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= 1.99 K(o=2.4,f=-1.9) USER MOD Set 1.2: A 819 SER OG : rot 180:sc= 0.409 USER MOD Set 1.3: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 807 THR OG1 : rot 130:sc= 0.933 USER MOD Set 2.2: A 816 LYS NZ :NH3+ -158:sc= 1.68 (180deg=0.171) USER MOD Set 3.1: A 775 HIS : no HE2:sc= 1.16 K(o=2,f=-5.2) USER MOD Set 3.2: A 815 LYS NZ :NH3+ -133:sc= 0.81 (180deg=0) USER MOD Set 4.1: A 767 THR OG1 : rot -73:sc= 0.65 USER MOD Set 4.2: A 774 THR OG1 : rot 180:sc= 0.589 USER MOD Set 5.1: A -2 MET CE :methyl 176:sc= 0 (180deg=-0.0261) USER MOD Set 5.2: A 757 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -127:sc= 0.0764 (180deg=0) USER MOD Single : A 755 MET CE :methyl -174:sc= 0 (180deg=-0.0529) USER MOD Single : A 756 GLN : amide:sc= 0 X(o=0,f=0) 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 763 CYS SG : 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 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.26) USER MOD Single : A 773 TYR OH : rot 180:sc= 0 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= 0.013 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 790 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 792 HIS : no HE2:sc= 0.0165 K(o=0.017,f=-0.51) USER MOD Single : A 793 ASN : amide:sc= 0.0414 X(o=0.041,f=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 800 LYS NZ :NH3+ -175:sc= 0.538 (180deg=0.507) USER MOD Single : A 809 SER OG : rot 180:sc= 0.163 USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=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 USER MOD Single : A 839 LYS NZ :NH3+ 178:sc= 0.999 (180deg=0.996) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 9.012 -1.574 9.100 1.00 0.00 N ATOM 2 CA GLY A -4 8.045 -1.284 8.015 1.00 0.00 C ATOM 3 C GLY A -4 8.074 -2.343 6.914 1.00 0.00 C ATOM 4 O GLY A -4 8.554 -3.460 7.161 1.00 0.00 O ATOM 0 H1 GLY A -4 8.520 -1.562 10.016 1.00 0.00 H new ATOM 0 H2 GLY A -4 9.435 -2.511 8.946 1.00 0.00 H new ATOM 0 H3 GLY A -4 9.761 -0.852 9.100 1.00 0.00 H new ATOM 0 HA2 GLY A -4 7.040 -1.225 8.433 1.00 0.00 H new ATOM 0 HA3 GLY A -4 8.268 -0.308 7.584 1.00 0.00 H new ATOM 10 N PRO A -3 7.560 -2.031 5.707 1.00 0.00 N ATOM 11 CA PRO A -3 7.540 -2.946 4.563 1.00 0.00 C ATOM 12 C PRO A -3 8.927 -3.097 3.919 1.00 0.00 C ATOM 13 O PRO A -3 9.870 -2.367 4.248 1.00 0.00 O ATOM 14 CB PRO A -3 6.524 -2.333 3.590 1.00 0.00 C ATOM 15 CG PRO A -3 6.678 -0.834 3.838 1.00 0.00 C ATOM 16 CD PRO A -3 6.933 -0.766 5.344 1.00 0.00 C ATOM 0 HA PRO A -3 7.262 -3.957 4.860 1.00 0.00 H new ATOM 0 HB2 PRO A -3 6.745 -2.596 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A -3 5.510 -2.675 3.796 1.00 0.00 H new ATOM 0 HG2 PRO A -3 7.506 -0.412 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A -3 5.782 -0.283 3.554 1.00 0.00 H new ATOM 0 HD2 PRO A -3 7.581 0.075 5.592 1.00 0.00 H new ATOM 0 HD3 PRO A -3 6.001 -0.622 5.891 1.00 0.00 H new ATOM 24 N MET A -2 9.044 -4.025 2.961 1.00 0.00 N ATOM 25 CA MET A -2 10.282 -4.296 2.198 1.00 0.00 C ATOM 26 C MET A -2 10.653 -3.181 1.198 1.00 0.00 C ATOM 27 O MET A -2 11.756 -3.191 0.637 1.00 0.00 O ATOM 28 CB MET A -2 10.145 -5.653 1.485 1.00 0.00 C ATOM 29 CG MET A -2 10.041 -6.816 2.489 1.00 0.00 C ATOM 30 SD MET A -2 9.692 -8.446 1.769 1.00 0.00 S ATOM 31 CE MET A -2 11.227 -8.739 0.861 1.00 0.00 C ATOM 0 H MET A -2 8.267 -4.625 2.684 1.00 0.00 H new ATOM 0 HA MET A -2 11.105 -4.325 2.913 1.00 0.00 H new ATOM 0 HB2 MET A -2 9.260 -5.642 0.848 1.00 0.00 H new ATOM 0 HB3 MET A -2 11.005 -5.810 0.834 1.00 0.00 H new ATOM 0 HG2 MET A -2 10.977 -6.877 3.045 1.00 0.00 H new ATOM 0 HG3 MET A -2 9.257 -6.582 3.209 1.00 0.00 H new ATOM 0 HE1 MET A -2 11.203 -9.735 0.418 1.00 0.00 H new ATOM 0 HE2 MET A -2 11.332 -7.993 0.073 1.00 0.00 H new ATOM 0 HE3 MET A -2 12.073 -8.666 1.544 1.00 0.00 H new ATOM 41 N GLY A -1 9.764 -2.202 0.977 1.00 0.00 N ATOM 42 CA GLY A -1 10.003 -0.999 0.167 1.00 0.00 C ATOM 43 C GLY A -1 9.963 -1.267 -1.338 1.00 0.00 C ATOM 44 O GLY A -1 9.345 -2.223 -1.803 1.00 0.00 O ATOM 0 H GLY A -1 8.824 -2.227 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.254 -0.247 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A -1 10.974 -0.580 0.429 1.00 0.00 H new ATOM 48 N MET A 755 10.634 -0.402 -2.106 1.00 0.00 N ATOM 49 CA MET A 755 10.770 -0.529 -3.571 1.00 0.00 C ATOM 50 C MET A 755 11.978 -1.392 -3.995 1.00 0.00 C ATOM 51 O MET A 755 12.081 -1.761 -5.167 1.00 0.00 O ATOM 52 CB MET A 755 10.871 0.875 -4.195 1.00 0.00 C ATOM 53 CG MET A 755 9.596 1.703 -3.960 1.00 0.00 C ATOM 54 SD MET A 755 9.566 3.326 -4.771 1.00 0.00 S ATOM 55 CE MET A 755 10.823 4.184 -3.783 1.00 0.00 C ATOM 0 H MET A 755 11.106 0.419 -1.728 1.00 0.00 H new ATOM 0 HA MET A 755 9.882 -1.044 -3.938 1.00 0.00 H new ATOM 0 HB2 MET A 755 11.727 1.400 -3.771 1.00 0.00 H new ATOM 0 HB3 MET A 755 11.052 0.784 -5.266 1.00 0.00 H new ATOM 0 HG2 MET A 755 8.739 1.126 -4.307 1.00 0.00 H new ATOM 0 HG3 MET A 755 9.470 1.849 -2.887 1.00 0.00 H new ATOM 0 HE1 MET A 755 10.861 5.234 -4.075 1.00 0.00 H new ATOM 0 HE2 MET A 755 10.568 4.110 -2.726 1.00 0.00 H new ATOM 0 HE3 MET A 755 11.796 3.724 -3.954 1.00 0.00 H new ATOM 65 N GLN A 756 12.894 -1.706 -3.067 1.00 0.00 N ATOM 66 CA GLN A 756 14.133 -2.445 -3.343 1.00 0.00 C ATOM 67 C GLN A 756 13.905 -3.971 -3.438 1.00 0.00 C ATOM 68 O GLN A 756 14.638 -4.660 -4.143 1.00 0.00 O ATOM 69 CB GLN A 756 15.172 -2.095 -2.256 1.00 0.00 C ATOM 70 CG GLN A 756 16.563 -2.677 -2.549 1.00 0.00 C ATOM 71 CD GLN A 756 17.620 -2.147 -1.574 1.00 0.00 C ATOM 72 OE1 GLN A 756 18.433 -1.290 -1.897 1.00 0.00 O ATOM 73 NE2 GLN A 756 17.657 -2.630 -0.347 1.00 0.00 N ATOM 0 H GLN A 756 12.792 -1.448 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 756 14.507 -2.142 -4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 756 15.248 -1.011 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 756 14.823 -2.468 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 756 16.523 -3.764 -2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 756 16.853 -2.428 -3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 756 16.988 -3.344 -0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 756 18.355 -2.289 0.314 1.00 0.00 H new ATOM 82 N SER A 757 12.881 -4.513 -2.774 1.00 0.00 N ATOM 83 CA SER A 757 12.551 -5.951 -2.768 1.00 0.00 C ATOM 84 C SER A 757 11.061 -6.193 -2.457 1.00 0.00 C ATOM 85 O SER A 757 10.380 -5.334 -1.890 1.00 0.00 O ATOM 86 CB SER A 757 13.456 -6.694 -1.774 1.00 0.00 C ATOM 87 OG SER A 757 13.376 -8.101 -1.964 1.00 0.00 O ATOM 0 H SER A 757 12.239 -3.955 -2.210 1.00 0.00 H new ATOM 0 HA SER A 757 12.733 -6.346 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 757 14.487 -6.365 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 757 13.164 -6.444 -0.754 1.00 0.00 H new ATOM 0 HG SER A 757 13.962 -8.552 -1.321 1.00 0.00 H new ATOM 93 N ILE A 758 10.539 -7.369 -2.829 1.00 0.00 N ATOM 94 CA ILE A 758 9.129 -7.766 -2.674 1.00 0.00 C ATOM 95 C ILE A 758 9.066 -9.171 -2.030 1.00 0.00 C ATOM 96 O ILE A 758 9.953 -10.002 -2.256 1.00 0.00 O ATOM 97 CB ILE A 758 8.369 -7.709 -4.035 1.00 0.00 C ATOM 98 CG1 ILE A 758 8.538 -6.378 -4.815 1.00 0.00 C ATOM 99 CG2 ILE A 758 6.859 -7.916 -3.814 1.00 0.00 C ATOM 100 CD1 ILE A 758 9.735 -6.346 -5.778 1.00 0.00 C ATOM 0 H ILE A 758 11.106 -8.098 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 758 8.625 -7.059 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 758 8.815 -8.506 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 758 7.627 -6.187 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 758 8.644 -5.564 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 758 6.342 -7.874 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 758 6.689 -8.889 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 758 6.476 -7.132 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 758 9.774 -5.378 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 758 10.657 -6.502 -5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 758 9.625 -7.135 -6.522 1.00 0.00 H new ATOM 112 N ARG A 759 8.021 -9.435 -1.232 1.00 0.00 N ATOM 113 CA ARG A 759 7.880 -10.645 -0.404 1.00 0.00 C ATOM 114 C ARG A 759 7.763 -11.972 -1.174 1.00 0.00 C ATOM 115 O ARG A 759 8.112 -13.017 -0.626 1.00 0.00 O ATOM 116 CB ARG A 759 6.691 -10.452 0.555 1.00 0.00 C ATOM 117 CG ARG A 759 5.309 -10.499 -0.131 1.00 0.00 C ATOM 118 CD ARG A 759 4.195 -9.775 0.649 1.00 0.00 C ATOM 119 NE ARG A 759 4.413 -8.319 0.718 1.00 0.00 N ATOM 120 CZ ARG A 759 4.167 -7.417 -0.230 1.00 0.00 C ATOM 121 NH1 ARG A 759 3.669 -7.740 -1.406 1.00 0.00 N ATOM 122 NH2 ARG A 759 4.435 -6.152 0.003 1.00 0.00 N ATOM 0 H ARG A 759 7.230 -8.798 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 759 8.817 -10.750 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 759 6.729 -11.225 1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 759 6.800 -9.493 1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.392 -10.054 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.021 -11.541 -0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 759 3.234 -9.974 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 759 4.141 -10.180 1.660 1.00 0.00 H new ATOM 0 HE ARG A 759 4.797 -7.961 1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 759 3.456 -8.714 -1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 759 3.496 -7.016 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 759 4.827 -5.871 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 759 4.251 -5.451 -0.715 1.00 0.00 H new ATOM 136 N GLU A 760 7.265 -11.947 -2.411 1.00 0.00 N ATOM 137 CA GLU A 760 7.094 -13.117 -3.286 1.00 0.00 C ATOM 138 C GLU A 760 8.348 -13.404 -4.130 1.00 0.00 C ATOM 139 O GLU A 760 9.194 -12.523 -4.324 1.00 0.00 O ATOM 140 CB GLU A 760 5.847 -12.936 -4.172 1.00 0.00 C ATOM 141 CG GLU A 760 5.924 -11.759 -5.158 1.00 0.00 C ATOM 142 CD GLU A 760 4.525 -11.381 -5.648 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.883 -12.194 -6.355 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.031 -10.293 -5.273 1.00 0.00 O ATOM 0 H GLU A 760 6.957 -11.080 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 760 6.948 -13.990 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 760 5.682 -13.854 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 760 4.978 -12.797 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.391 -10.901 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 760 6.553 -12.028 -6.007 1.00 0.00 H new ATOM 151 N GLN A 761 8.485 -14.630 -4.642 1.00 0.00 N ATOM 152 CA GLN A 761 9.722 -15.092 -5.293 1.00 0.00 C ATOM 153 C GLN A 761 9.462 -16.113 -6.410 1.00 0.00 C ATOM 154 O GLN A 761 8.566 -16.951 -6.323 1.00 0.00 O ATOM 155 CB GLN A 761 10.701 -15.643 -4.238 1.00 0.00 C ATOM 156 CG GLN A 761 10.183 -16.902 -3.514 1.00 0.00 C ATOM 157 CD GLN A 761 11.072 -17.286 -2.332 1.00 0.00 C ATOM 158 OE1 GLN A 761 11.830 -18.251 -2.363 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.018 -16.543 -1.243 1.00 0.00 N ATOM 0 H GLN A 761 7.745 -15.332 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 761 10.178 -14.229 -5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.650 -15.876 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.902 -14.866 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.167 -16.726 -3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.137 -17.733 -4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.392 -15.738 -1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.602 -16.773 -0.439 1.00 0.00 H new ATOM 168 N SER A 762 10.265 -16.034 -7.471 1.00 0.00 N ATOM 169 CA SER A 762 10.154 -16.903 -8.651 1.00 0.00 C ATOM 170 C SER A 762 10.718 -18.317 -8.418 