -17.781 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 796 3.477 -18.764 -5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.502 -20.169 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.345 -20.433 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 796 6.973 -18.524 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.318 -19.061 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 796 7.685 -20.853 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.428 -20.244 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.720 -21.465 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 796 5.987 -22.080 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.496 -23.690 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.077 -23.186 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 8.787 -22.590 -2.353 1.00 0.00 H new ATOM 729 N ARG A 797 2.925 -17.309 -3.351 1.00 0.00 N ATOM 730 CA ARG A 797 2.442 -16.391 -2.307 1.00 0.00 C ATOM 731 C ARG A 797 2.191 -17.182 -1.015 1.00 0.00 C ATOM 732 O ARG A 797 1.741 -18.328 -1.059 1.00 0.00 O ATOM 733 CB ARG A 797 1.172 -15.610 -2.726 1.00 0.00 C ATOM 734 CG ARG A 797 0.638 -15.804 -4.158 1.00 0.00 C ATOM 735 CD ARG A 797 1.504 -15.161 -5.255 1.00 0.00 C ATOM 736 NE ARG A 797 1.209 -15.763 -6.566 1.00 0.00 N ATOM 737 CZ ARG A 797 1.354 -15.205 -7.765 1.00 0.00 C ATOM 738 NH1 ARG A 797 1.889 -14.017 -7.943 1.00 0.00 N ATOM 739 NH2 ARG A 797 0.944 -15.865 -8.828 1.00 0.00 N ATOM 0 H ARG A 797 2.187 -17.919 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 797 3.216 -15.641 -2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.373 -15.877 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 797 1.373 -14.548 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 797 0.553 -16.872 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 797 -0.368 -15.388 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.317 -14.088 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 797 2.559 -15.293 -5.017 1.00 0.00 H new ATOM 0 HE ARG A 797 0.852 -16.718 -6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.215 -13.479 -7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 797 1.978 -13.633 -8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 797 0.523 -16.788 -8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.047 -15.453 -9.755 1.00 0.00 H new ATOM 753 N PHE A 798 2.489 -16.566 0.127 1.00 0.00 N ATOM 754 CA PHE A 798 2.424 -17.189 1.452 1.00 0.00 C ATOM 755 C PHE A 798 1.181 -16.703 2.206 1.00 0.00 C ATOM 756 O PHE A 798 0.759 -15.558 2.021 1.00 0.00 O ATOM 757 CB PHE A 798 3.723 -16.874 2.213 1.00 0.00 C ATOM 758 CG PHE A 798 4.973 -17.050 1.369 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.469 -18.342 1.104 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.611 -15.933 0.798 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.570 -18.517 0.247 1.00 0.00 C ATOM 762 CE2 PHE A 798 6.709 -16.110 -0.057 1.00 0.00 C ATOM 763 CZ PHE A 798 7.185 -17.402 -0.343 1.00 0.00 C ATOM 0 H PHE A 798 2.791 -15.592 0.160 1.00 0.00 H new ATOM 0 HA PHE A 798 2.335 -18.271 1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.682 -15.848 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 798 3.790 -17.521 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.002 -19.202 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.255 -14.938 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 798 6.943 -19.510 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.191 -15.250 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.021 -17.536 -1.014 1.00 0.00 H new ATOM 773 N PHE A 799 0.589 -17.542 3.057 1.00 0.00 N ATOM 774 CA PHE A 799 -0.653 -17.227 3.771 1.00 0.00 C ATOM 775 C PHE A 799 -0.599 -17.630 5.246 1.00 0.00 C ATOM 776 O PHE A 799 -0.046 -18.669 5.603 1.00 0.00 O ATOM 777 CB PHE A 799 -1.860 -17.873 3.071 1.00 0.00 C ATOM 778 CG PHE A 799 -2.048 -17.444 1.627 1.00 0.00 C ATOM 779 CD1 PHE A 799 -1.339 -18.091 0.597 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.902 -16.369 1.313 1.00 0.00 C ATOM 781 CE1 PHE A 799 -1.449 -17.639 -0.731 1.00 0.00 C ATOM 782 CE2 PHE A 799 -3.019 -15.924 -0.016 1.00 0.00 C ATOM 783 CZ PHE A 799 -2.285 -16.551 -1.034 1.00 0.00 C ATOM 0 H PHE A 799 0.960 -18.467 3.273 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.770 -16.144 3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.747 -18.957 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.763 -17.629 3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.709 -18.937 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -3.469 -15.885 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.892 -18.128 -1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.674 -15.099 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 799 -2.363 -16.197 -2.051 1.00 0.00 H new ATOM 793 N LYS A 800 -1.218 -16.809 6.094 1.00 0.00 N ATOM 794 CA LYS A 800 -1.361 -17.008 7.539 1.00 0.00 C ATOM 795 C LYS A 800 -2.841 -17.056 7.969 1.00 0.00 C ATOM 796 O LYS A 800 -3.681 -16.299 7.472 1.00 0.00 O ATOM 797 CB LYS A 800 -0.590 -15.879 8.251 1.00 0.00 C ATOM 798 CG LYS A 800 -0.684 -15.972 9.779 1.00 0.00 C ATOM 799 CD LYS A 800 0.118 -14.893 10.510 1.00 0.00 C ATOM 800 CE LYS A 800 0.088 -15.096 12.032 1.00 0.00 C ATOM 801 NZ LYS A 800 -1.287 -15.030 12.594 1.00 0.00 N ATOM 0 H LYS A 800 -1.656 -15.944 5.778 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.943 -17.974 7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.458 -15.915 7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.981 -14.915 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.730 -15.898 10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.331 -16.953 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.151 -14.908 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 800 -0.287 -13.911 10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 800 0.529 -16.063 12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.707 -14.336 12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 -1.241 -15.088 13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 -1.732 -14.132 12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 -1.850 -15.823 12.227 1.00 0.00 H new ATOM 815 N CYS A 801 -3.151 -17.934 8.920 1.00 0.00 N ATOM 816 CA CYS A 801 -4.417 -18.014 9.654 1.00 0.00 C ATOM 817 C CYS A 801 -4.309 -17.246 11.003 1.00 0.00 C ATOM 818 O CYS A 801 -3.216 -17.218 11.591 1.00 0.00 O ATOM 819 CB CYS A 801 -4.676 -19.514 9.878 1.00 0.00 C ATOM 820 SG CYS A 801 -6.329 -19.821 10.579 1.00 0.00 S ATOM 0 H CYS A 801 -2.489 -18.651 9.218 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.239 -17.555 9.104 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.579 -20.044 8.931 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.917 -19.917 10.548 1.00 0.00 H new ATOM 825 N PRO A 802 -5.394 -16.649 11.546 1.00 0.00 N ATOM 826 CA PRO A 802 -5.359 -15.927 12.824 1.00 0.00 C ATOM 827 C PRO A 802 -4.892 -16.752 14.040 1.00 0.00 C ATOM 828 O PRO A 802 -4.399 -16.150 14.994 1.00 0.00 O ATOM 829 CB PRO A 802 -6.775 -15.365 13.029 1.00 0.00 C ATOM 830 CG PRO A 802 -7.652 -16.150 12.057 1.00 0.00 C ATOM 831 CD PRO A 802 -6.691 -16.443 10.910 1.00 0.00 C ATOM 0 HA PRO A 802 -4.601 -15.146 12.763 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.108 -15.498 14.058 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.810 -14.296 12.819 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.038 -17.065 12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.513 -15.569 11.727 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.001 -17.326 10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.656 -15.614 10.203 1.00 0.00 H new ATOM 839 N CYS A 803 -4.983 -18.092 14.023 1.00 0.00 N ATOM 840 CA CYS A 803 -4.443 -18.956 15.087 1.00 0.00 C ATOM 841 C CYS A 803 -2.901 -19.132 15.053 1.00 0.00 C ATOM 842 O CYS A 803 -2.309 -19.608 16.030 1.00 0.00 O ATOM 843 CB CYS A 803 -5.173 -20.312 15.054 1.00 0.00 C ATOM 844 SG CYS A 803 -4.656 -21.314 13.619 1.00 0.00 S ATOM 0 H CYS A 803 -5.435 -18.609 13.268 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.632 -18.452 16.035 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -4.968 -20.859 15.974 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.250 -20.146 15.015 1.00 0.00 H new ATOM 849 N GLY A 804 -2.250 -18.731 13.954 1.00 0.00 N ATOM 850 CA GLY A 804 -0.807 -18.844 13.707 1.00 0.00 C ATOM 851 C GLY A 804 -0.417 -19.886 12.654 1.00 0.00 C ATOM 852 O GLY A 804 0.721 -19.851 12.185 1.00 0.00 O ATOM 0 H GLY A 804 -2.741 -18.296 13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.429 -17.871 13.393 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.310 -19.092 14.645 1.00 0.00 H new ATOM 856 N ASN A 805 -1.327 -20.780 12.246 1.00 0.00 N ATOM 857 CA ASN A 805 -1.072 -21.763 11.183 1.00 0.00 C ATOM 858 C ASN A 805 -0.752 -21.087 9.827 1.00 0.00 C ATOM 859 O ASN A 805 -1.171 -19.951 9.578 1.00 0.00 O ATOM 860 CB ASN A 805 -2.272 -22.726 11.089 1.00 0.00 C ATOM 861 CG ASN A 805 -2.014 -23.956 10.220 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.880 -24.385 10.013 1.00 0.00 O ATOM 863 ND2 ASN A 805 -3.055 -24.544 9.662 1.00 0.00 N ATOM 0 H ASN A 805 -2.264 -20.843 12.645 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.181 -22.337 11.438 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.542 -23.053 12.093 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.129 -22.184 10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.920 -25.355 9.058 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.995 -24.188 9.834 1.00 0.00 H new ATOM 870 N ARG A 806 -0.002 -21.774 8.953 1.00 0.00 N ATOM 871 CA ARG A 806 0.492 -21.251 7.661 1.00 0.00 C ATOM 872 C ARG A 806 0.176 -22.186 6.478 1.00 0.00 C ATOM 873 O ARG A 806 -0.022 -23.388 6.673 1.00 0.00 O ATOM 874 CB ARG A 806 2.021 -21.044 7.739 1.00 0.00 C ATOM 875 CG ARG A 806 2.508 -20.020 8.783 1.00 0.00 C ATOM 876 CD ARG A 806 1.953 -18.609 8.549 1.00 0.00 C ATOM 877 NE ARG A 806 2.851 -17.551 9.046 1.00 0.00 N ATOM 878 CZ ARG A 806 3.137 -17.241 10.306 1.00 0.00 C ATOM 879 NH1 ARG A 806 2.602 -17.862 11.335 1.00 0.00 N ATOM 880 NH2 ARG A 806 3.994 -16.274 10.555 1.00 0.00 N ATOM 0 H ARG A 806 0.288 -22.736 9.126 1.00 0.00 H new ATOM 0 HA ARG A 806 -0.023 -20.307 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.488 -22.005 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.377 -20.731 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.217 -20.358 9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.597 -19.983 8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.783 -18.463 7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 806 0.985 -18.518 9.042 1.00 0.00 H new ATOM 0 HE ARG A 806 3.311 -16.985 8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 806 1.935 -18.619 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 806 2.854 -17.587 12.284 1.00 0.00 H new ATOM 0 HH21 ARG A 806 4.432 -15.770 9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 806 4.220 -16.029 11.519 1.00 0.00 H new ATOM 894 N THR A 807 0.202 -21.636 5.256 1.00 0.00 N ATOM 895 CA THR A 807 0.142 -22.361 3.969 1.00 0.00 C ATOM 896 C THR A 807 0.717 -21.504 2.838 1.00 0.00 C ATOM 897 O THR A 807 1.156 -20.376 3.064 1.00 0.00 O ATOM 898 CB THR A 807 -1.268 -22.909 3.695 1.00 0.00 C ATOM 899 OG1 THR A 807 -1.168 -23.904 2.701 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.274 -21.860 3.231 1.00 0.00 C ATOM 0 H THR A 807 0.268 -20.626 5.127 1.00 0.00 H new ATOM 0 HA THR A 807 0.779 -23.243 4.028 1.00 0.00 H new ATOM 0 HB THR A 807 -1.643 -23.295 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 807 -2.058 -24.268 2.512 1.00 0.00 H new ATOM 0 HG21 THR A 807 -3.241 -22.333 3.061 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.376 -21.090 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.925 -21.406 2.304 1.00 0.00 H new ATOM 908 N ILE A 808 0.759 -22.048 1.622 1.00 0.00 N ATOM 909 CA ILE A 808 1.358 -21.444 0.415 1.00 0.00 C ATOM 910 C ILE A 808 