USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 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= 1.41 K(o=1.4,f=-1.8) USER MOD Set 1.2: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 807 THR OG1 : rot 110:sc= 0.673 USER MOD Set 2.2: A 816 LYS NZ :NH3+ 176:sc= 0.624 (180deg=0) USER MOD Set 3.1: A 767 THR OG1 : rot -74:sc= 0.612 USER MOD Set 3.2: A 774 THR OG1 : rot 180:sc= 0.56 USER MOD Set 4.1: A 756 GLN : amide:sc= 0.869 K(o=1.9,f=-6.2!) USER MOD Set 4.2: A 839 LYS NZ :NH3+ -169:sc= 1 (180deg=0) USER MOD Single : A -2 MET CE :methyl -174:sc= 0 (180deg=-0.0452) USER MOD Single : A -4 GLY N :NH3+ -132:sc= 0.0445 (180deg=0) USER MOD Single : A 755 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 757 SER OG : rot 180:sc= 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 69:sc= 0.471 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot -160:sc= 0.16 USER MOD Single : A 772 LYS NZ :NH3+ 165:sc= 1.05 (180deg=0.853) USER MOD Single : A 773 TYR OH : rot 30:sc= -0.0349 USER MOD Single : A 775 HIS : no HE2:sc= -0.0496 X(o=-0.05,f=-0.17) 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= 0.0278 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0.079 X(o=0.079,f=0) USER MOD Single : A 790 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 792 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.17) USER MOD Single : A 793 ASN : amide:sc= 0.423 X(o=0.42,f=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 SER OG : rot 180:sc= 0.123 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) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 831 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 833 LYS NZ :NH3+ 166:sc= 0.962 (180deg=0.855) 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 ----------------------------------------------------------------- ATOM 1 N GLY A -4 23.438 -14.781 -8.332 1.00 0.00 N ATOM 2 CA GLY A -4 22.201 -14.861 -7.520 1.00 0.00 C ATOM 3 C GLY A -4 21.403 -13.560 -7.546 1.00 0.00 C ATOM 4 O GLY A -4 21.483 -12.831 -8.543 1.00 0.00 O ATOM 0 H1 GLY A -4 23.506 -15.618 -8.945 1.00 0.00 H new ATOM 0 H2 GLY A -4 23.413 -13.923 -8.919 1.00 0.00 H new ATOM 0 H3 GLY A -4 24.265 -14.745 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A -4 21.577 -15.674 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A -4 22.461 -15.104 -6.490 1.00 0.00 H new ATOM 10 N PRO A -3 20.639 -13.244 -6.477 1.00 0.00 N ATOM 11 CA PRO A -3 19.870 -12.002 -6.334 1.00 0.00 C ATOM 12 C PRO A -3 20.741 -10.734 -6.391 1.00 0.00 C ATOM 13 O PRO A -3 21.962 -10.791 -6.222 1.00 0.00 O ATOM 14 CB PRO A -3 19.143 -12.104 -4.985 1.00 0.00 C ATOM 15 CG PRO A -3 19.064 -13.610 -4.729 1.00 0.00 C ATOM 16 CD PRO A -3 20.369 -14.121 -5.340 1.00 0.00 C ATOM 0 HA PRO A -3 19.177 -11.902 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A -3 19.692 -11.592 -4.195 1.00 0.00 H new ATOM 0 HB3 PRO A -3 18.152 -11.653 -5.029 1.00 0.00 H new ATOM 0 HG2 PRO A -3 18.998 -13.837 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A -3 18.191 -14.057 -5.205 1.00 0.00 H new ATOM 0 HD2 PRO A -3 21.182 -14.085 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO A -3 20.273 -15.159 -5.659 1.00 0.00 H new ATOM 24 N MET A -2 20.097 -9.576 -6.586 1.00 0.00 N ATOM 25 CA MET A -2 20.750 -8.259 -6.716 1.00 0.00 C ATOM 26 C MET A -2 19.823 -7.099 -6.319 1.00 0.00 C ATOM 27 O MET A -2 18.598 -7.249 -6.283 1.00 0.00 O ATOM 28 CB MET A -2 21.299 -8.077 -8.148 1.00 0.00 C ATOM 29 CG MET A -2 20.200 -8.098 -9.224 1.00 0.00 C ATOM 30 SD MET A -2 20.786 -7.874 -10.925 1.00 0.00 S ATOM 31 CE MET A -2 21.194 -6.112 -10.886 1.00 0.00 C ATOM 0 H MET A -2 19.081 -9.524 -6.660 1.00 0.00 H new ATOM 0 HA MET A -2 21.584 -8.235 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A -2 21.838 -7.131 -8.206 1.00 0.00 H new ATOM 0 HB3 MET A -2 22.019 -8.868 -8.358 1.00 0.00 H new ATOM 0 HG2 MET A -2 19.669 -9.048 -9.161 1.00 0.00 H new ATOM 0 HG3 MET A -2 19.477 -7.314 -8.999 1.00 0.00 H new ATOM 0 HE1 MET A -2 21.471 -5.780 -11.887 1.00 0.00 H new ATOM 0 HE2 MET A -2 20.328 -5.546 -10.543 1.00 0.00 H new ATOM 0 HE3 MET A -2 22.029 -5.947 -10.205 1.00 0.00 H new ATOM 41 N GLY A -1 20.415 -5.927 -6.051 1.00 0.00 N ATOM 42 CA GLY A -1 19.710 -4.701 -5.644 1.00 0.00 C ATOM 43 C GLY A -1 19.523 -4.574 -4.126 1.00 0.00 C ATOM 44 O GLY A -1 19.641 -5.548 -3.378 1.00 0.00 O ATOM 0 H GLY A -1 21.425 -5.801 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A -1 20.265 -3.836 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A -1 18.732 -4.678 -6.125 1.00 0.00 H new ATOM 48 N MET A 755 19.216 -3.355 -3.669 1.00 0.00 N ATOM 49 CA MET A 755 19.039 -2.998 -2.243 1.00 0.00 C ATOM 50 C MET A 755 17.609 -3.230 -1.708 1.00 0.00 C ATOM 51 O MET A 755 17.328 -2.947 -0.538 1.00 0.00 O ATOM 52 CB MET A 755 19.547 -1.558 -2.013 1.00 0.00 C ATOM 53 CG MET A 755 18.898 -0.461 -2.875 1.00 0.00 C ATOM 54 SD MET A 755 17.143 -0.123 -2.569 1.00 0.00 S ATOM 55 CE MET A 755 16.877 1.185 -3.794 1.00 0.00 C ATOM 0 H MET A 755 19.078 -2.561 -4.294 1.00 0.00 H new ATOM 0 HA MET A 755 19.644 -3.684 -1.650 1.00 0.00 H new ATOM 0 HB2 MET A 755 19.394 -1.304 -0.964 1.00 0.00 H new ATOM 0 HB3 MET A 755 20.622 -1.542 -2.191 1.00 0.00 H new ATOM 0 HG2 MET A 755 19.455 0.464 -2.725 1.00 0.00 H new ATOM 0 HG3 MET A 755 19.014 -0.737 -3.923 1.00 0.00 H new ATOM 0 HE1 MET A 755 15.841 1.520 -3.750 1.00 0.00 H new ATOM 0 HE2 MET A 755 17.539 2.024 -3.580 1.00 0.00 H new ATOM 0 HE3 MET A 755 17.092 0.799 -4.791 1.00 0.00 H new ATOM 65 N GLN A 756 16.703 -3.754 -2.537 1.00 0.00 N ATOM 66 CA GLN A 756 15.292 -4.012 -2.230 1.00 0.00 C ATOM 67 C GLN A 756 14.762 -5.180 -3.075 1.00 0.00 C ATOM 68 O GLN A 756 15.157 -5.350 -4.229 1.00 0.00 O ATOM 69 CB GLN A 756 14.486 -2.718 -2.468 1.00 0.00 C ATOM 70 CG GLN A 756 13.003 -2.807 -2.080 1.00 0.00 C ATOM 71 CD GLN A 756 12.317 -1.446 -2.188 1.00 0.00 C ATOM 72 OE1 GLN A 756 12.555 -0.551 -1.384 1.00 0.00 O ATOM 73 NE2 GLN A 756 11.482 -1.204 -3.179 1.00 0.00 N ATOM 0 H GLN A 756 16.945 -4.024 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 756 15.184 -4.303 -1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 756 14.948 -1.909 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 756 14.557 -2.451 -3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 756 12.498 -3.523 -2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 756 12.914 -3.181 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 756 11.271 -1.935 -3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 756 11.047 -0.286 -3.267 1.00 0.00 H new ATOM 82 N SER A 757 13.849 -5.977 -2.515 1.00 0.00 N ATOM 83 CA SER A 757 13.192 -7.117 -3.176 1.00 0.00 C ATOM 84 C SER A 757 11.832 -7.435 -2.523 1.00 0.00 C ATOM 85 O SER A 757 11.555 -7.012 -1.391 1.00 0.00 O ATOM 86 CB SER A 757 14.109 -8.359 -3.179 1.00 0.00 C ATOM 87 OG SER A 757 14.505 -8.764 -1.874 1.00 0.00 O ATOM 0 H SER A 757 13.533 -5.845 -1.554 1.00 0.00 H new ATOM 0 HA SER A 757 13.004 -6.835 -4.212 1.00 0.00 H new ATOM 0 HB2 SER A 757 13.591 -9.184 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 757 14.998 -8.145 -3.772 1.00 0.00 H new ATOM 0 HG SER A 757 15.081 -9.554 -1.937 1.00 0.00 H new ATOM 93 N ILE A 758 10.955 -8.155 -3.235 1.00 0.00 N ATOM 94 CA ILE A 758 9.594 -8.482 -2.780 1.00 0.00 C ATOM 95 C ILE A 758 9.609 -9.771 -1.936 1.00 0.00 C ATOM 96 O ILE A 758 10.427 -10.661 -2.161 1.00 0.00 O ATOM 97 CB ILE A 758 8.614 -8.580 -3.983 1.00 0.00 C ATOM 98 CG1 ILE A 758 8.812 -7.477 -5.056 1.00 0.00 C ATOM 99 CG2 ILE A 758 7.151 -8.551 -3.508 1.00 0.00 C ATOM 100 CD1 ILE A 758 8.686 -6.031 -4.560 1.00 0.00 C ATOM 0 H ILE A 758 11.173 -8.533 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 758 9.232 -7.675 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 758 8.847 -9.535 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 758 9.799 -7.603 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 758 8.081 -7.634 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 758 6.487 -8.621 -4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 758 6.969 -9.393 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 758 6.959 -7.619 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 758 8.843 -5.346 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.691 -5.875 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 758 9.435 -5.844 -3.790 1.00 0.00 H new ATOM 112 N ARG A 759 8.681 -9.897 -0.984 1.00 0.00 N ATOM 113 CA ARG A 759 8.535 -11.017 -0.029 1.00 0.00 C ATOM 114 C ARG A 759 7.903 -12.298 -0.624 1.00 0.00 C ATOM 115 O ARG A 759 7.038 -12.939 -0.025 1.00 0.00 O ATOM 116 CB ARG A 759 7.831 -10.483 1.224 1.00 0.00 C ATOM 117 CG ARG A 759 6.375 -10.031 0.971 1.00 0.00 C ATOM 118 CD ARG A 759 5.903 -9.129 2.108 1.00 0.00 C ATOM 119 NE ARG A 759 4.433 -8.979 2.124 1.00 0.00 N ATOM 120 CZ ARG A 759 3.691 -8.197 1.349 1.00 0.00 C ATOM 121 NH1 ARG A 759 4.215 -7.416 0.429 1.00 0.00 N ATOM 122 NH2 ARG A 759 2.383 -8.190 1.500 1.00 0.00 N ATOM 0 H ARG A 759 7.966 -9.183 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 759 9.527 -11.375 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.834 -11.258 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 759 8.400 -9.642 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 759 6.311 -9.498 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.724 -10.902 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 759 6.235 -9.543 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 759 6.366 -8.147 2.008 1.00 0.00 H new ATOM 0 HE ARG A 759 3.930 -9.542 2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 759 5.225 -7.397 0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 759 3.611 -6.830 -0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 759 1.948 -8.782 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 759 1.805 -7.593 0.909 1.00 0.00 H new ATOM 136 N GLU A 760 8.337 -12.632 -1.833 1.00 0.00 N ATOM 137 CA GLU A 760 7.975 -13.772 -2.681 1.00 0.00 C ATOM 138 C GLU A 760 9.063 -13.948 -3.758 1.00 0.00 C ATOM 139 O GLU A 760 9.665 -12.969 -4.207 1.00 0.00 O ATOM 140 CB GLU A 760 6.577 -13.606 -3.308 1.00 0.00 C ATOM 141 CG GLU A 760 6.307 -12.191 -3.843 1.00 0.00 C ATOM 142 CD GLU A 760 5.042 -12.107 -4.695 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.929 -12.374 -4.179 1.00 0.00 O ATOM 144 OE2 GLU A 760 5.143 -11.729 -5.882 1.00 0.00 O ATOM 0 H GLU A 760 9.030 -12.047 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 760 7.922 -14.671 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.466 -14.321 -4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.822 -13.854 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.219 -11.502 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 760 7.161 -11.864 -4.436 1.00 0.00 H new ATOM 151 N GLN A 761 9.345 -15.196 -4.153 1.00 0.00 N ATOM 152 CA GLN A 761 10.525 -15.557 -4.950 1.00 0.00 C ATOM 153 C GLN A 761 10.161 -16.357 -6.211 1.00 0.00 C ATOM 154 O GLN A 761 9.339 -17.275 -6.174 1.00 0.00 O ATOM 155 CB GLN A 761 11.526 -16.323 -4.064 1.00 0.00 C ATOM 156 CG GLN A 761 11.030 -17.697 -3.572 1.00 0.00 C ATOM 157 CD GLN A 761 11.919 -18.262 -2.468 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.908 -18.947 -2.708 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.617 -17.987 -1.211 1.00 0.00 N ATOM 0 H GLN A 761 8.752 -15.994 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 