1.00 0.00 C ATOM 171 O SER A 762 11.651 -18.515 -7.635 1.00 0.00 O ATOM 172 CB SER A 762 10.897 -16.274 -9.842 1.00 0.00 C ATOM 173 OG SER A 762 10.495 -14.931 -10.086 1.00 0.00 O ATOM 0 H SER A 762 11.024 -15.355 -7.540 1.00 0.00 H new ATOM 0 HA SER A 762 9.088 -16.998 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 762 11.970 -16.300 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.717 -16.872 -10.735 1.00 0.00 H new ATOM 0 HG SER A 762 10.995 -14.574 -10.850 1.00 0.00 H new ATOM 179 N CYS A 763 10.195 -19.296 -9.166 1.00 0.00 N ATOM 180 CA CYS A 763 10.556 -20.714 -9.084 1.00 0.00 C ATOM 181 C CYS A 763 10.162 -21.495 -10.353 1.00 0.00 C ATOM 182 O CYS A 763 9.503 -20.950 -11.250 1.00 0.00 O ATOM 183 CB CYS A 763 9.923 -21.301 -7.801 1.00 0.00 C ATOM 184 SG CYS A 763 8.109 -21.158 -7.847 1.00 0.00 S ATOM 0 H CYS A 763 9.481 -19.114 -9.872 1.00 0.00 H new ATOM 0 HA CYS A 763 11.640 -20.811 -9.025 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.207 -22.348 -7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 763 10.311 -20.778 -6.927 1.00 0.00 H new ATOM 0 HG CYS A 763 7.606 -21.661 -6.759 1.00 0.00 H new ATOM 190 N ARG A 764 10.542 -22.773 -10.430 1.00 0.00 N ATOM 191 CA ARG A 764 9.995 -23.729 -11.406 1.00 0.00 C ATOM 192 C ARG A 764 8.750 -24.402 -10.808 1.00 0.00 C ATOM 193 O ARG A 764 8.733 -24.761 -9.629 1.00 0.00 O ATOM 194 CB ARG A 764 11.074 -24.750 -11.811 1.00 0.00 C ATOM 195 CG ARG A 764 10.788 -25.329 -13.205 1.00 0.00 C ATOM 196 CD ARG A 764 11.776 -26.420 -13.631 1.00 0.00 C ATOM 197 NE ARG A 764 11.553 -27.679 -12.891 1.00 0.00 N ATOM 198 CZ ARG A 764 12.051 -28.870 -13.196 1.00 0.00 C ATOM 199 NH1 ARG A 764 12.895 -29.050 -14.193 1.00 0.00 N ATOM 200 NH2 ARG A 764 11.700 -29.919 -12.486 1.00 0.00 N ATOM 0 H ARG A 764 11.244 -23.180 -9.813 1.00 0.00 H new ATOM 0 HA ARG A 764 9.693 -23.209 -12.315 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.053 -24.271 -11.806 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.110 -25.556 -11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.778 -25.740 -13.218 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.814 -24.522 -13.937 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.676 -26.604 -14.701 1.00 0.00 H new ATOM 0 HD3 ARG A 764 12.796 -26.074 -13.461 1.00 0.00 H new ATOM 0 HE ARG A 764 10.958 -27.627 -12.064 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.188 -28.256 -14.763 1.00 0.00 H new ATOM 0 HH12 ARG A 764 13.255 -29.983 -14.394 1.00 0.00 H new ATOM 0 HH21 ARG A 764 11.049 -29.813 -11.707 1.00 0.00 H new ATOM 0 HH22 ARG A 764 12.078 -30.839 -12.714 1.00 0.00 H new ATOM 214 N VAL A 765 7.706 -24.554 -11.616 1.00 0.00 N ATOM 215 CA VAL A 765 6.358 -25.016 -11.233 1.00 0.00 C ATOM 216 C VAL A 765 5.837 -26.027 -12.258 1.00 0.00 C ATOM 217 O VAL A 765 6.389 -26.142 -13.352 1.00 0.00 O ATOM 218 CB VAL A 765 5.374 -23.827 -11.096 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.819 -22.860 -9.986 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.194 -23.033 -12.397 1.00 0.00 C ATOM 0 H VAL A 765 7.772 -24.349 -12.613 1.00 0.00 H new ATOM 0 HA VAL A 765 6.430 -25.502 -10.260 1.00 0.00 H new ATOM 0 HB VAL A 765 4.415 -24.277 -10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.108 -22.037 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.856 -23.391 -9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.808 -22.466 -10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.493 -22.216 -12.230 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.156 -22.628 -12.712 1.00 0.00 H new ATOM 0 HG23 VAL A 765 4.806 -23.691 -13.174 1.00 0.00 H new ATOM 230 N VAL A 766 4.777 -26.758 -11.917 1.00 0.00 N ATOM 231 CA VAL A 766 4.260 -27.883 -12.714 1.00 0.00 C ATOM 232 C VAL A 766 2.733 -27.901 -12.753 1.00 0.00 C ATOM 233 O VAL A 766 2.082 -27.762 -11.713 1.00 0.00 O ATOM 234 CB VAL A 766 4.823 -29.225 -12.190 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.611 -29.457 -10.691 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.287 -30.445 -12.954 1.00 0.00 C ATOM 0 H VAL A 766 4.241 -26.587 -11.066 1.00 0.00 H new ATOM 0 HA VAL A 766 4.602 -27.745 -13.740 1.00 0.00 H new ATOM 0 HB VAL A 766 5.894 -29.127 -12.369 1.00 0.00 H new ATOM 0 HG11 VAL A 766 5.036 -30.420 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 766 5.102 -28.664 -10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.544 -29.452 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.720 -31.354 -12.538 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.202 -30.485 -12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.558 -30.363 -14.007 1.00 0.00 H new ATOM 246 N THR A 767 2.186 -28.128 -13.951 1.00 0.00 N ATOM 247 CA THR A 767 0.775 -28.454 -14.170 1.00 0.00 C ATOM 248 C THR A 767 0.670 -29.939 -14.483 1.00 0.00 C ATOM 249 O THR A 767 1.224 -30.387 -15.490 1.00 0.00 O ATOM 250 CB THR A 767 0.180 -27.643 -15.329 1.00 0.00 C ATOM 251 OG1 THR A 767 0.368 -26.263 -15.111 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.322 -27.877 -15.491 1.00 0.00 C ATOM 0 H THR A 767 2.726 -28.089 -14.816 1.00 0.00 H new ATOM 0 HA THR A 767 0.213 -28.204 -13.270 1.00 0.00 H new ATOM 0 HB THR A 767 0.697 -27.976 -16.229 1.00 0.00 H new ATOM 0 HG1 THR A 767 -0.236 -25.959 -14.402 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.695 -27.281 -16.324 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.506 -28.933 -15.689 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.837 -27.584 -14.576 1.00 0.00 H new ATOM 260 N CYS A 768 -0.065 -30.700 -13.668 1.00 0.00 N ATOM 261 CA CYS A 768 -0.513 -32.043 -14.035 1.00 0.00 C ATOM 262 C CYS A 768 -1.634 -31.905 -15.073 1.00 0.00 C ATOM 263 O CYS A 768 -2.682 -31.315 -14.796 1.00 0.00 O ATOM 264 CB CYS A 768 -0.968 -32.793 -12.775 1.00 0.00 C ATOM 265 SG CYS A 768 -1.410 -34.519 -13.188 1.00 0.00 S ATOM 0 H CYS A 768 -0.365 -30.403 -12.739 1.00 0.00 H new ATOM 0 HA CYS A 768 0.295 -32.626 -14.478 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.172 -32.783 -12.030 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.826 -32.287 -12.332 1.00 0.00 H new ATOM 270 N LYS A 769 -1.413 -32.395 -16.290 1.00 0.00 N ATOM 271 CA LYS A 769 -2.372 -32.309 -17.398 1.00 0.00 C ATOM 272 C LYS A 769 -3.530 -33.316 -17.250 1.00 0.00 C ATOM 273 O LYS A 769 -4.618 -33.087 -17.794 1.00 0.00 O ATOM 274 CB LYS A 769 -1.630 -32.491 -18.739 1.00 0.00 C ATOM 275 CG LYS A 769 -0.454 -31.517 -18.957 1.00 0.00 C ATOM 276 CD LYS A 769 -0.827 -30.027 -18.880 1.00 0.00 C ATOM 277 CE LYS A 769 -1.813 -29.633 -19.986 1.00 0.00 C ATOM 278 NZ LYS A 769 -2.136 -28.183 -19.950 1.00 0.00 N ATOM 0 H LYS A 769 -0.548 -32.873 -16.543 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.829 -31.320 -17.376 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.254 -33.513 -18.796 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.343 -32.368 -19.554 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.314 -31.724 -18.211 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -0.012 -31.716 -19.933 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.267 -29.812 -17.906 1.00 0.00 H new ATOM 0 HD3 LYS A 769 0.075 -29.421 -18.963 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -1.389 -29.886 -20.958 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -2.730 -30.212 -19.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -2.805 -27.957 -20.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -2.564 -27.945 -19.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -1.265 -27.630 -20.079 1.00 0.00 H new ATOM 292 N THR A 770 -3.329 -34.391 -16.475 1.00 0.00 N ATOM 293 CA THR A 770 -4.350 -35.402 -16.152 1.00 0.00 C ATOM 294 C THR A 770 -5.407 -34.829 -15.200 1.00 0.00 C ATOM 295 O THR A 770 -6.595 -34.955 -15.495 1.00 0.00 O ATOM 296 CB THR A 770 -3.668 -36.644 -15.564 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.668 -37.105 -16.449 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.646 -37.801 -15.330 1.00 0.00 C ATOM 0 H THR A 770 -2.427 -34.588 -16.042 1.00 0.00 H new ATOM 0 HA THR A 770 -4.871 -35.693 -17.064 1.00 0.00 H new ATOM 0 HB THR A 770 -3.249 -36.340 -14.605 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.234 -37.897 -16.068 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.109 -38.653 -14.913 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.423 -37.486 -14.633 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.103 -38.088 -16.277 1.00 0.00 H new ATOM 306 N CYS A 771 -4.991 -34.160 -14.118 1.00 0.00 N ATOM 307 CA CYS A 771 -5.887 -33.603 -13.084 1.00 0.00 C ATOM 308 C CYS A 771 -6.247 -32.107 -13.287 1.00 0.00 C ATOM 309 O CYS A 771 -7.240 -31.635 -12.728 1.00 0.00 O ATOM 310 CB CYS A 771 -5.198 -33.772 -11.721 1.00 0.00 C ATOM 311 SG CYS A 771 -4.873 -35.521 -11.293 1.00 0.00 S ATOM 0 H CYS A 771 -4.004 -33.985 -13.928 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.828 -34.149 -13.148 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.256 -33.224 -11.727 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.822 -33.325 -10.947 1.00 0.00 H new ATOM 316 N LYS A 772 -5.434 -31.374 -14.060 1.00 0.00 N ATOM 317 CA LYS A 772 -5.571 -29.959 -14.455 1.00 0.00 C ATOM 318 C LYS A 772 -5.250 -28.927 -13.336 1.00 0.00 C ATOM 319 O LYS A 772 -5.597 -27.748 -13.460 1.00 0.00 O ATOM 320 CB LYS A 772 -6.921 -29.679 -15.167 1.00 0.00 C ATOM 321 CG LYS A 772 -7.176 -30.552 -16.415 1.00 0.00 C ATOM 322 CD LYS A 772 -8.250 -31.624 -16.187 1.00 0.00 C ATOM 323 CE LYS A 772 -8.568 -32.419 -17.462 1.00 0.00 C ATOM 324 NZ LYS A 772 -7.513 -33.409 -17.791 1.00 0.00 N ATOM 0 H LYS A 772 -4.592 -31.787 -14.460 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.780 -29.799 -15.187 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.732 -29.836 -14.456 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -6.953 -28.630 -15.460 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.479 -29.912 -17.244 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.245 -31.035 -16.710 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.915 -32.310 -15.409 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -9.161 -31.149 -15.822 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -9.520 -32.935 -17.337 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -8.687 -31.728 -18.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -7.798 -33.954 -18.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -6.620 -32.913 -17.