0.462 -21.772 -0.797 1.00 0.00 C ATOM 911 O ILE A 808 -0.118 -22.857 -0.861 1.00 0.00 O ATOM 912 CB ILE A 808 2.812 -21.966 0.187 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.652 -22.009 1.490 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.530 -21.106 -0.872 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.116 -22.453 1.314 1.00 0.00 C ATOM 0 H ILE A 808 0.359 -22.967 1.435 1.00 0.00 H new ATOM 0 HA ILE A 808 1.421 -20.364 0.544 1.00 0.00 H new ATOM 0 HB ILE A 808 2.721 -22.992 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.642 -21.017 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.166 -22.685 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.542 -21.482 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 808 2.983 -21.156 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.573 -20.071 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.616 -22.450 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.143 -23.459 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.626 -21.765 0.640 1.00 0.00 H new ATOM 927 N SER A 809 0.370 -20.867 -1.774 1.00 0.00 N ATOM 928 CA SER A 809 -0.275 -21.140 -3.070 1.00 0.00 C ATOM 929 C SER A 809 0.491 -20.475 -4.231 1.00 0.00 C ATOM 930 O SER A 809 1.229 -19.508 -4.030 1.00 0.00 O ATOM 931 CB SER A 809 -1.734 -20.670 -3.042 1.00 0.00 C ATOM 932 OG SER A 809 -2.423 -21.112 -4.200 1.00 0.00 O ATOM 0 H SER A 809 0.740 -19.920 -1.693 1.00 0.00 H new ATOM 0 HA SER A 809 -0.255 -22.217 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 809 -2.228 -21.054 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.770 -19.582 -2.984 1.00 0.00 H new ATOM 0 HG SER A 809 -3.353 -20.805 -4.165 1.00 0.00 H new ATOM 938 N LEU A 810 0.298 -20.966 -5.461 1.00 0.00 N ATOM 939 CA LEU A 810 0.676 -20.246 -6.690 1.00 0.00 C ATOM 940 C LEU A 810 -0.401 -19.223 -7.112 1.00 0.00 C ATOM 941 O LEU A 810 -0.116 -18.342 -7.923 1.00 0.00 O ATOM 942 CB LEU A 810 0.955 -21.266 -7.817 1.00 0.00 C ATOM 943 CG LEU A 810 2.170 -22.197 -7.591 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.356 -23.100 -8.817 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.479 -21.426 -7.356 1.00 0.00 C ATOM 0 H LEU A 810 -0.126 -21.877 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 810 1.584 -19.676 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.067 -21.884 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.107 -20.719 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 810 1.958 -22.779 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 810 3.212 -23.756 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.459 -23.702 -8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.529 -22.484 -9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.295 -22.132 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.695 -20.803 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.376 -20.795 -6.473 1.00 0.00 H new ATOM 957 N ASP A 811 -1.612 -19.295 -6.550 1.00 0.00 N ATOM 958 CA ASP A 811 -2.730 -18.368 -6.779 1.00 0.00 C ATOM 959 C ASP A 811 -2.877 -17.345 -5.634 1.00 0.00 C ATOM 960 O ASP A 811 -2.278 -17.475 -4.564 1.00 0.00 O ATOM 961 CB ASP A 811 -4.025 -19.185 -6.976 1.00 0.00 C ATOM 962 CG ASP A 811 -5.195 -18.415 -7.624 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.957 -17.377 -8.289 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.358 -18.848 -7.459 1.00 0.00 O ATOM 0 H ASP A 811 -1.853 -20.036 -5.891 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.527 -17.788 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.797 -20.054 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.351 -19.560 -6.006 1.00 0.00 H new ATOM 969 N ARG A 812 -3.717 -16.332 -5.872 1.00 0.00 N ATOM 970 CA ARG A 812 -4.041 -15.227 -4.959 1.00 0.00 C ATOM 971 C ARG A 812 -4.674 -15.647 -3.617 1.00 0.00 C ATOM 972 O ARG A 812 -4.741 -14.821 -2.703 1.00 0.00 O ATOM 973 CB ARG A 812 -4.949 -14.240 -5.712 1.00 0.00 C ATOM 974 CG ARG A 812 -6.315 -14.845 -6.081 1.00 0.00 C ATOM 975 CD ARG A 812 -7.114 -13.897 -6.977 1.00 0.00 C ATOM 976 NE ARG A 812 -8.449 -14.431 -7.299 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.746 -15.414 -8.141 1.00 0.00 C ATOM 978 NH1 ARG A 812 -7.828 -16.133 -8.753 1.00 0.00 N ATOM 979 NH2 ARG A 812 -10.005 -15.705 -8.374 1.00 0.00 N ATOM 0 H ARG A 812 -4.218 -16.256 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 812 -3.098 -14.765 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -5.104 -13.354 -5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -4.445 -13.912 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -6.168 -15.796 -6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.880 -15.055 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -7.220 -12.933 -6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.562 -13.721 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 812 -9.237 -13.995 -6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -6.839 -15.945 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -8.106 -16.878 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -10.745 -15.178 -7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -10.243 -16.458 -9.019 1.00 0.00 H new ATOM 993 N LEU A 813 -5.133 -16.902 -3.482 1.00 0.00 N ATOM 994 CA LEU A 813 -5.727 -17.479 -2.265 1.00 0.00 C ATOM 995 C LEU A 813 -5.690 -19.025 -2.343 1.00 0.00 C ATOM 996 O LEU A 813 -5.981 -19.568 -3.415 1.00 0.00 O ATOM 997 CB LEU A 813 -7.178 -16.960 -2.115 1.00 0.00 C ATOM 998 CG LEU A 813 -7.796 -17.130 -0.713 1.00 0.00 C ATOM 999 CD1 LEU A 813 -7.173 -16.174 0.316 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -9.308 -16.858 -0.781 1.00 0.00 C ATOM 0 H LEU A 813 -5.099 -17.571 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 813 -5.155 -17.174 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -7.197 -15.902 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.808 -17.478 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.597 -18.153 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.640 -16.331 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -6.103 -16.368 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -7.333 -15.144 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.744 -16.978 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -9.479 -15.840 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.774 -17.562 -1.470 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.369 -19.755 -1.251 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.466 -21.212 -1.201 1.00 0.00 C ATOM 1014 C PRO A 814 -6.930 -21.663 -1.087 1.00 0.00 C ATOM 1015 O PRO A 814 -7.788 -20.910 -0.624 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.652 -21.626 0.029 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.858 -20.441 0.967 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.866 -19.255 0.015 1.00 0.00 C ATOM 0 HA PRO A 814 -5.083 -21.679 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -5.016 -22.557 0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.600 -21.777 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.793 -20.521 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -4.058 -20.364 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.499 -18.454 0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.864 -18.842 -0.100 1.00 0.00 H new ATOM 1026 N LYS A 815 -7.224 -22.908 -1.485 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.575 -23.490 -1.405 1.00 0.00 C ATOM 1028 C LYS A 815 -8.889 -24.166 -0.052 1.00 0.00 C ATOM 1029 O LYS A 815 -10.055 -24.307 0.333 1.00 0.00 O ATOM 1030 CB LYS A 815 -8.727 -24.500 -2.563 1.00 0.00 C ATOM 1031 CG LYS A 815 -7.922 -25.800 -2.356 1.00 0.00 C ATOM 1032 CD LYS A 815 -7.915 -26.720 -3.576 1.00 0.00 C ATOM 1033 CE LYS A 815 -9.328 -27.191 -3.950 1.00 0.00 C ATOM 1034 NZ LYS A 815 -9.306 -28.126 -5.104 1.00 0.00 N ATOM 0 H LYS A 815 -6.529 -23.545 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.294 -22.675 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -9.781 -24.750 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -8.406 -24.027 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -6.894 -25.543 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.336 -26.342 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -7.472 -26.196 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -7.286 -27.587 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -9.787 -27.682 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -9.948 -26.328 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -10.277 -28.423 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -8.890 -27.649 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -8.735 -28.961 -4.863 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.854 -24.656 0.639 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.970 -25.605 1.751 1.00 0.00 C ATOM 1050 C LYS A 816 -8.339 -24.926 3.086 1.00 0.00 C ATOM 1051 O LYS A 816 -7.944 -23.793 3.347 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.683 -26.460 1.817 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.364 -25.715 2.116 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.999 -25.613 3.601 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.652 -26.979 4.214 1.00 0.00 C ATOM 1056 NZ LYS A 816 -4.591 -26.898 5.693 1.00 0.00 N ATOM 0 H LYS A 816 -6.889 -24.397 0.435 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.810 -26.273 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.822 -27.224 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.571 -26.979 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.552 -26.220 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.432 -24.708 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.150 -24.939 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.833 -25.174 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -5.399 -27.715 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.694 -27.323 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -4.240 -27.799 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.948 -26.130 5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -5.542 -26.708 6.070 1.00 0.00 H new ATOM 1070 N HIS A 817 -9.079 -25.611 3.958 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.362 -25.142 5.323 1.00 0.00 C ATOM 1072 C HIS A 817 -8.200 -25.459 6.287 1.00 0.00 C ATOM 1073 O HIS A 817 -7.352 -26.310 6.005 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.691 -25.749 5.800 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.923 -25.160 5.147 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -12.102 -24.833 3.816 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -13.091 -24.842 5.790 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.344 -24.337 3.669 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.994 -24.324 4.851 1.00 0.00 N ATOM 0 H HIS A 817 -9.503 -26.513 3.740 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.458 -24.056 5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.674 -26.822 5.611 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.769 -25.617 6.879 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -13.284 -24.969 6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.763 -23.996 2.734 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.946 -24.003 5.026 1.00 0.00 H new ATOM 1087 N CYS A 818 -8.146 -24.768 7.428 1.00 0.00 N ATOM 1088 CA CYS A 818 -7.075 -24.876 8.421 1.00 0.00 C ATOM 1089 C CYS A 818 -6.948 -26.289 9.024 1.00 0.00 C ATOM 1090 O CYS A 818 -7.932 -26.954 9.352 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.342 -23.814 9.491 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.984 -23.751 10.702 1.00 0.00 S ATOM 0 H CYS A 818 -8.868 -24.098 7.694 1.00 0.00 H new ATOM 0 HA CYS A 818 -6.113 -24.702 7.939 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.458 -22.838 9.019 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.279 -24.035 10.002 1.00 0.00 H new ATOM 1097 N SER A 819 -5.709 -26.736 9.209 1.00 0.00 