761 10.990 -14.637 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 761 12.451 -16.465 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.768 -15.708 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 761 10.009 -17.603 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 761 11.004 -18.394 -4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.798 -17.419 -0.996 1.00 0.00 H new ATOM 0 HE22 GLN A 761 12.203 -18.343 -0.456 1.00 0.00 H new ATOM 168 N SER A 762 10.799 -16.041 -7.338 1.00 0.00 N ATOM 169 CA SER A 762 10.608 -16.754 -8.611 1.00 0.00 C ATOM 170 C SER A 762 11.081 -18.215 -8.534 1.00 0.00 C ATOM 171 O SER A 762 12.204 -18.497 -8.097 1.00 0.00 O ATOM 172 CB SER A 762 11.339 -16.029 -9.748 1.00 0.00 C ATOM 173 OG SER A 762 10.930 -14.670 -9.848 1.00 0.00 O ATOM 0 H SER A 762 11.471 -15.276 -7.398 1.00 0.00 H new ATOM 0 HA SER A 762 9.537 -16.762 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 762 12.415 -16.075 -9.578 1.00 0.00 H new ATOM 0 HB3 SER A 762 11.144 -16.539 -10.691 1.00 0.00 H new ATOM 0 HG SER A 762 11.415 -14.235 -10.580 1.00 0.00 H new ATOM 179 N CYS A 763 10.225 -19.144 -8.962 1.00 0.00 N ATOM 180 CA CYS A 763 10.400 -20.595 -8.854 1.00 0.00 C ATOM 181 C CYS A 763 10.151 -21.300 -10.198 1.00 0.00 C ATOM 182 O CYS A 763 9.690 -20.689 -11.170 1.00 0.00 O ATOM 183 CB CYS A 763 9.430 -21.116 -7.772 1.00 0.00 C ATOM 184 SG CYS A 763 9.932 -20.523 -6.129 1.00 0.00 S ATOM 0 H CYS A 763 9.347 -18.893 -9.416 1.00 0.00 H new ATOM 0 HA CYS A 763 11.430 -20.815 -8.575 1.00 0.00 H new ATOM 0 HB2 CYS A 763 8.416 -20.781 -7.992 1.00 0.00 H new ATOM 0 HB3 CYS A 763 9.415 -22.206 -7.783 1.00 0.00 H new ATOM 0 HG CYS A 763 9.735 -19.240 -6.052 1.00 0.00 H new ATOM 190 N ARG A 764 10.412 -22.609 -10.242 1.00 0.00 N ATOM 191 CA ARG A 764 9.859 -23.509 -11.255 1.00 0.00 C ATOM 192 C ARG A 764 8.532 -24.110 -10.750 1.00 0.00 C ATOM 193 O ARG A 764 8.386 -24.379 -9.554 1.00 0.00 O ATOM 194 CB ARG A 764 10.895 -24.584 -11.631 1.00 0.00 C ATOM 195 CG ARG A 764 10.687 -25.073 -13.075 1.00 0.00 C ATOM 196 CD ARG A 764 11.625 -26.214 -13.470 1.00 0.00 C ATOM 197 NE ARG A 764 13.034 -25.785 -13.492 1.00 0.00 N ATOM 198 CZ ARG A 764 14.105 -26.563 -13.383 1.00 0.00 C ATOM 199 NH1 ARG A 764 14.008 -27.872 -13.257 1.00 0.00 N ATOM 200 NH2 ARG A 764 15.306 -26.035 -13.413 1.00 0.00 N ATOM 0 H ARG A 764 11.019 -23.077 -9.569 1.00 0.00 H new ATOM 0 HA ARG A 764 9.636 -22.953 -12.166 1.00 0.00 H new ATOM 0 HB2 ARG A 764 11.901 -24.178 -11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 764 10.816 -25.426 -10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.655 -25.403 -13.194 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.835 -24.237 -13.759 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.508 -27.040 -12.768 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.345 -26.590 -14.454 1.00 0.00 H new ATOM 0 HE ARG A 764 13.205 -24.786 -13.603 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.090 -28.316 -13.241 1.00 0.00 H new ATOM 0 HH12 ARG A 764 14.851 -28.440 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 764 15.417 -25.027 -13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 764 16.128 -26.633 -13.329 1.00 0.00 H new ATOM 214 N VAL A 765 7.572 -24.302 -11.648 1.00 0.00 N ATOM 215 CA VAL A 765 6.205 -24.800 -11.407 1.00 0.00 C ATOM 216 C VAL A 765 5.854 -25.910 -12.397 1.00 0.00 C ATOM 217 O VAL A 765 6.517 -26.057 -13.418 1.00 0.00 O ATOM 218 CB VAL A 765 5.148 -23.666 -11.437 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.445 -22.582 -10.386 1.00 0.00 C ATOM 220 CG2 VAL A 765 4.998 -23.004 -12.820 1.00 0.00 C ATOM 0 H VAL A 765 7.731 -24.102 -12.636 1.00 0.00 H new ATOM 0 HA VAL A 765 6.186 -25.216 -10.400 1.00 0.00 H new ATOM 0 HB VAL A 765 4.203 -24.155 -11.200 1.00 0.00 H new ATOM 0 HG11 VAL A 765 4.682 -21.805 -10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.440 -23.028 -9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.423 -22.143 -10.582 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.242 -22.220 -12.768 1.00 0.00 H new ATOM 0 HG22 VAL A 765 5.951 -22.570 -13.121 1.00 0.00 H new ATOM 0 HG23 VAL A 765 4.694 -23.753 -13.551 1.00 0.00 H new ATOM 230 N VAL A 766 4.814 -26.685 -12.098 1.00 0.00 N ATOM 231 CA VAL A 766 4.396 -27.871 -12.860 1.00 0.00 C ATOM 232 C VAL A 766 2.883 -27.880 -13.066 1.00 0.00 C ATOM 233 O VAL A 766 2.126 -27.623 -12.129 1.00 0.00 O ATOM 234 CB VAL A 766 4.854 -29.175 -12.163 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.449 -29.280 -10.689 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.375 -30.446 -12.883 1.00 0.00 C ATOM 0 H VAL A 766 4.216 -26.503 -11.292 1.00 0.00 H new ATOM 0 HA VAL A 766 4.877 -27.822 -13.837 1.00 0.00 H new ATOM 0 HB VAL A 766 5.941 -29.109 -12.217 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.810 -30.223 -10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.886 -28.451 -10.132 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.363 -29.240 -10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.729 -31.325 -12.344 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.286 -30.456 -12.917 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.770 -30.459 -13.899 1.00 0.00 H new ATOM 246 N THR A 767 2.451 -28.220 -14.285 1.00 0.00 N ATOM 247 CA THR A 767 1.053 -28.490 -14.632 1.00 0.00 C ATOM 248 C THR A 767 0.879 -29.986 -14.860 1.00 0.00 C ATOM 249 O THR A 767 1.425 -30.511 -15.831 1.00 0.00 O ATOM 250 CB THR A 767 0.637 -27.712 -15.888 1.00 0.00 C ATOM 251 OG1 THR A 767 0.865 -26.334 -15.689 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.846 -27.896 -16.220 1.00 0.00 C ATOM 0 H THR A 767 3.083 -28.318 -15.080 1.00 0.00 H new ATOM 0 HA THR A 767 0.415 -28.163 -13.811 1.00 0.00 H new ATOM 0 HB THR A 767 1.233 -28.101 -16.714 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.183 -25.973 -15.085 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.092 -27.326 -17.116 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.052 -28.952 -16.394 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.452 -27.541 -15.387 1.00 0.00 H new ATOM 260 N CYS A 768 0.098 -30.653 -13.995 1.00 0.00 N ATOM 261 CA CYS A 768 -0.343 -32.035 -14.208 1.00 0.00 C ATOM 262 C CYS A 768 -1.454 -32.042 -15.274 1.00 0.00 C ATOM 263 O CYS A 768 -2.529 -31.463 -15.092 1.00 0.00 O ATOM 264 CB CYS A 768 -0.790 -32.657 -12.872 1.00 0.00 C ATOM 265 SG CYS A 768 -1.141 -34.441 -13.076 1.00 0.00 S ATOM 0 H CYS A 768 -0.245 -30.244 -13.126 1.00 0.00 H new ATOM 0 HA CYS A 768 0.477 -32.651 -14.578 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.012 -32.518 -12.122 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.680 -32.145 -12.507 1.00 0.00 H new ATOM 270 N LYS A 769 -1.197 -32.691 -16.409 1.00 0.00 N ATOM 271 CA LYS A 769 -2.127 -32.783 -17.537 1.00 0.00 C ATOM 272 C LYS A 769 -3.228 -33.832 -17.293 1.00 0.00 C ATOM 273 O LYS A 769 -4.273 -33.791 -17.951 1.00 0.00 O ATOM 274 CB LYS A 769 -1.326 -33.078 -18.822 1.00 0.00 C ATOM 275 CG LYS A 769 -0.204 -32.067 -19.140 1.00 0.00 C ATOM 276 CD LYS A 769 -0.706 -30.638 -19.396 1.00 0.00 C ATOM 277 CE LYS A 769 0.485 -29.716 -19.686 1.00 0.00 C ATOM 278 NZ LYS A 769 0.049 -28.346 -20.062 1.00 0.00 N ATOM 0 H LYS A 769 -0.317 -33.179 -16.575 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.644 -31.830 -17.649 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -0.885 -34.071 -18.737 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.017 -33.107 -19.664 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.502 -32.050 -18.310 1.00 0.00 H new ATOM 0 HG3 LYS A 769 0.344 -32.411 -20.017 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.398 -30.631 -20.238 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -1.257 -30.275 -18.528 1.00 0.00 H new ATOM 0 HE2 LYS A 769 1.126 -29.664 -18.806 1.00 0.00 H new ATOM 0 HE3 LYS A 769 1.084 -30.140 -20.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 0.884 -27.755 -20.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -0.542 -28.392 -20.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.501 -27.931 -19.283 1.00 0.00 H new ATOM 292 N THR A 770 -3.020 -34.750 -16.336 1.00 0.00 N ATOM 293 CA THR A 770 -3.959 -35.815 -15.958 1.00 0.00 C ATOM 294 C THR A 770 -5.029 -35.309 -14.990 1.00 0.00 C ATOM 295 O THR A 770 -6.192 -35.677 -15.155 1.00 0.00 O ATOM 296 CB THR A 770 -3.187 -37.009 -15.375 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.170 -37.390 -16.287 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.077 -38.232 -15.132 1.00 0.00 C ATOM 0 H THR A 770 -2.162 -34.771 -15.785 1.00 0.00 H new ATOM 0 HA THR A 770 -4.483 -36.146 -16.854 1.00 0.00 H new ATOM 0 HB THR A 770 -2.781 -36.687 -14.416 1.00 0.00 H new ATOM 0 HG1 THR A 770 -1.888 -38.309 -16.097 1.00 0.00 H new ATOM 0 HG21 THR A 770 -3.476 -39.043 -14.720 1.00 0.00 H new ATOM 0 HG22 THR A 770 -4.868 -37.972 -14.428 1.00 0.00 H new ATOM 0 HG23 THR A 770 -4.521 -38.552 -16.075 1.00 0.00 H new ATOM 306 N CYS A 771 -4.677 -34.434 -14.037 1.00 0.00 N ATOM 307 CA CYS A 771 -5.609 -33.851 -13.055 1.00 0.00 C ATOM 308 C CYS A 771 -6.067 -32.412 -13.389 1.00 0.00 C ATOM 309 O CYS A 771 -7.053 -31.932 -12.813 1.00 0.00 O ATOM 310 CB CYS A 771 -4.948 -33.866 -11.669 1.00 0.00 C ATOM 311 SG CYS A 771 -4.515 -35.543 -11.077 1.00 0.00 S ATOM 0 H CYS A 771 -3.719 -34.104 -13.923 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.508 -34.467 -13.079 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.044 -33.257 -11.701 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.622 -33.399 -10.950 1.00 0.00 H new ATOM 316 N LYS A 772 -5.363 -31.717 -14.290 1.00 0.00 N ATOM 317 CA LYS A 772 -5.684 -30.381 -14.816 1.00 0.00 C ATOM 318 C LYS A 772 -5.528 -29.265 -13.750 1.00 0.00 C ATOM 319 O LYS A 772 -6.410 -28.415 -13.579 1.00 0.00 O ATOM 320 CB LYS A 772 -7.052 -30.358 -15.540 1.00 0.00 C ATOM 321 CG LYS A 772 -7.184 -31.251 -16.795 1.00 0.00 C ATOM 322 CD LYS A 772 -7.324 -32.759 -16.513 1.00 0.00 C ATOM 323 CE LYS A 772 -7.856 -33.547 -17.721 1.00 0.00 C ATOM 324 NZ LYS A 772 -6.961 -33.455 -18.904 1.00 0.00 N ATOM 0 H LYS A 772 -4.505 -32.091 -14.696 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.938 -30.152 -15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.820 -30.656 -14.827 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.268 -29.329 -15.829 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -8.052 -30.922 -17.366 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.309 -31.095 -17.426 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -6.353 -33.161 -16.223 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -7.995 -32.904 -15.667 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -7.977 -34.594 -17.442 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -8.844 -33.172 -17.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -7.220 -34.190 -19.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -7.062 -32.518 -19.