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -7.380 -34.055 -16.987 1.00 0.00 H new ATOM 338 N TYR A 773 -4.560 -29.328 -12.256 1.00 0.00 N ATOM 339 CA TYR A 773 -4.055 -28.410 -11.206 1.00 0.00 C ATOM 340 C TYR A 773 -2.595 -27.978 -11.461 1.00 0.00 C ATOM 341 O TYR A 773 -1.836 -28.701 -12.116 1.00 0.00 O ATOM 342 CB TYR A 773 -4.205 -29.032 -9.803 1.00 0.00 C ATOM 343 CG TYR A 773 -3.076 -29.961 -9.388 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.913 -29.446 -8.780 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.166 -31.337 -9.661 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.822 -30.294 -8.500 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.089 -32.195 -9.361 1.00 0.00 C ATOM 348 CZ TYR A 773 -0.905 -31.672 -8.794 1.00 0.00 C ATOM 349 OH TYR A 773 0.151 -32.491 -8.524 1.00 0.00 O ATOM 0 H TYR A 773 -4.332 -30.306 -12.080 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.670 -27.511 -11.251 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -4.281 -28.227 -9.072 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.143 -29.586 -9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.858 -28.397 -8.528 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.066 -31.739 -10.103 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.078 -29.889 -8.060 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.169 -33.253 -9.565 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.072 -33.409 -8.786 1.00 0.00 H new ATOM 359 N THR A 774 -2.184 -26.841 -10.872 1.00 0.00 N ATOM 360 CA THR A 774 -0.807 -26.306 -10.928 1.00 0.00 C ATOM 361 C THR A 774 -0.272 -26.063 -9.522 1.00 0.00 C ATOM 362 O THR A 774 -0.989 -25.532 -8.675 1.00 0.00 O ATOM 363 CB THR A 774 -0.763 -25.010 -11.756 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.392 -25.244 -12.998 1.00 0.00 O ATOM 365 CG2 THR A 774 0.659 -24.531 -12.052 1.00 0.00 C ATOM 0 H THR A 774 -2.815 -26.252 -10.329 1.00 0.00 H new ATOM 0 HA THR A 774 -0.170 -27.044 -11.415 1.00 0.00 H new ATOM 0 HB THR A 774 -1.265 -24.244 -11.166 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.372 -24.424 -13.535 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.619 -23.613 -12.639 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.181 -24.340 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.192 -25.298 -12.614 1.00 0.00 H new ATOM 373 N HIS A 775 0.989 -26.423 -9.282 1.00 0.00 N ATOM 374 CA HIS A 775 1.716 -26.226 -8.012 1.00 0.00 C ATOM 375 C HIS A 775 3.248 -26.379 -8.204 1.00 0.00 C ATOM 376 O HIS A 775 3.734 -26.466 -9.335 1.00 0.00 O ATOM 377 CB HIS A 775 1.133 -27.130 -6.900 1.00 0.00 C ATOM 378 CG HIS A 775 0.453 -26.356 -5.800 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.057 -25.561 -4.847 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.895 -26.286 -5.579 1.00 0.00 C ATOM 381 CE1 HIS A 775 0.093 -25.033 -4.072 1.00 0.00 C ATOM 382 NE2 HIS A 775 -1.123 -25.445 -4.482 1.00 0.00 N ATOM 0 H HIS A 775 1.562 -26.879 -9.992 1.00 0.00 H new ATOM 0 HA HIS A 775 1.567 -25.199 -7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.418 -27.824 -7.342 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.935 -27.730 -6.471 1.00 0.00 H new ATOM 0 HD1 HIS A 775 2.060 -25.402 -4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.656 -26.794 -6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.269 -24.371 -3.237 1.00 0.00 H new ATOM 390 N PHE A 776 4.021 -26.379 -7.113 1.00 0.00 N ATOM 391 CA PHE A 776 5.492 -26.361 -7.124 1.00 0.00 C ATOM 392 C PHE A 776 6.119 -27.697 -7.575 1.00 0.00 C ATOM 393 O PHE A 776 7.241 -27.716 -8.083 1.00 0.00 O ATOM 394 CB PHE A 776 6.010 -25.999 -5.714 1.00 0.00 C ATOM 395 CG PHE A 776 5.112 -25.101 -4.876 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.918 -23.751 -5.224 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.454 -25.630 -3.747 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.036 -22.950 -4.477 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.590 -24.821 -2.988 1.00 0.00 C ATOM 400 CZ PHE A 776 3.369 -23.486 -3.363 1.00 0.00 C ATOM 0 H PHE A 776 3.632 -26.392 -6.170 1.00 0.00 H new ATOM 0 HA PHE A 776 5.793 -25.611 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.178 -26.924 -5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.979 -25.511 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.447 -23.330 -6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 776 4.614 -26.660 -3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 776 3.871 -21.921 -4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.097 -25.226 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.686 -22.871 -2.795 1.00 0.00 H new ATOM 410 N LYS A 777 5.410 -28.810 -7.367 1.00 0.00 N ATOM 411 CA LYS A 777 5.868 -30.190 -7.580 1.00 0.00 C ATOM 412 C LYS A 777 4.683 -31.179 -7.743 1.00 0.00 C ATOM 413 O LYS A 777 3.592 -30.881 -7.235 1.00 0.00 O ATOM 414 CB LYS A 777 6.814 -30.592 -6.428 1.00 0.00 C ATOM 415 CG LYS A 777 6.145 -30.611 -5.042 1.00 0.00 C ATOM 416 CD LYS A 777 7.187 -30.905 -3.958 1.00 0.00 C ATOM 417 CE LYS A 777 6.514 -30.924 -2.582 1.00 0.00 C ATOM 418 NZ LYS A 777 7.489 -31.224 -1.497 1.00 0.00 N ATOM 0 H LYS A 777 4.449 -28.773 -7.027 1.00 0.00 H new ATOM 0 HA LYS A 777 6.420 -30.240 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.222 -31.581 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.655 -29.899 -6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.667 -29.651 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 777 5.361 -31.368 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.666 -31.865 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 777 7.971 -30.148 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 777 6.045 -29.959 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 777 5.720 -31.671 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 6.998 -31.229 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 7.919 -32.156 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 8.233 -30.497 -1.488 1.00 0.00 H new ATOM 432 N PRO A 778 4.857 -32.329 -8.431 1.00 0.00 N ATOM 433 CA PRO A 778 3.795 -33.318 -8.598 1.00 0.00 C ATOM 434 C PRO A 778 3.553 -34.079 -7.288 1.00 0.00 C ATOM 435 O PRO A 778 4.478 -34.305 -6.506 1.00 0.00 O ATOM 436 CB PRO A 778 4.265 -34.238 -9.727 1.00 0.00 C ATOM 437 CG PRO A 778 5.788 -34.189 -9.623 1.00 0.00 C ATOM 438 CD PRO A 778 6.067 -32.775 -9.123 1.00 0.00 C ATOM 0 HA PRO A 778 2.839 -32.860 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.887 -35.253 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.918 -33.888 -10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.167 -34.941 -8.931 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.262 -34.374 -10.587 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.924 -32.764 -8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.305 -32.111 -9.953 1.00 0.00 H new ATOM 446 N LYS A 779 2.304 -34.485 -7.041 1.00 0.00 N ATOM 447 CA LYS A 779 1.931 -35.254 -5.845 1.00 0.00 C ATOM 448 C LYS A 779 2.424 -36.711 -5.884 1.00 0.00 C ATOM 449 O LYS A 779 2.688 -37.275 -6.951 1.00 0.00 O ATOM 450 CB LYS A 779 0.400 -35.206 -5.664 1.00 0.00 C ATOM 451 CG LYS A 779 -0.087 -33.820 -5.201 1.00 0.00 C ATOM 452 CD LYS A 779 -1.608 -33.772 -4.991 1.00 0.00 C ATOM 453 CE LYS A 779 -2.382 -33.986 -6.302 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.851 -33.905 -6.097 1.00 0.00 N ATOM 0 H LYS A 779 1.520 -34.291 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 779 2.426 -34.790 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 779 -0.084 -35.463 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.098 -35.958 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.414 -33.555 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.198 -33.072 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.898 -34.537 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.884 -32.809 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.075 -33.236 -7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.127 -34.960 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.337 -34.055 -7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -4.148 -34.637 -5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.098 -32.967 -5.723 1.00 0.00 H new ATOM 468 N GLU A 780 2.510 -37.353 -4.716 1.00 0.00 N ATOM 469 CA GLU A 780 2.965 -38.746 -4.596 1.00 0.00 C ATOM 470 C GLU A 780 2.090 -39.733 -5.391 1.00 0.00 C ATOM 471 O GLU A 780 2.624 -40.650 -6.019 1.00 0.00 O ATOM 472 CB GLU A 780 3.095 -39.143 -3.110 1.00 0.00 C ATOM 473 CG GLU A 780 1.770 -39.165 -2.326 1.00 0.00 C ATOM 474 CD GLU A 780 2.011 -39.400 -0.829 1.00 0.00 C ATOM 475 OE1 GLU A 780 2.089 -40.575 -0.395 1.00 0.00 O ATOM 476 OE2 GLU A 780 2.127 -38.406 -0.069 1.00 0.00 O ATOM 0 H GLU A 780 2.266 -36.923 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 780 3.954 -38.807 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 780 3.551 -40.131 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 780 3.778 -38.448 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 780 1.245 -38.220 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 780 1.125 -39.950 -2.720 1.00 0.00 H new ATOM 483 N THR A 781 0.771 -39.493 -5.457 1.00 0.00 N ATOM 484 CA THR A 781 -0.169 -40.254 -6.296 1.00 0.00 C ATOM 485 C THR A 781 0.079 -40.027 -7.784 1.00 0.00 C ATOM 486 O THR A 781 0.083 -40.990 -8.542 1.00 0.00 O ATOM 487 CB THR A 781 -1.625 -39.922 -5.940 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.777 -38.529 -5.775 1.00 0.00 O ATOM 489 CG2 THR A 781 -2.032 -40.617 -4.643 1.00 0.00 C ATOM 0 H THR A 781 0.320 -38.752 -4.920 1.00 0.00 H new ATOM 0 HA THR A 781 0.007 -41.309 -6.088 1.00 0.00 H new ATOM 0 HB THR A 781 -2.261 -40.272 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.709 -38.326 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 781 -3.067 -40.370 -4.407 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.935 -41.696 -4.762 1.00 0.00 H new ATOM 0 HG23 THR A 781 -1.385 -40.282 -3.832 1.00 0.00 H new ATOM 497 N CYS A 782 0.350 -38.784 -8.194 1.00 0.00 N ATOM 498 CA CYS A 782 0.622 -38.415 -9.580 1.00 0.00 C ATOM 499 C CYS A 782 1.953 -39.013 -10.077 1.00 0.00 C ATOM 500 O CYS A 782 2.023 -39.486 -11.212 1.00 0.00 O ATOM 501 CB CYS A 782 0.597 -36.885 -9.686 1.00 0.00 C ATOM 502 SG CYS A 782 -1.081 -36.283 -9.311 1.00 0.00 S ATOM 0 H CYS A 782 0.386 -37.991 -7.554 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.148 -38.831 -10.230 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.316 -36.449 -8.992 1.00 0.00 H new ATOM 0 HB3 CYS A 782 0.892 -36.574 -10.688 1.00 0.00 H new ATOM 507 N VAL A 783 2.977 -39.049 -9.226 1.00 0.00 N ATOM 508 CA VAL A 783 4.255 -39.729 -9.502 1.00 0.00 C ATOM 509 C VAL A 783 4.084 -41.260 -9.507 1.00 0.00 C ATOM 510 O VAL A 783 4.593 -41.920 -10.409 1.00 0.00 O ATOM 511 CB VAL A 783 5.354 -39.291 -8.500 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.674 -40.061 -8.707 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.659 -37.789 -8.651 1.00 0.00 C ATOM 0 H VAL A 783 2.948 -38.602 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 783 4.578 -39.429 -10.499 1.00 0.00 H new ATOM 0 HB VAL A 783 4.964 -39.510 -7.506 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.412 -39.719 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.498 -41.128 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.046 -39.881 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.433 -37.501 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.006 -37.588 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.755 -37.213 -8.456 1.00 0.00 H new ATOM 523 N SER A 784 3.344 -41.836 -8.553 1.00 0.00 N ATOM 524 CA SER A 784 3.143 -43.297 -8.455 1.00 0.00 C ATOM 525 C SER A 784 2.282 -43.871 -9.597 1.00 0.00 C ATOM 526 O SER A 784 2.619 -44.921 -10.158 1.00 0.00 O ATOM 527 CB SER A 784 2.528 -43.628 -7.089 1.00 0.00 C ATOM 528 OG SER A 784 2.449 -45.030 -6.866 1.00 0.00 O ATOM 0 H SER A 784 2.865 -41.307 -7.824 1.00 0.00 H new ATOM 0 HA SER A 784 4.119 -43.772 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.126 -43.169 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 784 1.530 -43.194 -7.026 1.00 0.00 H new ATOM 0 HG SER A 784 2.054 -45.199 -5.985 1.00 0.00 H new ATOM 534 N GLU A 785 1.202 -43.182 -9.983 1.00 0.00 N ATOM 535 CA GLU A 785 0.360 -43.552 -11.132 1.00 0.00 C ATOM 536 C GLU A 785 0.952 -43.101 -12.486 1.00 0.00 C ATOM 537 O GLU A 785 0.446 -43.496 -13.539 1.00 0.00 O ATOM 538 CB GLU A 785 -1.058 -42.971 -10.966 1.00 0.00 C ATOM 539 CG GLU A 785 -1.820 -43.561 -9.768 1.00 0.00 C ATOM 540 CD GLU A 785 -3.306 -43.151 -9.723 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.776 -42.337 -10.557 1.00 0.00 O ATOM 542 OE2 GLU A 785 -4.029 -43.662 -8.835 1.00 0.00 O ATOM 0 H GLU A 785 0.882 -42.341 -9.502 1.00 0.00 H new ATOM 0 HA GLU A 785 0.318 -44.641 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -0.989 -41.890 -10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.628 -43.155 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.752 -44.648 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -1.335 -43.242 -8.846 1.00 0.00 H new ATOM 549 N ASN A 786 2.006 -42.277 -12.472 1.00 0.00 N ATOM 550 CA ASN A 786 2.700 -41.737 -13.647 1.00 0.00 C ATOM 551 C ASN A 786 1.764 -40.898 -14.552 1.00 0.00 C ATOM 552 O ASN A 786 1.660 -41.131 -15.763 1.00 0.00 O ATOM 553 CB ASN A 786 3.473 -42.835 -14.409 1.00 0.00 C ATOM 554 CG ASN A 786 4.568 -43.481 -13.562 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.702 -43.015 -13.515 1.00 0.00 O ATOM 556 ND2 ASN A 786 4.273 -44.565 -12.867 1.00 0.00 N ATOM 0 H ASN A 786 2.419 -41.953 -11.597 1.00 0.00 H new ATOM 0 HA ASN A 786 3.452 -41.036 -13.285 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.774 -43.603 -14.739 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.919 -42.404 -15.305 1.00 0.00 H new ATOM 0 HD21 ASN A 786 4.987 -45.013 -12.293 1.00 0.00 H new ATOM 0 HD22 ASN A 786 3.331 -44.954 -12.905 1.00 0.00 H new ATOM 563 N HIS A 787 1.075 -39.911 -13.956 1.00 0.00 N ATOM 564 CA HIS A 787 0.322 -38.878 -14.678 1.00 0.00 C ATOM 565 C HIS A 787 1.260 -38.064 -15.589 1.00 0.00 C ATOM 566 O HIS A 787 2.468 -37.996 -15.353 1.00 0.00 O ATOM 567 CB HIS A 787 -0.413 -37.948 -13.692 1.00 0.00 C ATOM 568 CG HIS A 787 -1.542 -38.560 -12.885 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.393 -37.885 -12.007 1.00 0.00 N ATOM 570 CD2 HIS A 787 -1.897 -39.885 -12.881 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.222 -38.817 -11.485 1.00 0.00 C ATOM 572 NE2 HIS A 787 -2.943 -40.028 -11.997 1.00 0.00 N ATOM 0 H HIS A 787 1.026 -39.809 -12.942 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.423 -39.372 -15.301 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.321 -37.543 -12.996 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.816 -37.106 -14.255 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.440 -40.671 -13.464 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -3.997 -38.617 -10.760 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.422 -40.900 -11.771 1.00 0.00 H new ATOM 580 N ASP A 788 0.708 -37.434 -16.624 1.00 0.00 N ATOM 581 CA ASP A 788 1.464 -36.551 -17.527 1.00 0.00 C ATOM 582 C ASP A 788 1.448 -35.112 -16.988 1.00 0.00 C ATOM 583 O ASP A 788 0.380 -34.520 -16.855 1.00 0.00 O ATOM 584 CB ASP A 788 0.873 -36.611 -18.949 1.00 0.00 C ATOM 585 CG ASP A 788 1.149 -37.962 -19.632 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.320 -38.217 -20.006 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.198 -38.761 -19.814 1.00 0.00 O ATOM 0 H ASP A 788 -0.279 -37.518 -16.866 1.00 0.00 H new ATOM 0 HA ASP A 788 2.499 -36.890 -17.574 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.203 -36.442 -18.902 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.296 -35.807 -19.552 1.00 0.00 H new ATOM 592 N PHE A 789 2.629 -34.544 -16.710 1.00 0.00 N ATOM 593 CA PHE A 789 2.789 -33.159 -16.249 1.00 0.00 C ATOM 594 C PHE A 789 3.675 -32.334 -17.196 1.00 0.00 C ATOM 595 O PHE A 789 4.642 -32.846 -17.766 1.00 0.00 O ATOM 596 CB PHE A 789 3.333 -33.074 -14.805 1.00 0.00 C ATOM 597 CG PHE A 789 3.739 -34.344 -14.082 1.00 0.00 C ATOM 598 CD1 PHE A 789 2.767 -35.127 -13.423 1.00 0.00 C ATOM 599 CD2 PHE A 789 5.099 -34.699 -13.978 1.00 0.00 C ATOM 600 CE1 PHE A 789 3.158 -36.252 -12.672 1.00 0.00 C ATOM 601 CE2 PHE A 789 5.487 -35.817 -13.216 1.00 0.00 C ATOM 602 CZ PHE A 789 4.514 -36.599 -12.570 1.00 0.00 C ATOM 0 H PHE A 789 3.514 -35.042 -16.801 1.00 0.00 H new ATOM 0 HA PHE A 789 1.787 -32.729 -16.254 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.202 -32.416 -14.822 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.573 -32.582 -14.198 1.00 0.00 H new ATOM 0 HD1 PHE A 789 1.722 -34.863 -13.495 1.00 0.00 H new ATOM 0 HD2 PHE A 789 5.848 -34.110 -14.486 1.00 0.00 H new ATOM 0 HE1 PHE A 789 2.411 -36.851 -12.172 1.00 0.00 H new ATOM 0 HE2 PHE A 789 6.532 -36.074 -13.128 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.809 -37.465 -11.996 1.00 0.00 H new ATOM 612 N HIS A 790 3.373 -31.040 -17.309 1.00 0.00 N ATOM 613 CA HIS A 790 4.207 -30.042 -17.984 1.00 0.00 C ATOM 614 C HIS A 790 4.820 -29.074 -16.952 1.00 0.00 C ATOM 615 O HIS A 790 4.101 -28.431 -16.184 1.00 0.00 O ATOM 616 CB HIS A 790 3.359 -29.259 -19.003 1.00 0.00 C ATOM 617 CG HIS A 790 2.859 -30.016 -20.212 1.00 0.00 C ATOM 618 ND1 HIS A 790 2.073 -29.473 -21.206 1.00 0.00 N ATOM 619 CD2 HIS A 790 3.114 -31.311 -20.576 1.00 0.00 C ATOM 620 CE1 HIS A 790 1.845 -30.421 -22.134 1.00 0.00 C ATOM 621 NE2 HIS A 790 2.465 -31.566 -21.795 1.00 0.00 N ATOM 0 H HIS A 790 2.516 -30.645 -16.922 1.00 0.00 H new ATOM 0 HA HIS A 790 5.016 -30.552 -18.508 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.495 -28.849 -18.480 1.00 0.00 H new ATOM 0 HB3 HIS A 790 3.949 -28.413 -19.355 1.00 0.00 H new ATOM 0 HD2 HIS A 790 3.713 -32.017 -20.020 1.00 0.00 H new ATOM 0 HE1 HIS A 790 1.249 -30.282 -23.024 1.00 0.00 H new ATOM 0 HE2 HIS A 790 2.464 -32.442 -22.318 1.00 0.00 H new ATOM 629 N TRP A 791 6.154 -28.939 -16.956 1.00 0.00 N ATOM 630 CA TRP A 791 6.888 -27.966 -16.139 1.00 0.00 C ATOM 631 C TRP A 791 7.066 -26.615 -16.859 1.00 0.00 C ATOM 632 O TRP A 791 7.190 -26.557 -18.086 1.00 0.00 O ATOM 633 CB TRP A 791 8.244 -28.560 -15.733 1.00 0.00 C ATOM 634 CG TRP A 791 8.198 -29.665 -14.719 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.020 -30.980 -14.985 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.363 -29.581 -13.269 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.083 -31.710 -13.812 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.314 -30.897 -12.721 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.537 -28.523 -12.349 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.484 -31.154 -11.353 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.702 -28.764 -10.975 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.687 -30.078 -10.474 1.00 0.00 C ATOM 0 H TRP A 791 6.763 -29.514 -17.538 1.00 0.00 H new ATOM 0 HA TRP A 791 6.300 -27.762 -15.244 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.737 -28.936 -16.629 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.867 -27.757 -15.339 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.854 -31.397 -15.967 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.973 -32.723 -13.760 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.543 -27.505 -12.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.459 -32.167 -10.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.841 -27.934 -10.298 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.831 -30.258 -9.419 1.00 0.00 H new ATOM 653 N HIS A 792 7.130 -25.526 -16.088 1.00 0.00 N ATOM 654 CA HIS A 792 7.367 -24.144 -16.533 1.00 0.00 C ATOM 655 C HIS A 792 7.815 -23.250 -15.344 1.00 0.00 C ATOM 656 O HIS A 792 7.964 -23.745 -14.223 1.00 0.00 O ATOM 657 CB HIS A 792 6.115 -23.603 -17.247 1.00 0.00 C ATOM 658 CG HIS A 792 4.908 -23.405 -16.362 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.409 -22.198 -15.918 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.052 -24.374 -15.907 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.289 -22.439 -15.217 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.022 -23.757 -15.188 1.00 0.00 N ATOM 0 H HIS A 792 7.011 -25.586 -15.077 1.00 0.00 H new ATOM 0 HA HIS A 792 8.185 -24.129 -17.253 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.365 -22.650 -17.713 1.00 0.00 H new ATOM 0 HB3 HIS A 792 5.848 -24.290 -18.050 1.00 0.00 H new ATOM 0 HD1 HIS A 792 4.820 -21.281 -16.092 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.155 -25.436 -16.075 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.686 -21.679 -14.742 1.00 0.00 H new ATOM 670 N ASN A 793 8.029 -21.945 -15.551 1.00 0.00 N ATOM 671 CA ASN A 793 8.332 -20.991 -14.471 1.00 0.00 C ATOM 672 C ASN A 793 7.078 -20.263 -13.945 1.00 0.00 C ATOM 673 O ASN A 793 6.130 -20.014 -14.694 1.00 0.00 O ATOM 674 CB ASN A 793 9.396 -19.984 -14.937 1.00 0.00 C ATOM 675 CG ASN A 793 10.774 -20.620 -15.052 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.313 -20.809 -16.133 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.380 -20.977 -13.932 1.00 0.00 N ATOM 0 H ASN A 793 7.997 -21.517 -16.476 1.00 0.00 H new ATOM 0 HA ASN A 793 8.725 -21.568 -13.634 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.106 -19.572 -15.903 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.439 -19.151 -14.235 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.302 -21.412 -13.967 1.00 0.00 H new ATOM 0 HD22 ASN A 793 10.926 -20.817 -13.033 1.00 0.00 H new ATOM 684 N GLY A 794 7.089 -19.930 -12.650 1.00 0.00 N ATOM 685 CA GLY A 794 6.016 -19.231 -11.923 1.00 0.00 C ATOM 686 C GLY A 794 6.527 -18.471 -10.696 1.00 0.00 C ATOM 687 O GLY A 794 7.738 -18.325 -10.517 1.00 0.00 O ATOM 0 H GLY A 794 7.883 -20.150 -12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.522 -18.532 -12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.265 -19.956 -11.609 1.00 0.00 H new ATOM 691 N VAL A 795 5.608 -17.977 -9.859 1.00 0.00 N ATOM 692 CA VAL A 795 5.897 -17.213 -8.625 1.00 0.00 C ATOM 693 C VAL A 795 4.980 -17.683 -7.494 1.00 0.00 C ATOM 694 O VAL A 795 3.781 -17.865 -7.696 1.00 0.00 O ATOM 695 CB VAL A 795 5.718 -15.685 -8.832 1.00 0.00 C ATOM 696 CG1 VAL A 795 5.929 -14.894 -7.525 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.688 -15.132 -9.892 1.00 0.00 C ATOM 0 H VAL A 795 4.608 -18.098 -10.021 1.00 0.00 H new ATOM 0 HA VAL A 795 6.939 -17.397 -8.364 1.00 0.00 H new ATOM 0 HB VAL A 795 4.691 -15.554 -9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.794 -13.830 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.204 -15.223 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 795 6.938 -15.070 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.530 -14.060 -10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 795 7.715 -15.315 -9.576 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.507 -15.629 -10.845 1.00 0.00 H new ATOM 707 N LYS A 796 5.549 -17.851 -6.296 1.00 0.00 N ATOM 708 CA LYS A 796 4.853 -18.302 -5.085 1.00 0.00 C ATOM 709 C LYS A 796 4.639 -17.171 -4.055 1.00 0.00 C ATOM 710 O LYS A 796 5.479 -16.277 -3.912 1.00 0.00 O ATOM 711 CB LYS A 796 5.623 -19.499 -4.507 1.00 0.00 C ATOM 712 CG LYS A 796 6.927 -19.097 -3.798 1.00 0.00 C ATOM 713 CD LYS A 796 8.002 -20.182 -3.873 1.00 0.00 C ATOM 714 CE LYS A 796 7.545 -21.495 -3.215 1.00 0.00 C ATOM 715 NZ LYS A 796 8.623 -22.516 -3.232 1.00 0.00 N ATOM 0 H LYS A 796 6.540 -17.671 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 796 3.843 -18.616 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.982 -20.028 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.855 -20.196 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.311 -18.180 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.713 -18.876 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.256 -20.369 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.909 -19.828 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.242 -21.301 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.670 -21.880 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 8.282 -23.389 -2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.894 -22.718 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.449 -22.157 -2.712 1.00 0.00 H new ATOM 729 N ARG A 797 3.509 -17.217 -3.348 1.00 0.00 N ATOM 730 CA ARG A 797 3.082 -16.251 -2.315 1.00 0.00 C ATOM 731 C ARG A 797 2.722 -16.995 -1.011 1.00 0.00 C ATOM 732 O ARG A 797 2.309 -18.157 -1.048 1.00 0.00 O ATOM 733 CB ARG A 797 1.918 -15.339 -2.797 1.00 0.00 C ATOM 734 CG ARG A 797 1.317 -15.577 -4.202 1.00 0.00 C ATOM 735 CD ARG A 797 2.151 -14.994 -5.353 1.00 0.00 C ATOM 736 NE ARG A 797 1.693 -15.534 -6.647 1.00 0.00 N ATOM 737 CZ ARG A 797 1.885 -15.017 -7.854 1.00 0.00 C ATOM 738 NH1 ARG A 797 2.543 -13.896 -8.062 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.407 -15.650 -8.899 1.00 0.00 N ATOM 0 H ARG A 797 2.827 -17.964 -3.481 1.00 0.00 H new ATOM 0 HA ARG A 797 3.922 -15.585 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 797 1.108 -15.427 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 797 2.269 -14.308 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.203 -16.650 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.318 -15.142 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 797 2.068 -13.907 -5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 797 3.204 -15.233 -5.205 1.00 0.00 H new ATOM 0 HE ARG A 797 1.167 -16.407 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.934 -13.381 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 797 2.662 -13.543 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 797 0.897 -16.525 -8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.545 -15.267 -9.834 1.00 0.00 H new ATOM 753 N PHE A 798 2.905 -16.328 0.134 1.00 0.00 N ATOM 754 CA PHE A 798 2.847 -16.916 1.482 1.00 0.00 C ATOM 755 C PHE A 798 1.653 -16.389 2.291 1.00 0.00 C ATOM 756 O PHE A 798 1.328 -15.200 2.226 1.00 0.00 O ATOM 757 CB PHE A 798 4.177 -16.624 2.200 1.00 0.00 C ATOM 758 CG PHE A 798 5.413 -16.946 1.376 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.716 -18.283 1.064 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.254 -15.917 0.899 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.839 -18.603 0.284 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.381 -16.235 0.119 1.00 0.00 C ATOM 763 CZ PHE A 798 7.675 -17.577 -0.187 1.00 0.00 C ATOM 0 H PHE A 798 3.105 -15.328 0.151 1.00 0.00 H new ATOM 0 HA PHE A 798 2.702 -17.993 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 798 4.203 -15.570 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.211 -17.199 3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.077 -19.074 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 798 6.032 -14.886 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.059 -19.633 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 798 8.023 -15.447 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.543 -17.818 -0.783 1.00 0.00 H new ATOM 773 N PHE A 799 1.017 -17.263 3.081 1.00 0.00 N ATOM 774 CA PHE A 799 -0.258 -16.989 3.761 1.00 0.00 C ATOM 775 C PHE A 799 -0.288 -17.482 5.218 1.00 0.00 C ATOM 776 O PHE A 799 0.341 -18.479 5.569 1.00 0.00 O ATOM 777 CB PHE A 799 -1.415 -17.608 2.955 1.00 0.00 C ATOM 778 CG PHE A 799 -1.495 -17.119 1.521 1.00 0.00 C ATOM 779 CD1 PHE A 799 -2.247 -15.970 1.218 1.00 0.00 C ATOM 780 CD2 PHE A 799 -0.793 -17.787 0.497 1.00 0.00 C ATOM 781 CE1 PHE A 799 -2.262 -15.461 -0.092 1.00 0.00 C ATOM 782 CE2 PHE A 799 -0.815 -17.283 -0.815 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.538 -16.111 -1.109 1.00 0.00 C ATOM 0 H PHE A 799 1.379 -18.198 3.270 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.373 -15.906 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.304 -18.692 2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.356 -17.384 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -2.814 -15.477 1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -0.238 -18.686 0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -2.829 -14.570 -0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -0.277 -17.795 -1.599 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.537 -15.712 -2.113 1.00 0.00 H new ATOM 793 N LYS A 800 -1.055 -16.772 6.053 1.00 0.00 N ATOM 794 CA LYS A 800 -1.312 -17.053 7.473 1.00 0.00 C ATOM 795 C LYS A 800 -2.821 -17.190 7.770 1.00 0.00 C ATOM 796 O LYS A 800 -3.659 -16.487 7.199 1.00 0.00 O ATOM 797 CB LYS A 800 -0.678 -15.916 8.304 1.00 0.00 C ATOM 798 CG LYS A 800 -0.927 -16.057 9.813 1.00 0.00 C ATOM 799 CD LYS A 800 -0.374 -14.870 10.620 1.00 0.00 C ATOM 800 CE LYS A 800 -0.579 -15.073 12.133 1.00 0.00 C ATOM 801 NZ LYS A 800 -2.015 -15.154 12.519 1.00 0.00 N ATOM 0 H LYS A 800 -1.544 -15.934 5.737 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.865 -18.010 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.396 -15.896 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -1.077 -14.960 7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.998 -16.146 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.466 -16.979 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 800 0.688 -14.748 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 800 -0.869 -13.952 10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.073 -15.987 12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 800 -0.109 -14.250 12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 -2.094 -15.205 13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 -2.515 -14.309 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 -2.441 -16.004 12.097 1.00 0.00 H new ATOM 815 N CYS A 801 -3.174 -18.088 8.685 1.00 0.00 N ATOM 816 CA CYS A 801 -4.514 -18.275 9.259 1.00 0.00 C ATOM 817 C CYS A 801 -4.642 -17.549 10.632 1.00 0.00 C ATOM 818 O CYS A 801 -3.624 -17.417 11.332 1.00 0.00 O ATOM 819 CB CYS A 801 -4.690 -19.795 9.402 1.00 0.00 C ATOM 820 SG CYS A 801 -6.395 -20.252 9.860 1.00 0.00 S ATOM 0 H CYS A 801 -2.497 -18.746 9.072 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.290 -17.845 8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.426 -20.279 8.462 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -4.000 -20.169 10.158 1.00 0.00 H new ATOM 825 N PRO A 802 -5.840 -17.107 11.070 1.00 0.00 N ATOM 826 CA PRO A 802 -6.037 -16.505 12.396 1.00 0.00 C ATOM 827 C PRO A 802 -5.610 -17.380 13.592 1.00 0.00 C ATOM 828 O PRO A 802 -5.269 -16.826 14.636 1.00 0.00 O ATOM 829 CB PRO A 802 -7.523 -16.120 12.475 1.00 0.00 C ATOM 830 CG PRO A 802 -8.179 -16.905 11.343 1.00 0.00 C ATOM 831 CD PRO A 802 -7.069 -16.969 10.302 1.00 0.00 C ATOM 0 HA PRO A 802 -5.377 -15.642 12.486 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.951 -16.384 13.442 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -7.663 -15.047 12.347 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.491 -17.898 11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -9.066 -16.401 10.960 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.209 -17.813 9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -7.052 -16.069 9.688 1.00 0.00 H new ATOM 839 N CYS A 803 -5.580 -18.718 13.465 1.00 0.00 N ATOM 840 CA CYS A 803 -5.060 -19.614 14.513 1.00 0.00 C ATOM 841 C CYS A 803 -3.513 -19.630 14.633 1.00 0.00 C ATOM 842 O CYS A 803 -2.971 -20.143 15.621 1.00 0.00 O ATOM 843 CB CYS A 803 -5.642 -21.028 14.336 1.00 0.00 C ATOM 844 SG CYS A 803 -4.929 -21.890 12.891 1.00 0.00 S ATOM 0 H CYS A 803 -5.915 -19.208 12.635 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.398 -19.206 15.465 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.452 -21.613 15.236 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.724 -20.962 14.221 1.00 0.00 H new ATOM 849 N GLY A 804 -2.805 -19.040 13.660 1.00 0.00 N ATOM 850 CA GLY A 804 -1.336 -18.969 13.568 1.00 0.00 C ATOM 851 C GLY A 804 -0.715 -19.920 12.539 1.00 0.00 C ATOM 852 O GLY A 804 0.463 -19.761 12.217 1.00 0.00 O ATOM 0 H GLY A 804 -3.262 -18.575 12.875 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -1.050 -17.947 13.318 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.913 -19.188 14.548 1.00 0.00 H new ATOM 856 N ASN A 805 -1.486 -20.872 12.003 1.00 0.00 N ATOM 857 CA ASN A 805 -1.042 -21.809 10.961 1.00 0.00 C ATOM 858 C ASN A 805 -0.634 -21.092 9.652 1.00 0.00 C ATOM 859 O ASN A 805 -1.080 -19.969 9.394 1.00 0.00 O ATOM 860 CB ASN A 805 -2.151 -22.849 10.728 1.00 0.00 C ATOM 861 CG ASN A 805 -1.727 -24.045 9.879 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.556 -24.401 9.798 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.664 -24.714 9.234 1.00 0.00 N ATOM 0 H ASN A 805 -2.455 -21.017 12.286 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.139 -22.314 11.304 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.501 -23.211 11.695 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -2.997 -22.358 10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.414 -25.526 8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.638 -24.419 9.300 1.00 0.00 H new ATOM 870 N ARG A 806 0.215 -21.723 8.831 1.00 0.00 N ATOM 871 CA ARG A 806 0.854 -21.121 7.646 1.00 0.00 C ATOM 872 C ARG A 806 0.712 -22.022 6.410 1.00 0.00 C ATOM 873 O ARG A 806 0.632 -23.248 6.556 1.00 0.00 O ATOM 874 CB ARG A 806 2.353 -20.883 7.925 1.00 0.00 C ATOM 875 CG ARG A 806 2.641 -20.083 9.205 1.00 0.00 C ATOM 876 CD ARG A 806 2.132 -18.639 9.165 1.00 0.00 C ATOM 877 NE ARG A 806 2.230 -18.032 10.505 1.00 0.00 N ATOM 878 CZ ARG A 806 2.741 -16.854 10.844 1.00 0.00 C ATOM 879 NH1 ARG A 806 3.202 -16.003 9.952 1.00 0.00 N ATOM 880 NH2 ARG A 806 2.794 -16.510 12.111 1.00 0.00 N ATOM 0 H ARG A 806 0.487 -22.696 8.974 1.00 0.00 H new ATOM 0 HA ARG A 806 0.352 -20.175 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.855 -21.848 7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.789 -20.356 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.184 -20.595 10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.717 -20.073 9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 806 2.716 -18.059 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 806 1.097 -18.619 8.822 1.00 0.00 H new ATOM 0 HE ARG A 806 1.856 -18.590 11.273 1.00 0.00 H new ATOM 0 HH11 ARG A 806 3.174 -16.239 8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 806 3.587 -15.108 10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 806 2.444 -17.146 12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 806 3.185 -15.607 12.378 1.00 0.00 H new ATOM 894 N THR A 807 0.717 -21.430 5.204 1.00 0.00 N ATOM 895 CA THR A 807 0.737 -22.151 3.916 1.00 0.00 C ATOM 896 C THR A 807 1.266 -21.285 2.774 1.00 0.00 C ATOM 897 O THR A 807 1.590 -20.112 2.956 1.00 0.00 O ATOM 898 CB THR A 807 -0.634 -22.792 3.620 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.404 -23.888 2.763 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.640 -21.845 2.961 1.00 0.00 C ATOM 0 H THR A 807 0.707 -20.416 5.093 1.00 0.00 H new ATOM 0 HA THR A 807 1.450 -22.971 4.002 1.00 0.00 H new ATOM 0 HB THR A 807 -1.078 -23.081 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 807 -0.855 -24.682 3.119 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.577 -22.374 2.787 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.820 -20.993 3.616 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.240 -21.493 2.010 1.00 0.00 H new ATOM 908 N ILE A 808 1.364 -21.883 1.590 1.00 0.00 N ATOM 909 CA ILE A 808 1.934 -21.307 0.363 1.00 0.00 C ATOM 910 C ILE A 808 1.010 -21.629 -0.829 1.00 0.00 C ATOM 911 O ILE A 808 0.448 -22.727 -0.910 1.00 0.00 O ATOM 912 CB ILE A 808 3.370 -21.858 0.117 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.205 -21.957 1.421 1.00 0.00 C ATOM 914 CG2 ILE A 808 4.091 -21.002 -0.945 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.664 -22.380 1.250 1.00 0.00 C ATOM 0 H ILE A 808 1.031 -22.836 1.447 1.00 0.00 H new ATOM 0 HA ILE A 808 2.008 -20.225 0.472 1.00 0.00 H new ATOM 0 HB ILE A 808 3.269 -22.877 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 808 4.184 -20.987 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.717 -22.667 