N ATOM 1098 CA SER A 819 -5.379 -28.009 9.865 1.00 0.00 C ATOM 1099 C SER A 819 -5.422 -27.921 11.404 1.00 0.00 C ATOM 1100 O SER A 819 -5.461 -28.961 12.077 1.00 0.00 O ATOM 1101 CB SER A 819 -3.963 -28.455 9.448 1.00 0.00 C ATOM 1102 OG SER A 819 -3.799 -28.487 8.034 1.00 0.00 O ATOM 0 H SER A 819 -4.886 -26.217 8.903 1.00 0.00 H new ATOM 0 HA SER A 819 -6.134 -28.728 9.546 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.229 -27.776 9.881 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.762 -29.445 9.857 1.00 0.00 H new ATOM 0 HG SER A 819 -2.887 -28.773 7.817 1.00 0.00 H new ATOM 1108 N THR A 820 -5.390 -26.703 11.966 1.00 0.00 N ATOM 1109 CA THR A 820 -5.191 -26.440 13.399 1.00 0.00 C ATOM 1110 C THR A 820 -6.491 -26.047 14.103 1.00 0.00 C ATOM 1111 O THR A 820 -6.684 -26.471 15.246 1.00 0.00 O ATOM 1112 CB THR A 820 -4.108 -25.357 13.563 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.914 -25.816 12.960 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.792 -25.021 15.019 1.00 0.00 C ATOM 0 H THR A 820 -5.505 -25.849 11.420 1.00 0.00 H new ATOM 0 HA THR A 820 -4.859 -27.360 13.879 1.00 0.00 H new ATOM 0 HB THR A 820 -4.497 -24.454 13.093 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.216 -25.135 13.056 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.021 -24.251 15.056 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.693 -24.656 15.512 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.436 -25.916 15.530 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.384 -25.289 13.447 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.666 -24.839 14.018 1.00 0.00 C ATOM 1124 C CYS A 821 -9.914 -25.097 13.134 1.00 0.00 C ATOM 1125 O CYS A 821 -11.046 -25.052 13.631 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.541 -23.375 14.457 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.438 -22.200 13.064 1.00 0.00 S ATOM 0 H CYS A 821 -7.235 -24.966 12.491 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.856 -25.466 14.889 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.399 -23.116 15.077 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.653 -23.266 15.080 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.726 -25.433 11.849 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.746 -26.034 10.972 1.00 0.00 C ATOM 1134 C GLY A 822 -11.529 -25.063 10.093 1.00 0.00 C ATOM 1135 O GLY A 822 -12.280 -25.525 9.232 1.00 0.00 O ATOM 0 H GLY A 822 -8.834 -25.290 11.376 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.257 -26.764 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.454 -26.582 11.594 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.387 -23.746 10.289 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.091 -22.715 9.511 1.00 0.00 C ATOM 1141 C LEU A 823 -11.313 -22.273 8.248 1.00 0.00 C ATOM 1142 O LEU A 823 -10.312 -22.889 7.874 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.509 -21.563 10.461 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.418 -20.884 11.322 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.231 -20.354 10.508 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.057 -19.734 12.117 1.00 0.00 C ATOM 0 H LEU A 823 -10.770 -23.359 11.004 1.00 0.00 H new ATOM 0 HA LEU A 823 -13.005 -23.136 9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.983 -20.790 9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.271 -21.951 11.137 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.013 -21.647 11.987 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.507 -19.892 11.179 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.757 -21.179 9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.584 -19.614 9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.297 -19.248 12.728 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.486 -19.008 11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.842 -20.129 12.761 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.777 -21.203 7.592 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.172 -20.605 6.401 1.00 0.00 C ATOM 1160 C PHE A 824 -11.086 -19.076 6.564 1.00 0.00 C ATOM 1161 O PHE A 824 -12.055 -18.352 6.324 1.00 0.00 O ATOM 1162 CB PHE A 824 -12.011 -21.024 5.182 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.423 -20.619 3.847 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.446 -21.426 3.235 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.862 -19.445 3.202 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.906 -21.059 1.989 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -11.321 -19.078 1.955 1.00 0.00 C ATOM 1168 CZ PHE A 824 -10.342 -19.886 1.348 1.00 0.00 C ATOM 0 H PHE A 824 -12.619 -20.711 7.891 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.151 -20.958 6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.135 -22.107 5.197 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -13.006 -20.588 5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.110 -22.329 3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.615 -18.825 3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.155 -21.680 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.657 -18.177 1.465 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.926 -19.606 0.391 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.923 -18.584 7.015 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.650 -17.162 7.319 1.00 0.00 C ATOM 1180 C LYS A 825 -8.223 -16.736 6.886 1.00 0.00 C ATOM 1181 O LYS A 825 -7.568 -15.921 7.541 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.918 -16.887 8.820 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.383 -16.958 9.276 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.260 -15.842 8.680 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.691 -15.956 9.221 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.569 -14.890 8.683 1.00 0.00 N ATOM 0 H LYS A 825 -9.115 -19.182 7.186 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.331 -16.546 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.342 -17.603 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.533 -15.896 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.798 -17.926 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.421 -16.899 10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.843 -14.867 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.266 -15.914 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.102 -16.931 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.674 -15.898 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.527 -15.001 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -14.191 -13.960 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.606 -14.961 7.646 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.710 -17.310 5.790 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.369 -17.035 5.261 1.00 0.00 C ATOM 1202 C TRP A 826 -6.166 -15.564 4.858 1.00 0.00 C ATOM 1203 O TRP A 826 -6.991 -14.968 4.160 1.00 0.00 O ATOM 1204 CB TRP A 826 -6.090 -17.955 4.060 1.00 0.00 C ATOM 1205 CG TRP A 826 -6.036 -19.413 4.381 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.918 -20.335 3.946 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -5.074 -20.142 5.206 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.570 -21.575 4.431 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.453 -21.514 5.237 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.914 -19.778 5.927 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.736 -22.473 5.975 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.188 -20.732 6.666 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.600 -22.075 6.705 1.00 0.00 C ATOM 0 H TRP A 826 -8.227 -17.992 5.235 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.661 -17.236 6.065 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.863 -17.792 3.309 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -5.142 -17.662 3.610 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.769 -20.131 3.313 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -7.077 -22.435 4.220 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.579 -18.751 5.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -5.054 -23.505 5.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.305 -20.428 7.209 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -3.049 -22.796 7.291 1.00 0.00 H new ATOM 1224 N GLU A 827 -5.025 -14.999 5.259 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.539 -13.672 4.879 1.00 0.00 C ATOM 1226 C GLU A 827 -3.190 -13.815 4.161 1.00 0.00 C ATOM 1227 O GLU A 827 -2.324 -14.559 4.624 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.366 -12.833 6.158 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.887 -11.392 5.917 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.940 -10.544 5.185 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -4.931 -10.525 3.930 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.784 -9.898 5.853 1.00 0.00 O ATOM 0 H GLU A 827 -4.383 -15.480 5.889 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.247 -13.183 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.318 -12.802 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.653 -13.335 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.648 -10.926 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -2.967 -11.410 5.332 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.992 -13.101 3.050 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.715 -13.085 2.320 1.00 0.00 C ATOM 1241 C ARG A 828 -0.622 -12.416 3.167 1.00 0.00 C ATOM 1242 O ARG A 828 -0.816 -11.310 3.680 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.896 -12.411 0.952 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.598 -12.391 0.129 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.845 -11.820 -1.273 1.00 0.00 C ATOM 1246 NE ARG A 828 0.407 -11.376 -1.916 1.00 0.00 N ATOM 1247 CZ ARG A 828 1.041 -10.230 -1.716 1.00 0.00 C ATOM 1248 NH1 ARG A 828 0.624 -9.323 -0.859 1.00 0.00 N ATOM 1249 NH2 ARG A 828 2.127 -9.985 -2.408 1.00 0.00 N ATOM 0 H ARG A 828 -3.712 -12.515 2.628 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.390 -14.109 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.670 -12.936 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.246 -11.389 1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.153 -11.791 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.198 -13.402 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -1.323 -12.577 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -1.536 -10.980 -1.206 1.00 0.00 H new ATOM 0 HE ARG A 828 0.829 -12.020 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -0.222 -9.488 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 828 1.147 -8.455 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 828 2.467 -10.670 -3.083 1.00 0.00 H new ATOM 0 HH22 ARG A 828 2.632 -9.109 -2.271 1.00 0.00 H new ATOM 1263 N VAL A 829 0.535 -13.067 3.269 1.00 0.00 N ATOM 1264 CA VAL A 829 1.754 -12.584 3.950 1.00 0.00 C ATOM 1265 C VAL A 829 2.982 -12.788 3.044 1.00 0.00 C ATOM 1266 O VAL A 829 2.894 -13.446 2.006 1.00 0.00 O ATOM 1267 CB VAL A 829 1.960 -13.245 5.339 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.838 -12.866 6.319 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.087 -14.776 5.284 1.00 0.00 C ATOM 0 H VAL A 829 0.663 -13.993 2.861 1.00 0.00 H new ATOM 0 HA VAL A 829 1.627 -11.518 4.136 1.00 0.00 H new ATOM 0 HB VAL A 829 2.911 -12.851 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.017 -13.348 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.821 -11.784 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.121 -13.197 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.229 -15.166 6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.180 -15.201 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 829 2.943 -15.048 4.666 1.00 0.00 H new ATOM 1279 N GLY A 830 4.130 -12.213 3.421 1.00 0.00 N ATOM 1280 CA GLY A 830 5.380 -12.257 2.643 1.00 