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -5.975 -33.593 -18.605 1.00 0.00 H new ATOM 338 N TYR A 773 -4.392 -29.250 -13.037 1.00 0.00 N ATOM 339 CA TYR A 773 -3.987 -28.168 -12.110 1.00 0.00 C ATOM 340 C TYR A 773 -2.506 -27.777 -12.271 1.00 0.00 C ATOM 341 O TYR A 773 -1.706 -28.579 -12.766 1.00 0.00 O ATOM 342 CB TYR A 773 -4.283 -28.573 -10.654 1.00 0.00 C ATOM 343 CG TYR A 773 -3.330 -29.602 -10.058 1.00 0.00 C ATOM 344 CD1 TYR A 773 -2.099 -29.194 -9.500 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.677 -30.962 -10.044 1.00 0.00 C ATOM 346 CE1 TYR A 773 -1.205 -30.142 -8.968 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.813 -31.912 -9.468 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.567 -31.507 -8.939 1.00 0.00 C ATOM 349 OH TYR A 773 -0.721 -32.424 -8.394 1.00 0.00 O ATOM 0 H TYR A 773 -3.709 -30.006 -13.086 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.577 -27.288 -12.366 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -4.259 -27.677 -10.033 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.297 -28.969 -10.603 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.841 -28.145 -9.481 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.613 -31.281 -10.478 1.00 0.00 H new ATOM 0 HE1 TYR A 773 -0.246 -29.827 -8.584 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -3.103 -32.952 -9.430 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.192 -32.001 -7.686 1.00 0.00 H new ATOM 359 N THR A 774 -2.145 -26.581 -11.786 1.00 0.00 N ATOM 360 CA THR A 774 -0.768 -26.063 -11.724 1.00 0.00 C ATOM 361 C THR A 774 -0.375 -25.770 -10.280 1.00 0.00 C ATOM 362 O THR A 774 -1.146 -25.163 -9.541 1.00 0.00 O ATOM 363 CB THR A 774 -0.628 -24.802 -12.592 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.107 -25.094 -13.886 1.00 0.00 O ATOM 365 CG2 THR A 774 0.827 -24.349 -12.738 1.00 0.00 C ATOM 0 H THR A 774 -2.828 -25.922 -11.412 1.00 0.00 H new ATOM 0 HA THR A 774 -0.093 -26.824 -12.116 1.00 0.00 H new ATOM 0 HB THR A 774 -1.193 -24.007 -12.105 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.026 -24.298 -14.452 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.869 -23.455 -13.360 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.239 -24.126 -11.754 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.410 -25.143 -13.204 1.00 0.00 H new ATOM 373 N HIS A 775 0.835 -26.164 -9.891 1.00 0.00 N ATOM 374 CA HIS A 775 1.423 -25.945 -8.561 1.00 0.00 C ATOM 375 C HIS A 775 2.968 -26.022 -8.630 1.00 0.00 C ATOM 376 O HIS A 775 3.526 -26.262 -9.701 1.00 0.00 O ATOM 377 CB HIS A 775 0.818 -26.935 -7.542 1.00 0.00 C ATOM 378 CG HIS A 775 0.187 -26.264 -6.349 1.00 0.00 C ATOM 379 ND1 HIS A 775 0.751 -26.089 -5.104 1.00 0.00 N ATOM 380 CD2 HIS A 775 -1.074 -25.734 -6.293 1.00 0.00 C ATOM 381 CE1 HIS A 775 -0.147 -25.466 -4.323 1.00 0.00 C ATOM 382 NE2 HIS A 775 -1.286 -25.227 -5.002 1.00 0.00 N ATOM 0 H HIS A 775 1.464 -26.667 -10.517 1.00 0.00 H new ATOM 0 HA HIS A 775 1.177 -24.941 -8.215 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.068 -27.546 -8.044 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.600 -27.611 -7.196 1.00 0.00 H new ATOM 0 HD1 HIS A 775 1.687 -26.382 -4.824 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.785 -25.710 -7.105 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.021 -25.194 -3.291 1.00 0.00 H new ATOM 390 N PHE A 776 3.687 -25.824 -7.518 1.00 0.00 N ATOM 391 CA PHE A 776 5.163 -25.838 -7.492 1.00 0.00 C ATOM 392 C PHE A 776 5.792 -27.240 -7.644 1.00 0.00 C ATOM 393 O PHE A 776 6.958 -27.338 -8.031 1.00 0.00 O ATOM 394 CB PHE A 776 5.708 -25.120 -6.241 1.00 0.00 C ATOM 395 CG PHE A 776 4.699 -24.788 -5.158 1.00 0.00 C ATOM 396 CD1 PHE A 776 3.967 -23.596 -5.250 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.469 -25.678 -4.092 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.000 -23.291 -4.279 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.507 -25.370 -3.113 1.00 0.00 C ATOM 400 CZ PHE A 776 2.770 -24.175 -3.210 1.00 0.00 C ATOM 0 H PHE A 776 3.265 -25.649 -6.606 1.00 0.00 H new ATOM 0 HA PHE A 776 5.468 -25.285 -8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.487 -25.743 -5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.184 -24.193 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 776 4.147 -22.913 -6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 776 5.031 -26.598 -4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 776 2.432 -22.376 -4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.335 -26.048 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.027 -23.937 -2.463 1.00 0.00 H new ATOM 410 N LYS A 777 5.051 -28.320 -7.358 1.00 0.00 N ATOM 411 CA LYS A 777 5.538 -29.714 -7.416 1.00 0.00 C ATOM 412 C LYS A 777 4.407 -30.747 -7.644 1.00 0.00 C ATOM 413 O LYS A 777 3.265 -30.474 -7.252 1.00 0.00 O ATOM 414 CB LYS A 777 6.343 -30.015 -6.143 1.00 0.00 C ATOM 415 CG LYS A 777 5.511 -29.967 -4.850 1.00 0.00 C ATOM 416 CD LYS A 777 6.423 -30.185 -3.640 1.00 0.00 C ATOM 417 CE LYS A 777 5.603 -30.173 -2.348 1.00 0.00 C ATOM 418 NZ LYS A 777 6.456 -30.412 -1.156 1.00 0.00 N ATOM 0 H LYS A 777 4.074 -28.252 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 777 6.186 -29.811 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 777 6.794 -31.003 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.160 -29.298 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.005 -29.005 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 777 4.736 -30.733 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 777 6.947 -31.136 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 777 7.183 -29.405 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 777 5.097 -29.213 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 777 4.828 -30.938 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 5.867 -30.397 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 6.920 -31.339 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 7.179 -29.668 -1.092 1.00 0.00 H new ATOM 432 N PRO A 778 4.692 -31.926 -8.241 1.00 0.00 N