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.094 -21.395 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.531 -21.034 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.158 -19.971 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.149 -22.415 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.705 -23.367 0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 808 6.179 -21.660 0.614 1.00 0.00 H new ATOM 927 N SER A 809 0.865 -20.698 -1.767 1.00 0.00 N ATOM 928 CA SER A 809 0.145 -20.917 -3.033 1.00 0.00 C ATOM 929 C SER A 809 0.873 -20.239 -4.207 1.00 0.00 C ATOM 930 O SER A 809 1.689 -19.333 -4.008 1.00 0.00 O ATOM 931 CB SER A 809 -1.301 -20.410 -2.928 1.00 0.00 C ATOM 932 OG SER A 809 -2.060 -20.813 -4.065 1.00 0.00 O ATOM 0 H SER A 809 1.246 -19.756 -1.675 1.00 0.00 H new ATOM 0 HA SER A 809 0.121 -21.990 -3.226 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.763 -20.798 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.306 -19.323 -2.848 1.00 0.00 H new ATOM 0 HG SER A 809 -2.979 -20.482 -3.979 1.00 0.00 H new ATOM 938 N LEU A 810 0.570 -20.659 -5.439 1.00 0.00 N ATOM 939 CA LEU A 810 0.935 -19.936 -6.659 1.00 0.00 C ATOM 940 C LEU A 810 -0.103 -18.862 -7.031 1.00 0.00 C ATOM 941 O LEU A 810 0.217 -17.962 -7.805 1.00 0.00 O ATOM 942 CB LEU A 810 1.104 -20.936 -7.824 1.00 0.00 C ATOM 943 CG LEU A 810 2.293 -21.909 -7.693 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.328 -22.825 -8.919 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.638 -21.173 -7.594 1.00 0.00 C ATOM 0 H LEU A 810 0.057 -21.522 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 810 1.878 -19.423 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.188 -21.519 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.218 -20.373 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 810 2.151 -22.480 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 810 3.167 -23.516 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.397 -23.389 -8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.445 -22.223 -9.820 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.445 -21.900 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.791 -20.572 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.634 -20.524 -6.718 1.00 0.00 H new ATOM 957 N ASP A 811 -1.322 -18.913 -6.488 1.00 0.00 N ATOM 958 CA ASP A 811 -2.375 -17.925 -6.741 1.00 0.00 C ATOM 959 C ASP A 811 -2.402 -16.841 -5.649 1.00 0.00 C ATOM 960 O ASP A 811 -1.741 -16.957 -4.610 1.00 0.00 O ATOM 961 CB ASP A 811 -3.723 -18.664 -6.865 1.00 0.00 C ATOM 962 CG ASP A 811 -4.875 -17.816 -7.432 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.607 -16.872 -8.213 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.050 -18.099 -7.102 1.00 0.00 O ATOM 0 H ASP A 811 -1.610 -19.654 -5.849 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.173 -17.402 -7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.585 -19.537 -7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.012 -19.031 -5.880 1.00 0.00 H new ATOM 969 N ARG A 812 -3.191 -15.786 -5.870 1.00 0.00 N ATOM 970 CA ARG A 812 -3.366 -14.653 -4.939 1.00 0.00 C ATOM 971 C ARG A 812 -3.999 -15.033 -3.581 1.00 0.00 C ATOM 972 O ARG A 812 -4.004 -14.208 -2.663 1.00 0.00 O ATOM 973 CB ARG A 812 -4.140 -13.518 -5.625 1.00 0.00 C ATOM 974 CG ARG A 812 -5.593 -13.882 -5.981 1.00 0.00 C ATOM 975 CD ARG A 812 -6.363 -12.628 -6.395 1.00 0.00 C ATOM 976 NE ARG A 812 -5.923 -12.102 -7.706 1.00 0.00 N ATOM 977 CZ ARG A 812 -6.211 -10.909 -8.216 1.00 0.00 C ATOM 978 NH1 ARG A 812 -6.969 -10.039 -7.576 1.00 0.00 N ATOM 979 NH2 ARG A 812 -5.730 -10.566 -9.392 1.00 0.00 N ATOM 0 H ARG A 812 -3.743 -15.688 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.363 -14.308 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.144 -12.646 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.614 -13.231 -6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.605 -14.610 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.079 -14.350 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -7.428 -12.857 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.232 -11.857 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 812 -5.341 -12.716 -8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -7.354 -10.274 -6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -7.170 -9.132 -7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -5.138 -11.215 -9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -5.950 -9.651 -9.786 1.00 0.00 H new ATOM 993 N LEU A 813 -4.506 -16.263 -3.444 1.00 0.00 N ATOM 994 CA LEU A 813 -5.035 -16.857 -2.213 1.00 0.00 C ATOM 995 C LEU A 813 -5.048 -18.405 -2.352 1.00 0.00 C ATOM 996 O LEU A 813 -5.213 -18.898 -3.476 1.00 0.00 O ATOM 997 CB LEU A 813 -6.453 -16.283 -1.956 1.00 0.00 C ATOM 998 CG LEU A 813 -6.982 -16.376 -0.509 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.139 -15.555 0.480 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.429 -15.868 -0.460 1.00 0.00 C ATOM 0 H LEU A 813 -4.561 -16.906 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.406 -16.610 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.456 -15.234 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.154 -16.801 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 813 -6.923 -17.423 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -6.554 -15.655 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.112 -15.921 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.152 -14.506 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -8.803 -15.933 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.462 -14.831 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.051 -16.479 -1.114 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.892 -19.173 -1.255 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.106 -20.625 -1.214 1.00 0.00 C ATOM 1014 C PRO A 814 -6.534 -21.048 -1.605 1.00 0.00 C ATOM 1015 O PRO A 814 -7.422 -20.228 -1.831 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.768 -21.056 0.219 1.00 0.00 C ATOM 1017 CG PRO A 814 -3.873 -19.941 0.750 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.376 -18.711 0.022 1.00 0.00 C ATOM 0 HA PRO A 814 -4.471 -21.115 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -5.668 -21.165 0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -4.256 -22.018 0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -3.963 -19.833 1.831 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -2.822 -20.133 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.155 -18.210 0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.572 -17.989 -0.122 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.758 -22.368 -1.644 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.053 -23.017 -1.922 1.00 0.00 C ATOM 1028 C LYS A 815 -8.245 -24.348 -1.155 1.00 0.00 C ATOM 1029 O LYS A 815 -9.161 -25.129 -1.427 1.00 0.00 O ATOM 1030 CB LYS A 815 -8.237 -23.167 -3.451 1.00 0.00 C ATOM 1031 CG LYS A 815 -7.352 -24.221 -4.149 1.00 0.00 C ATOM 1032 CD LYS A 815 -5.873 -23.820 -4.313 1.00 0.00 C ATOM 1033 CE LYS A 815 -5.152 -24.867 -5.161 1.00 0.00 C ATOM 1034 NZ LYS A 815 -3.768 -24.442 -5.496 1.00 0.00 N ATOM 0 H LYS A 815 -6.013 -23.044 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.846 -22.372 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -9.281 -23.413 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -8.046 -22.199 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -7.401 -25.149 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -7.769 -24.429 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -5.801 -22.841 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -5.397 -23.737 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -5.122 -25.814 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -5.712 -25.040 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -3.594 -24.595 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -3.651 -23.433 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -3.089 -25.001 -4.940 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.325 -24.637 -0.226 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.029 -25.982 0.303 1.00 0.00 C ATOM 1050 C LYS A 816 -7.666 -26.309 1.676 1.00 0.00 C ATOM 1051 O LYS A 816 -7.759 -27.484 2.032 1.00 0.00 O ATOM 1052 CB LYS A 816 -5.489 -26.117 0.358 1.00 0.00 C ATOM 1053 CG LYS A 816 -4.817 -25.055 1.262 1.00 0.00 C ATOM 1054 CD LYS A 816 -3.299 -25.227 1.350 1.00 0.00 C ATOM 1055 CE LYS A 816 -2.604 -24.745 0.064 1.00 0.00 C ATOM 1056 NZ LYS A 816 -1.132 -24.887 0.150 1.00 0.00 N ATOM 0 H LYS A 816 -6.742 -23.915 0.197 1.00 0.00 H new ATOM 0 HA LYS A 816 -7.485 -26.711 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -5.230 -27.111 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -5.087 -26.033 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.044 -24.061 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.244 -25.114 2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -2.917 -24.667 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -3.060 -26.276 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -2.976 -25.317 -0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -2.859 -23.701 -0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -0.681 -24.241 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -0.816 -24.654 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -0.864 -25.866 -0.075 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.083 -25.282 2.429 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.504 -25.298 3.848 1.00 0.00 C ATOM 1072 C HIS A 817 -7.325 -25.509 4.834 1.00 0.00 C ATOM 1073 O HIS A 817 -6.308 -26.126 4.506 1.00 0.00 O ATOM 1074 CB HIS A 817 -9.631 -26.307 4.127 1.00 0.00 C ATOM 1075 CG HIS A 817 -10.868 -26.096 3.290 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -11.138 -26.666 2.065 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -11.930 -25.289 3.603 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -12.332 -26.208 1.650 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -12.859 -25.361 2.554 1.00 0.00 N ATOM 0 H HIS A 817 -8.141 -24.342 2.037 1.00 0.00 H new ATOM 0 HA HIS A 817 -8.902 -24.300 4.029 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -9.254 -27.314 3.951 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -9.904 -26.248 5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.034 -24.699 4.502 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -12.804 -26.482 0.718 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -13.752 -24.871 2.489 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.472 -24.994 6.057 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.505 -25.116 7.145 1.00 0.00 C ATOM 1089 C CYS A 818 -6.306 -26.575 7.601 1.00 0.00 C ATOM 1090 O CYS A 818 -7.256 -27.348 7.734 1.00 0.00 O ATOM 1091 CB CYS A 818 -6.985 -24.202 8.275 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.784 -24.154 9.650 1.00 0.00 S ATOM 0 H CYS A 818 -8.300 -24.461 6.324 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.516 -24.806 6.807 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.139 -23.194 7.889 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -7.949 -24.553 8.644 1.00 0.00 H new ATOM 1097 N SER A 819 -5.060 -26.945 7.879 1.00 0.00 N ATOM 1098 CA SER A 819 -4.672 -28.244 8.440 1.00 0.00 C ATOM 1099 C SER A 819 -4.747 -28.308 9.982 1.00 0.00 C ATOM 1100 O SER A 819 -4.641 -29.401 10.552 1.00 0.00 O ATOM 1101 CB SER A 819 -3.249 -28.570 7.961 1.00 0.00 C ATOM 1102 OG SER A 819 -2.332 -27.520 8.259 1.00 0.00 O ATOM 0 H SER A 819 -4.262 -26.331 7.716 1.00 0.00 H new ATOM 0 HA SER A 819 -5.390 -28.983 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 819 -2.910 -29.492 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.260 -28.747 6.886 1.00 0.00 H new ATOM 0 HG SER A 819 -1.438 -27.766 7.940 1.00 0.00 H new ATOM 1108 N THR A 820 -4.935 -27.161 10.660 1.00 0.00 N ATOM 1109 CA THR A 820 -4.935 -27.044 12.131 1.00 0.00 C ATOM 1110 C THR A 820 -6.344 -26.878 12.705 1.00 0.00 C ATOM 1111 O THR A 820 -6.651 -27.527 13.706 1.00 0.00 O ATOM 1112 CB THR A 820 -4.002 -25.904 12.556 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.686 -26.263 12.192 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.976 -25.639 14.061 1.00 0.00 C ATOM 0 H THR A 820 -5.095 -26.270 10.191 1.00 0.00 H new ATOM 0 HA THR A 820 -4.558 -27.978 12.548 1.00 0.00 H new ATOM 0 HB THR A 820 -4.374 -25.004 12.065 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.068 -25.548 12.452 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.291 -24.818 14.274 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.977 -25.374 14.401 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.641 -26.536 14.583 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.206 -26.060 12.082 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.578 -25.801 12.556 1.00 0.00 C ATOM 1124 C CYS A 821 -9.706 -26.105 11.535 1.00 0.00 C ATOM 1125 O CYS A 821 -10.876 -26.222 11.926 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.663 -24.375 13.133 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.551 -23.056 11.877 1.00 0.00 S ATOM 0 H CYS A 821 -6.970 -25.555 11.228 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.772 -26.525 13.347 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.604 -24.269 13.673 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.861 -24.240 13.859 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.367 -26.327 10.258 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.236 -26.941 9.231 1.00 0.00 C ATOM 1134 C GLY A 822 -11.070 -25.969 8.391 1.00 0.00 C ATOM 1135 O GLY A 822 -11.671 -26.399 7.399 1.00 0.00 O ATOM 0 H GLY A 822 -8.448 -26.077 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -9.611 -27.528 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -10.914 -27.637 9.725 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.128 -24.684 8.756 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.874 -23.647 8.027 1.00 0.00 C ATOM 1141 C LEU A 823 -11.057 -23.005 6.884 1.00 0.00 C ATOM 1142 O LEU A 823 -9.988 -23.495 6.515 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.475 -22.639 9.038 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.527 -21.941 10.038 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.341 -21.216 9.386 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.338 -20.936 10.870 1.00 0.00 C ATOM 0 H LEU A 823 -10.649 -24.326 9.582 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.708 -24.112 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.985 -21.862 8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.237 -23.163 9.615 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.096 -22.728 10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.727 -20.754 10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.740 -21.932 8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.712 -20.446 8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.679 -20.436 11.580 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.787 -20.195 10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -13.124 -21.462 11.412 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.570 -21.905 6.319 1.00 0.00 N ATOM 1159 CA PHE A 824 -10.884 -21.071 5.332 1.00 0.00 C ATOM 1160 C PHE A 824 -10.970 -19.580 5.731 1.00 0.00 C ATOM 1161 O PHE A 824 -12.034 -18.963 5.618 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.500 -21.336 3.948 1.00 0.00 C ATOM 1163 CG PHE A 824 -10.717 -20.711 2.814 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.921 -19.362 2.465 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -9.742 -21.472 2.138 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -10.132 -18.768 1.467 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -8.959 -20.878 1.138 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.140 -19.521 0.817 1.00 0.00 C ATOM 0 H PHE A 824 -12.504 -21.563 6.545 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.825 -21.325 5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -11.564 -22.412 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.519 -20.951 3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -11.684 -18.784 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -9.598 -22.512 2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -10.288 -17.733 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -8.217 -21.463 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 824 -8.515 -19.056 0.069 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.850 -19.010 6.203 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.711 -17.608 6.670 1.00 0.00 C ATOM 1180 C LYS A 825 -8.304 -17.028 6.373 1.00 0.00 C ATOM 1181 O LYS A 825 -7.791 -16.181 7.113 1.00 0.00 O ATOM 1182 CB LYS A 825 -10.071 -17.523 8.181 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.549 -17.708 8.564 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.467 -16.596 8.023 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.940 -16.801 8.424 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.173 -16.585 9.878 1.00 0.00 N ATOM 0 H LYS A 825 -8.975 -19.530 6.276 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.411 -16.988 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.488 -18.277 8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.745 -16.551 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.896 -18.670 8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.633 -17.742 9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.123 -15.631 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.391 -16.563 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.567 -16.115 7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -14.248 -17.812 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.179 -16.735 10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.597 -17.256 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -13.906 -15.612 10.132 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.641 -17.499 5.310 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.265 -17.107 4.951 1.00 0.00 C ATOM 1202 C TRP A 826 -6.094 -15.602 4.658 1.00 0.00 C ATOM 1203 O TRP A 826 -6.977 -14.959 4.086 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.791 -17.951 3.761 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.636 -19.413 4.046 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.457 -20.392 3.613 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.608 -20.086 4.840 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.021 -21.617 4.085 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -4.887 -21.486 4.858 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.464 -19.654 5.537 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.089 -22.402 5.562 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -2.667 -20.559 6.264 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -2.983 -21.928 6.286 1.00 0.00 C ATOM 0 H TRP A 826 -8.048 -18.174 4.663 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.644 -17.300 5.826 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.500 -17.829 2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.834 -17.560 3.415 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.326 -20.242 2.990 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.481 -22.506 3.886 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.192 -18.609 5.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.323 -23.456 5.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -1.807 -20.198 6.808 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.377 -22.614 6.858 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.929 -15.068 5.020 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.464 -13.707 4.754 1.00 0.00 C ATOM 1226 C GLU A 827 -3.033 -13.766 4.210 1.00 0.00 C ATOM 1227 O GLU A 827 -2.223 -14.560 4.694 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.498 -12.917 6.075 1.00 0.00 C ATOM 1229 CG GLU A 827 -4.015 -11.461 5.963 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.954 -10.609 5.097 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -4.749 -10.543 3.862 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.901 -9.994 5.647 1.00 0.00 O ATOM 0 H GLU A 827 -4.239 -15.610 5.541 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.102 -13.217 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.518 -12.919 6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.881 -13.435 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.945 -11.025 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -3.012 -11.443 5.536 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.695 -12.925 3.224 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.341 -12.863 2.651 1.00 0.00 C ATOM 1241 C ARG A 828 -0.349 -12.246 3.648 1.00 0.00 C ATOM 1242 O ARG A 828 -0.652 -11.232 4.283 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.382 -12.120 1.306 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.047 -12.278 0.562 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.106 -11.673 -0.838 1.00 0.00 C ATOM 1246 NE ARG A 828 1.236 -11.687 -1.439 1.00 0.00 N ATOM 1247 CZ ARG A 828 1.617 -11.047 -2.536 1.00 0.00 C ATOM 1248 NH1 ARG A 828 0.781 -10.369 -3.294 1.00 0.00 N ATOM 1249 NH2 ARG A 828 2.879 -11.075 -2.883 1.00 0.00 N ATOM 0 H ARG A 828 -3.351 -12.268 2.800 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.981 -13.873 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.195 -12.510 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -1.588 -11.063 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.747 -11.797 1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.207 -13.336 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -0.800 -12.238 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.482 -10.651 -0.788 1.00 0.00 H new ATOM 0 HE ARG A 828 1.945 -12.245 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -0.207 -10.320 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 828 1.122 -9.893 -4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 828 3.554 -11.584 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 828 3.188 -10.588 -3.724 1.00 0.00 H new ATOM 1263 N VAL A 829 0.842 -12.837 3.768 1.00 0.00 N ATOM 1264 CA VAL A 829 1.936 -12.383 4.646 1.00 0.00 C ATOM 1265 C VAL A 829 3.281 -12.329 3.903 1.00 0.00 C ATOM 1266 O VAL A 829 3.361 -12.672 2.722 1.00 0.00 O ATOM 1267 CB VAL A 829 2.040 -13.235 5.941 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.800 -13.047 6.829 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.279 -14.729 5.656 1.00 0.00 C ATOM 0 H VAL A 829 1.085 -13.675 3.240 1.00 0.00 H new ATOM 0 HA VAL A 829 1.689 -11.366 4.950 1.00 0.00 H new ATOM 0 HB VAL A 829 2.915 -12.870 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.901 -13.655 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.709 -11.998 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.090 -13.355 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.343 -15.273 6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.453 -15.123 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.211 -14.849 5.103 1.00 0.00 H new ATOM 1279 N GLY A 830 4.328 -11.860 4.594 1.00 0.00 N ATOM 1280 CA GLY A 830 5.659 -11.612 4.037 1.00 0.00 C ATOM 