0.00 C ATOM 1281 C GLY A 830 6.402 -13.274 3.141 1.00 0.00 C ATOM 1282 O GLY A 830 6.406 -13.623 4.323 1.00 0.00 O ATOM 0 H GLY A 830 4.221 -11.692 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.138 -12.483 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.836 -11.267 2.656 1.00 0.00 H new ATOM 1286 N MET A 831 7.321 -13.666 2.250 1.00 0.00 N ATOM 1287 CA MET A 831 8.532 -14.445 2.547 1.00 0.00 C ATOM 1288 C MET A 831 9.586 -14.364 1.429 1.00 0.00 C ATOM 1289 O MET A 831 9.282 -14.283 0.239 1.00 0.00 O ATOM 1290 CB MET A 831 8.215 -15.886 3.004 1.00 0.00 C ATOM 1291 CG MET A 831 9.429 -16.666 3.509 1.00 0.00 C ATOM 1292 SD MET A 831 9.033 -18.329 4.110 1.00 0.00 S ATOM 1293 CE MET A 831 10.724 -18.901 4.419 1.00 0.00 C ATOM 0 H MET A 831 7.238 -13.440 1.259 1.00 0.00 H new ATOM 0 HA MET A 831 9.000 -13.968 3.408 1.00 0.00 H new ATOM 0 HB2 MET A 831 7.467 -15.847 3.796 1.00 0.00 H new ATOM 0 HB3 MET A 831 7.769 -16.429 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 831 10.159 -16.745 2.703 1.00 0.00 H new ATOM 0 HG3 MET A 831 9.902 -16.102 4.313 1.00 0.00 H new ATOM 0 HE1 MET A 831 10.695 -19.846 4.962 1.00 0.00 H new ATOM 0 HE2 MET A 831 11.239 -19.044 3.469 1.00 0.00 H new ATOM 0 HE3 MET A 831 11.257 -18.158 5.012 1.00 0.00 H new ATOM 1303 N LEU A 832 10.860 -14.338 1.823 1.00 0.00 N ATOM 1304 CA LEU A 832 11.999 -13.993 0.963 1.00 0.00 C ATOM 1305 C LEU A 832 13.267 -14.721 1.434 1.00 0.00 C ATOM 1306 O LEU A 832 13.196 -15.912 1.739 1.00 0.00 O ATOM 1307 CB LEU A 832 12.059 -12.458 0.724 1.00 0.00 C ATOM 1308 CG LEU A 832 11.950 -11.439 1.887 1.00 0.00 C ATOM 1309 CD1 LEU A 832 10.540 -11.362 2.505 1.00 0.00 C ATOM 1310 CD2 LEU A 832 12.997 -11.642 2.991 1.00 0.00 C ATOM 0 H LEU A 832 11.139 -14.563 2.778 1.00 0.00 H new ATOM 0 HA LEU A 832 11.878 -14.375 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 832 13.002 -12.256 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 832 11.261 -12.218 0.021 1.00 0.00 H new ATOM 0 HG LEU A 832 12.160 -10.482 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 832 10.536 -10.630 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 832 9.823 -11.063 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 832 10.262 -12.339 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 832 12.856 -10.891 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 832 12.883 -12.637 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 832 13.996 -11.542 2.567 1.00 0.00 H new ATOM 1322 N LYS A 833 14.425 -14.062 1.471 1.00 0.00 N ATOM 1323 CA LYS A 833 15.743 -14.690 1.705 1.00 0.00 C ATOM 1324 C LYS A 833 15.998 -15.233 3.133 1.00 0.00 C ATOM 1325 O LYS A 833 17.047 -15.831 3.395 1.00 0.00 O ATOM 1326 CB LYS A 833 16.852 -13.701 1.286 1.00 0.00 C ATOM 1327 CG LYS A 833 16.770 -13.186 -0.167 1.00 0.00 C ATOM 1328 CD LYS A 833 16.732 -14.282 -1.247 1.00 0.00 C ATOM 1329 CE LYS A 833 17.931 -15.238 -1.147 1.00 0.00 C ATOM 1330 NZ LYS A 833 17.953 -16.216 -2.262 1.00 0.00 N ATOM 0 H LYS A 833 14.483 -13.053 1.337 1.00 0.00 H new ATOM 0 HA LYS A 833 15.754 -15.588 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 833 16.823 -12.844 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 833 17.818 -14.185 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 833 15.878 -12.568 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 833 17.628 -12.541 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 833 15.807 -14.851 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 833 16.721 -13.818 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 833 18.856 -14.662 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 833 17.892 -15.771 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 18.777 -16.842 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 17.082 -16.784 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 18.016 -15.709 -3.168 1.00 0.00 H new ATOM 1344 N GLU A 834 15.053 -15.038 4.051 1.00 0.00 N ATOM 1345 CA GLU A 834 15.091 -15.549 5.430 1.00 0.00 C ATOM 1346 C GLU A 834 14.645 -17.020 5.518 1.00 0.00 C ATOM 1347 O GLU A 834 13.803 -17.463 4.742 1.00 0.00 O ATOM 1348 CB GLU A 834 14.265 -14.655 6.370 1.00 0.00 C ATOM 1349 CG GLU A 834 12.748 -14.675 6.115 1.00 0.00 C ATOM 1350 CD GLU A 834 12.031 -13.708 7.069 1.00 0.00 C ATOM 1351 OE1 GLU A 834 11.727 -14.102 8.223 1.00 0.00 O ATOM 1352 OE2 GLU A 834 11.757 -12.553 6.676 1.00 0.00 O ATOM 0 H GLU A 834 14.208 -14.502 3.853 1.00 0.00 H new ATOM 0 HA GLU A 834 16.130 -15.516 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 834 14.450 -14.965 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 834 14.621 -13.629 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 834 12.543 -14.395 5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 834 12.363 -15.685 6.254 1.00 0.00 H new ATOM 1359 N LYS A 835 15.201 -17.763 6.485 1.00 0.00 N ATOM 1360 CA LYS A 835 14.851 -19.145 6.881 1.00 0.00 C ATOM 1361 C LYS A 835 15.080 -20.222 5.803 1.00 0.00 C ATOM 1362 O LYS A 835 15.924 -21.105 5.992 1.00 0.00 O ATOM 1363 CB LYS A 835 13.410 -19.193 7.453 1.00 0.00 C ATOM 1364 CG LYS A 835 13.247 -18.486 8.816 1.00 0.00 C ATOM 1365 CD LYS A 835 13.963 -19.164 9.995 1.00 0.00 C ATOM 1366 CE LYS A 835 13.463 -20.596 10.241 1.00 0.00 C ATOM 1367 NZ LYS A 835 14.082 -21.206 11.446 1.00 0.00 N ATOM 0 H LYS A 835 15.962 -17.393 7.055 1.00 0.00 H new ATOM 0 HA LYS A 835 15.562 -19.412 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 835 12.730 -18.734 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 835 13.107 -20.235 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 835 13.619 -17.465 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 835 12.184 -18.419 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 835 15.035 -19.185 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 835 13.814 -18.570 10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 835 12.379 -20.586 10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 835 13.685 -21.212 