ATOM 433 CA PRO A 778 3.723 -33.001 -8.398 1.00 0.00 C ATOM 434 C PRO A 778 3.619 -33.788 -7.080 1.00 0.00 C ATOM 435 O PRO A 778 4.564 -33.840 -6.293 1.00 0.00 O ATOM 436 CB PRO A 778 4.253 -33.871 -9.544 1.00 0.00 C ATOM 437 CG PRO A 778 5.775 -33.728 -9.414 1.00 0.00 C ATOM 438 CD PRO A 778 5.968 -32.325 -8.828 1.00 0.00 C ATOM 0 HA PRO A 778 2.721 -32.639 -8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.935 -34.909 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.897 -33.522 -10.513 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.193 -34.494 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.269 -33.828 -10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.755 -32.327 -8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.272 -31.622 -9.604 1.00 0.00 H new ATOM 446 N LYS A 779 2.470 -34.424 -6.856 1.00 0.00 N ATOM 447 CA LYS A 779 2.247 -35.255 -5.664 1.00 0.00 C ATOM 448 C LYS A 779 2.950 -36.622 -5.771 1.00 0.00 C ATOM 449 O LYS A 779 3.198 -37.143 -6.864 1.00 0.00 O ATOM 450 CB LYS A 779 0.733 -35.452 -5.455 1.00 0.00 C ATOM 451 CG LYS A 779 0.017 -34.145 -5.068 1.00 0.00 C ATOM 452 CD LYS A 779 -1.488 -34.334 -4.851 1.00 0.00 C ATOM 453 CE LYS A 779 -2.197 -34.754 -6.151 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.667 -34.850 -5.964 1.00 0.00 N ATOM 0 H LYS A 779 1.670 -34.381 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 779 2.678 -34.737 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.291 -35.847 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.571 -36.196 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.464 -33.748 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.176 -33.403 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.654 -35.091 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.923 -33.405 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -1.976 -34.032 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -1.808 -35.716 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.113 -35.135 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -3.878 -35.557 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.041 -33.925 -5.670 1.00 0.00 H new ATOM 468 N GLU A 780 3.182 -37.260 -4.624 1.00 0.00 N ATOM 469 CA GLU A 780 3.730 -38.624 -4.570 1.00 0.00 C ATOM 470 C GLU A 780 2.807 -39.648 -5.253 1.00 0.00 C ATOM 471 O GLU A 780 3.299 -40.565 -5.911 1.00 0.00 O ATOM 472 CB GLU A 780 4.076 -39.019 -3.125 1.00 0.00 C ATOM 473 CG GLU A 780 2.870 -39.150 -2.181 1.00 0.00 C ATOM 474 CD GLU A 780 3.319 -39.469 -0.744 1.00 0.00 C ATOM 475 OE1 GLU A 780 3.575 -38.524 0.040 1.00 0.00 O ATOM 476 OE2 GLU A 780 3.434 -40.669 -0.391 1.00 0.00 O ATOM 0 H GLU A 780 2.998 -36.852 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 780 4.659 -38.630 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 780 4.610 -39.969 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 780 4.760 -38.276 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 780 2.297 -38.223 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 780 2.207 -39.937 -2.541 1.00 0.00 H new ATOM 483 N THR A 781 1.484 -39.435 -5.190 1.00 0.00 N ATOM 484 CA THR A 781 0.481 -40.215 -5.935 1.00 0.00 C ATOM 485 C THR A 781 0.604 -39.991 -7.436 1.00 0.00 C ATOM 486 O THR A 781 0.603 -40.969 -8.174 1.00 0.00 O ATOM 487 CB THR A 781 -0.935 -39.886 -5.452 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.092 -38.493 -5.316 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.214 -40.533 -4.088 1.00 0.00 C ATOM 0 H THR A 781 1.073 -38.703 -4.610 1.00 0.00 H new ATOM 0 HA THR A 781 0.673 -41.270 -5.740 1.00 0.00 H new ATOM 0 HB THR A 781 -1.633 -40.276 -6.193 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.001 -38.295 -5.009 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.226 -40.284 -3.767 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.116 -41.615 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 781 -0.499 -40.159 -3.355 1.00 0.00 H new ATOM 497 N CYS A 782 0.791 -38.748 -7.891 1.00 0.00 N ATOM 498 CA CYS A 782 0.980 -38.412 -9.303 1.00 0.00 C ATOM 499 C CYS A 782 2.271 -39.020 -9.874 1.00 0.00 C ATOM 500 O CYS A 782 2.266 -39.552 -10.984 1.00 0.00 O ATOM 501 CB CYS A 782 0.986 -36.884 -9.458 1.00 0.00 C ATOM 502 SG CYS A 782 -0.680 -36.217 -9.135 1.00 0.00 S ATOM 0 H CYS A 782 0.815 -37.934 -7.277 1.00 0.00 H new ATOM 0 HA CYS A 782 0.154 -38.839 -9.872 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.704 -36.443 -8.766 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.306 -36.614 -10.464 1.00 0.00 H new ATOM 507 N VAL A 783 3.368 -38.974 -9.114 1.00 0.00 N ATOM 508 CA VAL A 783 4.653 -39.595 -9.489 1.00 0.00 C ATOM 509 C VAL A 783 4.551 -41.132 -9.475 1.00 0.00 C ATOM 510 O VAL A 783 5.052 -41.776 -10.393 1.00 0.00 O ATOM 511 CB VAL A 783 5.811 -39.083 -8.599 1.00 0.00 C ATOM 512 CG1 VAL A 783 7.148 -39.772 -8.913 1.00 0.00 C ATOM 513 CG2 VAL A 783 6.015 -37.570 -8.781 1.00 0.00 C ATOM 0 H VAL A 783 3.395 -38.501 -8.211 1.00 0.00 H new ATOM 0 HA VAL A 783 4.883 -39.295 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 783 5.521 -39.317 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.924 -39.374 -8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 783 7.051 -40.845 -8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.418 -39.586 -9.952 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.834 -37.234 -8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.254 -37.358 -9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 783 5.102 -37.044 -8.504 1.00 0.00 H new ATOM 523 N SER A 784 3.872 -41.731 -8.491 1.00 0.00 N ATOM 524 CA SER A 784 3.692 -43.194 -8.403 1.00 0.00 C ATOM 525 C SER A 784 