1281 C GLY A 830 6.536 -12.851 3.827 1.00 0.00 C ATOM 1282 O GLY A 830 6.091 -13.993 3.962 1.00 0.00 O ATOM 0 H GLY A 830 4.267 -11.636 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.543 -11.106 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 830 6.187 -10.925 4.698 1.00 0.00 H new ATOM 1286 N MET A 831 7.796 -12.593 3.462 1.00 0.00 N ATOM 1287 CA MET A 831 8.810 -13.598 3.111 1.00 0.00 C ATOM 1288 C MET A 831 9.218 -14.476 4.315 1.00 0.00 C ATOM 1289 O MET A 831 9.246 -14.006 5.458 1.00 0.00 O ATOM 1290 CB MET A 831 10.023 -12.856 2.515 1.00 0.00 C ATOM 1291 CG MET A 831 11.078 -13.767 1.882 1.00 0.00 C ATOM 1292 SD MET A 831 12.444 -12.834 1.145 1.00 0.00 S ATOM 1293 CE MET A 831 13.480 -14.211 0.593 1.00 0.00 C ATOM 0 H MET A 831 8.154 -11.640 3.400 1.00 0.00 H new ATOM 0 HA MET A 831 8.392 -14.289 2.379 1.00 0.00 H new ATOM 0 HB2 MET A 831 9.668 -12.154 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 831 10.495 -12.267 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 831 11.472 -14.444 2.640 1.00 0.00 H new ATOM 0 HG3 MET A 831 10.609 -14.384 1.116 1.00 0.00 H new ATOM 0 HE1 MET A 831 14.376 -13.821 0.110 1.00 0.00 H new ATOM 0 HE2 MET A 831 13.765 -14.819 1.452 1.00 0.00 H new ATOM 0 HE3 MET A 831 12.923 -14.824 -0.116 1.00 0.00 H new ATOM 1303 N LEU A 832 9.563 -15.744 4.058 1.00 0.00 N ATOM 1304 CA LEU A 832 10.072 -16.681 5.066 1.00 0.00 C ATOM 1305 C LEU A 832 11.488 -16.268 5.496 1.00 0.00 C ATOM 1306 O LEU A 832 12.376 -16.102 4.661 1.00 0.00 O ATOM 1307 CB LEU A 832 10.044 -18.124 4.510 1.00 0.00 C ATOM 1308 CG LEU A 832 8.677 -18.841 4.590 1.00 0.00 C ATOM 1309 CD1 LEU A 832 7.529 -18.089 3.902 1.00 0.00 C ATOM 1310 CD2 LEU A 832 8.799 -20.248 3.978 1.00 0.00 C ATOM 0 H LEU A 832 9.495 -16.154 3.127 1.00 0.00 H new ATOM 0 HA LEU A 832 9.432 -16.652 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 832 10.361 -18.099 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 832 10.779 -18.718 5.053 1.00 0.00 H new ATOM 0 HG LEU A 832 8.422 -18.888 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 832 6.607 -18.660 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 832 7.404 -17.111 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 832 7.760 -17.961 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 832 7.835 -20.754 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 832 9.105 -20.166 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 832 9.543 -20.822 4.531 1.00 0.00 H new ATOM 1322 N LYS A 833 11.699 -16.121 6.811 1.00 0.00 N ATOM 1323 CA LYS A 833 12.985 -15.707 7.411 1.00 0.00 C ATOM 1324 C LYS A 833 13.934 -16.870 7.780 1.00 0.00 C ATOM 1325 O LYS A 833 15.035 -16.654 8.290 1.00 0.00 O ATOM 1326 CB LYS A 833 12.691 -14.790 8.616 1.00 0.00 C ATOM 1327 CG LYS A 833 12.022 -15.521 9.798 1.00 0.00 C ATOM 1328 CD LYS A 833 11.774 -14.550 10.958 1.00 0.00 C ATOM 1329 CE LYS A 833 11.177 -15.302 12.152 1.00 0.00 C ATOM 1330 NZ LYS A 833 10.962 -14.405 13.314 1.00 0.00 N ATOM 0 H LYS A 833 10.970 -16.288 7.505 1.00 0.00 H new ATOM 0 HA LYS A 833 13.540 -15.162 6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 833 13.624 -14.342 8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 833 12.046 -13.974 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 833 11.078 -15.960 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 833 12.657 -16.342 10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 833 12.709 -14.072 11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 833 11.096 -13.757 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 833 10.229 -15.753 11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 833 11.843 -16.116 12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 10.557 -14.949 14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 11.871 -13.994 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 10.307 -13.642 13.047 1.00 0.00 H new ATOM 1344 N GLU A 834 13.496 -18.103 7.524 1.00 0.00 N ATOM 1345 CA GLU A 834 14.134 -19.375 7.891 1.00 0.00 C ATOM 1346 C GLU A 834 13.505 -20.530 7.097 1.00 0.00 C ATOM 1347 O GLU A 834 12.330 -20.458 6.731 1.00 0.00 O ATOM 1348 CB GLU A 834 14.055 -19.608 9.417 1.00 0.00 C ATOM 1349 CG GLU A 834 12.622 -19.752 9.956 1.00 0.00 C ATOM 1350 CD GLU A 834 12.584 -19.763 11.491 1.00 0.00 C ATOM 1351 OE1 GLU A 834 12.825 -20.822 12.111 1.00 0.00 O ATOM 1352 OE2 GLU A 834 12.305 -18.706 12.103 1.00 0.00 O ATOM 0 H GLU A 834 12.623 -18.254 7.018 1.00 0.00 H new ATOM 0 HA GLU A 834 15.191 -19.331 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 834 14.618 -20.508 9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 834 14.542 -18.776 9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 834 12.010 -18.930 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 834 12.182 -20.674 9.576 1.00 0.00 H new ATOM 1359 N LYS A 835 14.255 -21.602 6.824 1.00 0.00 N ATOM 1360 CA LYS A 835 13.797 -22.728 5.988 1.00 0.00 C ATOM 1361 C LYS A 835 12.651 -23.549 6.632 1.00 0.00 C ATOM 1362 O LYS A 835 11.875 -24.200 5.923 1.00 0.00 O ATOM 1363 CB LYS A 835 15.002 -23.623 5.633 1.00 0.00 C ATOM 1364 CG LYS A 835 15.816 -23.148 4.417 1.00 0.00 C ATOM 1365 CD LYS A 835 16.465 -21.761 4.558 1.00 0.00 C ATOM 1366 CE LYS A 835 17.344 -21.483 3.331 1.00 0.00 C ATOM 1367 NZ LYS A 835 17.971 -20.142 3.399 1.00 0.00 N ATOM 0 H LYS A 835 15.205 -21.719 7.177 1.00 0.00 H new ATOM 0 HA LYS A 835 13.370 -22.308 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 835 15.664 -23.679 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 835 14.643 -24.634 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 835 16.600 -23.879 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 835 15.162 -23.137 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 835 15.695 -20.995 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 835 17.066 -21.719 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 835 18.120 -22.245 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 835 16.740 -21.557 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 18.557 -19.990 2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 17.230 -19.414 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 18.567 -20.080 4.249 1.00 0.00 H new ATOM 1381 N THR A 836 12.512 -23.462 7.963 1.00 0.00 N ATOM 1382 CA THR A 836 11.399 -24.009 8.762 1.00 0.00 C ATOM 1383 C THR A 836 10.097 -23.223 8.565 1.00 0.00 C ATOM 1384 O THR A 836 9.012 -23.762 8.772 1.00 0.00 O ATOM 1385 CB THR A 836 11.815 -24.006 10.246 1.00 0.00 C ATOM 1386 OG1 THR A 836 13.067 -24.649 10.373 1.00 0.00 O ATOM 1387 CG2 THR A 836 10.828 -24.702 11.187 1.00 0.00 C ATOM 0 H THR A 836 13.204 -22.986 8.542 1.00 0.00 H new ATOM 0 HA THR A 836 11.198 -25.026 8.426 1.00 0.00 H new ATOM 0 HB THR A 836 11.848 -22.958 10.543 1.00 0.00 H new ATOM 0 HG1 THR A 836 13.340 -24.650 11.314 1.00 0.00 H new ATOM 0 HG21 THR A 836 11.202 -24.651 12.209 1.00 0.00 H new ATOM 0 HG22 THR A 836 9.859 -24.206 11.130 1.00 0.00 H new ATOM 0 HG23 THR A 836 10.719 -25.746 10.892 1.00 0.00 H new ATOM 1395 N GLY A 837 10.189 -21.948 8.161 1.00 0.00 N ATOM 1396 CA GLY A 837 9.083 -20.987 8.109 1.00 0.00 C ATOM 1397 C GLY A 837 8.709 -20.438 9.497 1.00 0.00 C ATOM 1398 O GLY A 837 9.314 -20.844 10.502 1.00 0.00 O ATOM 0 H GLY A 837 11.072 -21.544 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 837 9.357 -20.158 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 837 8.211 -21.467 7.665 1.00 0.00 H new ATOM 1402 N PRO A 838 7.720 -19.528 9.576 1.00 0.00 N ATOM 1403 CA PRO A 838 7.161 -19.043 10.835 1.00 0.00 C ATOM 1404 C PRO A 838 6.605 -20.179 11.699 1.00 0.00 C ATOM 1405 O PRO A 838 6.163 -21.208 11.180 1.00 0.00 O ATOM 1406 CB PRO A 838 6.063 -18.043 10.460 1.00 0.00 C ATOM 1407 CG PRO A 838 6.438 -17.605 9.046 1.00 0.00 C ATOM 1408 CD PRO A 838 7.090 -18.849 8.455 1.00 0.00 C ATOM 0 HA PRO A 838 7.937 -18.574 11.440 1.00 0.00 H new ATOM 0 HB2 PRO A 838 5.076 -18.504 10.488 1.00 0.00 H new ATOM 0 HB3 PRO A 838 6.040 -17.198 11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 838 5.562 -17.300 8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 838 7.124 -16.758 9.056 1.00 0.00 H new ATOM 0 HD2 PRO A 838 6.350 -19.489 7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 838 7.824 -18.583 7.694 1.00 0.00 H new ATOM 1416 N LYS A 839 6.618 -19.986 13.019 1.00 0.00 N ATOM 1417 CA LYS A 839 6.278 -21.019 14.006 1.00 0.00 C ATOM 1418 C LYS A 839 5.719 -20.435 15.322 1.00 0.00 C ATOM 1419 O LYS A 839 5.980 -19.277 15.678 1.00 0.00 O ATOM 1420 CB LYS A 839 7.496 -21.942 14.232 1.00 0.00 C ATOM 1421 CG LYS A 839 8.747 -21.223 14.771 1.00 0.00 C ATOM 1422 CD LYS A 839 9.934 -22.192 14.857 1.00 0.00 C ATOM 1423 CE LYS A 839 11.164 -21.556 15.524 1.00 0.00 C ATOM 1424 NZ LYS A 839 11.758 -20.460 14.713 1.00 0.00 N ATOM 0 H LYS A 839 6.869 -19.093 13.442 1.00 0.00 H new ATOM 0 HA LYS A 839 5.463 -21.619 13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 839 7.215 -22.730 14.931 1.00 0.00 H new ATOM 0 HB3 LYS A 839 7.749 -22.428 13.289 1.00 0.00 H new ATOM 0 HG2 LYS A 839 9.001 -20.386 14.120 1.00 0.00 H new ATOM 0 HG3 LYS A 839 8.538 -20.808 15.757 1.00 0.00 H new ATOM 0 HD2 LYS A 839 9.637 -23.077 15.419 1.00 0.00 H new ATOM 0 HD3 LYS A 839 10.200 -22.526 13.854 1.00 0.00 H new ATOM 0 HE2 LYS A 839 10.880 -21.166 16.501 1.00 0.00 H new ATOM 0 HE3 LYS A 839 11.917 -22.325 15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 12.562 -20.046 15.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 12.087 -20.841 13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 11.041 -19.726 14.543 1.00 0.00 H new ATOM 1438 N LEU A 840 4.946 -21.250 16.052 1.00 0.00 N ATOM 1439 CA LEU A 840 4.201 -20.843 17.258 1.00 0.00 C ATOM 1440 C LEU A 840 5.076 -20.751 18.521 1.00 0.00 C ATOM 1441 O LEU A 840 4.676 -20.104 19.492 1.00 0.00 O ATOM 1442 CB LEU A 840 3.031 -21.830 17.485 1.00 0.00 C ATOM 1443 CG LEU A 840 2.041 -21.999 16.310 1.00 0.00 C ATOM 1444 CD1 LEU A 840 0.958 -23.020 16.695 1.00 0.00 C ATOM 1445 CD2 LEU A 840 1.377 -20.672 15.916 1.00 0.00 C ATOM 0 H LEU A 840 4.816 -22.234 15.818 1.00 0.00 H new ATOM 0 HA LEU A 840 3.826 -19.835 17.082 1.00 0.00 H new ATOM 0 HB2 LEU A 840 3.449 -22.808 17.723 1.00 0.00 H new ATOM 0 HB3 LEU A 840 2.471 -21.501 18.360 1.00 0.00 H new ATOM 0 HG LEU A 840 2.608 -22.353 15.449 1.00 0.00 H new ATOM 0 HD11 LEU A 840 0.260 -23.139 15.867 1.00 0.00 H new ATOM 0 HD12 LEU A 840 1.425 -23.980 16.917 1.00 0.00 H new ATOM 0 HD13 LEU A 840 0.420 -22.666 17.575 1.00 0.00 H new ATOM 0 HD21 LEU A 840 0.690 -20.841 15.087 1.00 0.00 H new ATOM 0 HD22 LEU A 840 0.826 -20.274 16.768 1.00 0.00 H new ATOM 0 HD23 LEU A 840 2.143 -19.958 15.613 1.00 0.00 H new ATOM 1457 N GLY A 841 6.264 -21.366 18.516 1.00 0.00 N ATOM 1458 CA GLY A 841 7.207 -21.375 19.638 1.00 0.00 C ATOM 1459 C GLY A 841 8.517 -22.112 19.347 1.00 0.00 C ATOM 1460 O GLY A 841 8.815 -22.447 18.196 1.00 0.00 O ATOM 0 H GLY A 841 6.605 -21.886 17.707 1.00 0.00 H new ATOM 0 HA2 GLY A 841 7.435 -20.346 19.915 1.00 0.00 H new ATOM 0 HA3 GLY A 841 6.726 -21.838 20.500 1.00 0.00 H new ATOM 1464 N GLY A 842 9.301 -22.361 20.400 1.00 0.00 N ATOM 1465 CA GLY A 842 10.601 -23.056 20.359 1.00 0.00 C ATOM 1466 C GLY A 842 11.197 -23.325 21.741 1.00 0.00 C ATOM 1467 O GLY A 842 10.987 -22.501 22.662 1.00 0.00 O ATOM 1468 OXT GLY A 842 11.880 -24.363 21.896 1.00 0.00 O ATOM 0 H GLY A 842 9.042 -22.075 21.344 1.00 0.00 H new ATOM 0 HA2 GLY A 842 10.480 -24.004 19.834 1.00 0.00 H new ATOM 0 HA3 GLY A 842 11.305 -22.458 19.780 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.424 -35.776 -11.307 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.419 -22.284 11.049 1.00 0.00 ZN