9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 13.879 -22.226 11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 15.111 -21.058 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 13.690 -20.762 12.301 1.00 0.00 H new ATOM 1381 N THR A 836 14.311 -20.174 4.706 1.00 0.00 N ATOM 1382 CA THR A 836 14.209 -21.095 3.539 1.00 0.00 C ATOM 1383 C THR A 836 13.566 -22.442 3.878 1.00 0.00 C ATOM 1384 O THR A 836 12.700 -22.907 3.134 1.00 0.00 O ATOM 1385 CB THR A 836 15.520 -21.271 2.747 1.00 0.00 C ATOM 1386 OG1 THR A 836 16.458 -22.074 3.426 1.00 0.00 O ATOM 1387 CG2 THR A 836 16.185 -19.937 2.386 1.00 0.00 C ATOM 0 H THR A 836 13.661 -19.396 4.591 1.00 0.00 H new ATOM 0 HA THR A 836 13.525 -20.579 2.865 1.00 0.00 H new ATOM 0 HB THR A 836 15.219 -21.772 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 836 16.426 -21.874 4.385 1.00 0.00 H new ATOM 0 HG21 THR A 836 17.103 -20.127 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 836 15.505 -19.346 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 836 16.421 -19.389 3.298 1.00 0.00 H new ATOM 1395 N GLY A 837 13.919 -23.026 5.024 1.00 0.00 N ATOM 1396 CA GLY A 837 13.244 -24.150 5.690 1.00 0.00 C ATOM 1397 C GLY A 837 13.016 -23.871 7.189 1.00 0.00 C ATOM 1398 O GLY A 837 13.459 -22.826 7.683 1.00 0.00 O ATOM 0 H GLY A 837 14.735 -22.710 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 837 12.286 -24.338 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 837 13.842 -25.054 5.575 1.00 0.00 H new ATOM 1402 N PRO A 838 12.365 -24.788 7.932 1.00 0.00 N ATOM 1403 CA PRO A 838 12.073 -24.622 9.355 1.00 0.00 C ATOM 1404 C PRO A 838 13.323 -24.741 10.243 1.00 0.00 C ATOM 1405 O PRO A 838 13.359 -24.174 11.333 1.00 0.00 O ATOM 1406 CB PRO A 838 11.048 -25.718 9.680 1.00 0.00 C ATOM 1407 CG PRO A 838 11.388 -26.830 8.687 1.00 0.00 C ATOM 1408 CD PRO A 838 11.821 -26.050 7.442 1.00 0.00 C ATOM 0 HA PRO A 838 11.692 -23.621 9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 838 11.139 -26.059 10.711 1.00 0.00 H new ATOM 0 HB3 PRO A 838 10.026 -25.363 9.550 1.00 0.00 H new ATOM 0 HG2 PRO A 838 12.185 -27.475 9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 838 10.529 -27.469 8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 838 12.569 -26.604 6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 838 10.976 -25.879 6.775 1.00 0.00 H new ATOM 1416 N LYS A 839 14.365 -25.427 9.758 1.00 0.00 N ATOM 1417 CA LYS A 839 15.648 -25.645 10.445 1.00 0.00 C ATOM 1418 C LYS A 839 16.831 -25.741 9.454 1.00 0.00 C ATOM 1419 O LYS A 839 16.640 -25.999 8.260 1.00 0.00 O ATOM 1420 CB LYS A 839 15.540 -26.892 11.354 1.00 0.00 C ATOM 1421 CG LYS A 839 15.371 -28.212 10.577 1.00 0.00 C ATOM 1422 CD LYS A 839 15.256 -29.439 11.495 1.00 0.00 C ATOM 1423 CE LYS A 839 13.965 -29.428 12.327 1.00 0.00 C ATOM 1424 NZ LYS A 839 13.829 -30.661 13.142 1.00 0.00 N ATOM 0 H LYS A 839 14.338 -25.865 8.837 1.00 0.00 H new ATOM 0 HA LYS A 839 15.861 -24.778 11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 839 16.434 -26.957 11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 839 14.693 -26.767 12.029 1.00 0.00 H new ATOM 0 HG2 LYS A 839 14.480 -28.148 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 839 16.221 -28.344 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 839 15.288 -30.346 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 839 16.116 -29.471 12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 839 13.961 -28.556 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 839 13.105 -29.333 11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 12.946 -30.619 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 13.808 -31.491 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 14.637 -30.738 13.792 1.00 0.00 H new ATOM 1438 N LEU A 840 18.052 -25.530 9.951 1.00 0.00 N ATOM 1439 CA LEU A 840 19.304 -25.574 9.181 1.00 0.00 C ATOM 1440 C LEU A 840 19.877 -27.004 9.125 1.00 0.00 C ATOM 1441 O LEU A 840 19.768 -27.765 10.090 1.00 0.00 O ATOM 1442 CB LEU A 840 20.267 -24.534 9.799 1.00 0.00 C ATOM 1443 CG LEU A 840 21.573 -24.291 9.001 1.00 0.00 C ATOM 1444 CD1 LEU A 840 21.982 -22.812 9.065 1.00 0.00 C ATOM 1445 CD2 LEU A 840 22.747 -25.138 9.530 1.00 0.00 C ATOM 0 H LEU A 840 18.205 -25.316 10.936 1.00 0.00 H new ATOM 0 HA LEU A 840 19.136 -25.309 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 840 19.738 -23.586 9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 840 20.530 -24.859 10.806 1.00 0.00 H new ATOM 0 HG LEU A 840 21.361 -24.584 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 840 22.901 -22.664 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 840 21.190 -22.197 8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 840 22.146 -22.524 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 840 23.639 -24.933 8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 840 22.937 -24.885 10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 840 22.496 -26.196 9.453 1.00 0.00 H new ATOM 1457 N GLY A 841 20.508 -27.351 7.998 1.00 0.00 N ATOM 1458 CA GLY A 841 21.146 -28.657 7.755 1.00 0.00 C ATOM 1459 C GLY A 841 20.184 -29.716 7.196 1.00 0.00 C ATOM 1460 O GLY A 841 18.990 -29.457 7.000 1.00 0.00 O ATOM 0 H GLY A 841 20.593 -26.715 7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 841 21.972 -28.524 7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 841 21.573 -29.023 8.689 1.00 0.00 H new ATOM 1464 N GLY A 842 20.724 -30.910 6.917 1.00 0.00 N ATOM 1465 CA GLY A 842 20.014 -32.057 6.328 1.00 0.00 C ATOM 1466 C GLY A 842 20.917 -33.270 6.121 1.00 0.00 C ATOM 1467 O GLY A 842 20.881 -34.188 6.972 1.00 0.00 O ATOM 1468 OXT GLY A 842 21.663 -33.292 5.113 1.00 0.00 O ATOM 0 H GLY A 842 21.706 -31.113 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 842 19.183 -32.335 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 842 19.586 -31.761 5.370 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.105 -35.574 -11.986 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.350 -21.725 11.961 1.00 0.00 ZN