2.758 -43.760 -9.498 1.00 0.00 C ATOM 526 O SER A 784 3.086 -44.764 -10.142 1.00 0.00 O ATOM 527 CB SER A 784 3.162 -43.564 -7.009 1.00 0.00 C ATOM 528 OG SER A 784 3.174 -44.975 -6.809 1.00 0.00 O ATOM 0 H SER A 784 3.429 -41.218 -7.729 1.00 0.00 H new ATOM 0 HA SER A 784 4.669 -43.648 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.772 -43.081 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.146 -43.186 -6.892 1.00 0.00 H new ATOM 0 HG SER A 784 2.833 -45.181 -5.914 1.00 0.00 H new ATOM 534 N GLU A 785 1.630 -43.093 -9.776 1.00 0.00 N ATOM 535 CA GLU A 785 0.690 -43.451 -10.852 1.00 0.00 C ATOM 536 C GLU A 785 1.192 -43.037 -12.251 1.00 0.00 C ATOM 537 O GLU A 785 0.562 -43.377 -13.254 1.00 0.00 O ATOM 538 CB GLU A 785 -0.681 -42.803 -10.579 1.00 0.00 C ATOM 539 CG GLU A 785 -1.405 -43.340 -9.333 1.00 0.00 C ATOM 540 CD GLU A 785 -1.838 -44.804 -9.500 1.00 0.00 C ATOM 541 OE1 GLU A 785 -2.841 -45.067 -10.207 1.00 0.00 O ATOM 542 OE2 GLU A 785 -1.189 -45.706 -8.920 1.00 0.00 O ATOM 0 H GLU A 785 1.337 -42.271 -9.248 1.00 0.00 H new ATOM 0 HA GLU A 785 0.604 -44.538 -10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -0.544 -41.727 -10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.320 -42.956 -11.449 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -0.748 -43.254 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.281 -42.724 -9.131 1.00 0.00 H new ATOM 549 N ASN A 786 2.320 -42.319 -12.335 1.00 0.00 N ATOM 550 CA ASN A 786 2.951 -41.834 -13.570 1.00 0.00 C ATOM 551 C ASN A 786 1.991 -40.961 -14.412 1.00 0.00 C ATOM 552 O ASN A 786 1.792 -41.189 -15.612 1.00 0.00 O ATOM 553 CB ASN A 786 3.600 -42.998 -14.350 1.00 0.00 C ATOM 554 CG ASN A 786 4.872 -43.513 -13.687 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.977 -43.225 -14.133 1.00 0.00 O ATOM 556 ND2 ASN A 786 4.784 -44.277 -12.612 1.00 0.00 N ATOM 0 H ASN A 786 2.843 -42.047 -11.503 1.00 0.00 H new ATOM 0 HA ASN A 786 3.766 -41.162 -13.300 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.884 -43.815 -14.437 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.831 -42.667 -15.363 1.00 0.00 H new ATOM 0 HD21 ASN A 786 5.631 -44.622 -12.161 1.00 0.00 H new ATOM 0 HD22 ASN A 786 3.869 -44.522 -12.234 1.00 0.00 H new ATOM 563 N HIS A 787 1.390 -39.944 -13.769 1.00 0.00 N ATOM 564 CA HIS A 787 0.641 -38.874 -14.445 1.00 0.00 C ATOM 565 C HIS A 787 1.556 -38.101 -15.403 1.00 0.00 C ATOM 566 O HIS A 787 2.776 -38.046 -15.219 1.00 0.00 O ATOM 567 CB HIS A 787 -0.005 -37.934 -13.406 1.00 0.00 C ATOM 568 CG HIS A 787 -1.193 -38.504 -12.653 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.076 -37.793 -11.830 1.00 0.00 N ATOM 570 CD2 HIS A 787 -1.613 -39.809 -12.702 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.002 -38.686 -11.413 1.00 0.00 C ATOM 572 NE2 HIS A 787 -2.740 -39.903 -11.924 1.00 0.00 N ATOM 0 H HIS A 787 1.412 -39.842 -12.754 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.158 -39.322 -15.036 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.756 -37.645 -12.682 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.323 -37.024 -13.915 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.144 -40.613 -13.250 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -3.833 -38.455 -10.763 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.285 -40.750 -11.761 1.00 0.00 H new ATOM 580 N ASP A 788 0.966 -37.508 -16.438 1.00 0.00 N ATOM 581 CA ASP A 788 1.675 -36.658 -17.394 1.00 0.00 C ATOM 582 C ASP A 788 1.769 -35.224 -16.864 1.00 0.00 C ATOM 583 O ASP A 788 0.782 -34.701 -16.338 1.00 0.00 O ATOM 584 CB ASP A 788 0.944 -36.702 -18.744 1.00 0.00 C ATOM 585 CG ASP A 788 1.708 -35.967 -19.856 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.936 -36.187 -20.003 1.00 0.00 O ATOM 587 OD2 ASP A 788 1.063 -35.202 -20.612 1.00 0.00 O ATOM 0 H ASP A 788 -0.029 -37.605 -16.640 1.00 0.00 H new ATOM 0 HA ASP A 788 2.692 -37.027 -17.530 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.794 -37.741 -19.038 1.00 0.00 H new ATOM 0 HB3 ASP A 788 -0.044 -36.256 -18.632 1.00 0.00 H new ATOM 592 N PHE A 789 2.923 -34.571 -17.025 1.00 0.00 N ATOM 593 CA PHE A 789 3.124 -33.178 -16.613 1.00 0.00 C ATOM 594 C PHE A 789 4.112 -32.430 -17.513 1.00 0.00 C ATOM 595 O PHE A 789 5.036 -33.007 -18.092 1.00 0.00 O ATOM 596 CB PHE A 789 3.534 -33.039 -15.130 1.00 0.00 C ATOM 597 CG PHE A 789 3.949 -34.281 -14.364 1.00 0.00 C ATOM 598 CD1 PHE A 789 5.267 -34.765 -14.461 1.00 0.00 C ATOM 599 CD2 PHE A 789 3.039 -34.894 -13.485 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.672 -35.861 -13.680 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.448 -35.979 -12.697 1.00 0.00 C ATOM 602 CZ PHE A 789 4.764 -36.470 -12.793 1.00 0.00 C ATOM 0 H PHE A 789 3.749 -34.996 -17.447 1.00 0.00 H new ATOM 0 HA PHE A 789 2.147 -32.709 -16.728 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.361 -32.331 -15.082 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.697 -32.588 -14.598 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.967 -34.294 -15.135 1.00 0.00 H new ATOM 0 HD2 PHE A 789 2.025 -34.529 -13.417 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.681 -36.237 -13.760 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.751 -36.440 -12.013 1.00 0.00 H new ATOM 0 HZ PHE A 789 5.075 -37.310 -12.189 1.00 0.00 H new ATOM 612 N HIS A 790 3.938 -31.106 -17.583 1.00 0.00 N ATOM 613 CA HIS A 790 4.907 -30.160 -18.148 1.00 0.00 C ATOM 614 C HIS A 790 5.367 -29.172 -17.058 1.00 0.00 C ATOM 615 O HIS A 790 4.573 -28.781 -16.196 1.00 0.00 O ATOM 616 CB HIS A 790 4.286 -29.385 -19.324 1.00 0.00 C ATOM 617 CG HIS A 790 4.175 -30.172 -20.608 1.00 0.00 C ATOM 618 ND1 HIS A 790 4.695 -29.808 -21.833 1.00 0.00 N ATOM 619 CD2 HIS A 790 3.537 -31.375 -20.791 1.00 0.00 C ATOM 620 CE1 HIS A 790 4.377 -30.758 -22.726 1.00 0.00 C ATOM 621 NE2 HIS A 790 3.675 -31.745 -22.134 1.00 0.00 N ATOM 0 H HIS A 790 3.094 -30.649 -17.238 1.00 0.00 H new ATOM 0 HA HIS A 790 5.766 -30.721 -18.516 1.00 0.00 H new ATOM 0 HB2 HIS A 790 3.291 -29.046 -19.034 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.884 -28.493 -19.511 1.00 0.00 H new ATOM 0 HD2 HIS A 790 3.018 -31.938 -20.030 1.00 0.00 H new ATOM 0 HE1 HIS A 790 4.646 -30.735 -23.772 1.00 0.00 H new ATOM 0 HE2 HIS A 790 3.316 -32.591 -22.576 1.00 0.00 H new ATOM 629 N TRP A 791 6.639 -28.767 -17.100 1.00 0.00 N ATOM 630 CA TRP A 791 7.226 -27.785 -16.184 1.00 0.00 C ATOM 631 C TRP A 791 7.451 -26.419 -16.860 1.00 0.00 C ATOM 632 O TRP A 791 7.749 -26.328 -18.053 1.00 0.00 O ATOM 633 CB TRP A 791 8.535 -28.337 -15.592 1.00 0.00 C ATOM 634 CG TRP A 791 8.399 -29.461 -14.603 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.179 -30.764 -14.903 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.476 -29.405 -13.140 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.128 -31.513 -13.739 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.319 -30.728 -12.622 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.653 -28.370 -12.195 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.369 -31.011 -11.249 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.686 -28.636 -10.813 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.560 -29.957 -10.338 1.00 0.00 C ATOM 0 H TRP A 791 7.305 -29.121 -17.787 1.00 0.00 H new ATOM 0 HA TRP A 791 6.516 -27.616 -15.375 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.164 -28.679 -16.414 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.063 -27.516 -15.106 1.00 0.00 H new ATOM 0 HD1 TRP A 791 8.061 -31.160 -15.901 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.969 -32.520 -13.712 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.765 -27.353 -12.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.262 -32.026 -10.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.809 -27.823 -10.113 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.610 -30.159 -9.278 1.00 0.00 H new ATOM 653 N HIS A 792 7.312 -25.348 -16.074 1.00 0.00 N ATOM 654 CA HIS A 792 7.370 -23.935 -16.471 1.00 0.00 C ATOM 655 C HIS A 792 7.946 -23.086 -15.311 1.00 0.00 C ATOM 656 O HIS A 792 8.165 -23.615 -14.223 1.00 0.00 O ATOM 657 CB HIS A 792 5.942 -23.451 -16.813 1.00 0.00 C ATOM 658 CG HIS A 792 5.131 -24.359 -17.705 1.00 0.00 C ATOM 659 ND1 HIS A 792 5.144 -24.369 -19.084 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.269 -25.347 -17.298 1.00 0.00 C ATOM 661 CE1 HIS A 792 4.304 -25.336 -19.495 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.743 -25.964 -18.443 1.00 0.00 N ATOM 0 H HIS A 792 7.144 -25.451 -15.073 1.00 0.00 H new ATOM 0 HA HIS A 792 8.015 -23.825 -17.342 1.00 0.00 H new ATOM 0 HB2 HIS A 792 5.395 -23.308 -15.881 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.016 -22.475 -17.293 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.036 -25.604 -16.275 1.00 0.00 H new ATOM 0 HE1 HIS A 792 4.106 -25.577 -20.529 1.00 0.00 H new ATOM 0 HE2 HIS A 792 3.072 -26.732 -18.473 1.00 0.00 H new ATOM 670 N ASN A 793 8.137 -21.772 -15.475 1.00 0.00 N ATOM 671 CA ASN A 793 8.474 -20.865 -14.359 1.00 0.00 C ATOM 672 C ASN A 793 7.252 -20.075 -13.838 1.00 0.00 C ATOM 673 O ASN A 793 6.283 -19.841 -14.568 1.00 0.00 O ATOM 674 CB ASN A 793 9.609 -19.920 -14.784 1.00 0.00 C ATOM 675 CG ASN A 793 10.962 -20.623 -14.783 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.559 -20.890 -15.821 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.480 -20.947 -13.610 1.00 0.00 N ATOM 0 H ASN A 793 8.064 -21.304 -16.378 1.00 0.00 H new ATOM 0 HA ASN A 793 8.811 -21.480 -13.524 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.403 -19.530 -15.781 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.643 -19.066 -14.108 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.381 -21.422 -13.564 1.00 0.00 H new ATOM 0 HD22 ASN A 793 10.978 -20.722 -12.751 1.00 0.00 H new ATOM 684 N GLY A 794 7.314 -19.639 -12.574 1.00 0.00 N ATOM 685 CA GLY A 794 6.280 -18.852 -11.887 1.00 0.00 C ATOM 686 C GLY A 794 6.773 -18.218 -10.581 1.00 0.00 C ATOM 687 O GLY A 794 7.976 -18.020 -10.393 1.00 0.00 O ATOM 0 H GLY A 794 8.118 -19.832 -11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.927 -18.066 -12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.426 -19.495 -11.672 1.00 0.00 H new ATOM 691 N VAL A 795 5.850 -17.917 -9.667 1.00 0.00 N ATOM 692 CA VAL A 795 6.132 -17.397 -8.316 1.00 0.00 C ATOM 693 C VAL A 795 5.000 -17.765 -7.352 1.00 0.00 C ATOM 694 O VAL A 795 3.817 -17.654 -7.677 1.00 0.00 O ATOM 695 CB VAL A 795 6.437 -15.874 -8.293 1.00 0.00 C ATOM 696 CG1 VAL A 795 5.405 -15.030 -9.053 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.564 -15.323 -6.862 1.00 0.00 C ATOM 0 H VAL A 795 4.852 -18.030 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 795 7.048 -17.881 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 795 7.395 -15.786 -8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.682 -13.977 -8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.379 -15.341 -10.097 1.00 0.00 H new ATOM 0 HG13 VAL A 795 4.420 -15.171 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.777 -14.255 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 795 5.630 -15.487 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.375 -15.836 -6.345 1.00 0.00 H new ATOM 707 N LYS A 796 5.392 -18.220 -6.159 1.00 0.00 N ATOM 708 CA LYS A 796 4.506 -18.701 -5.092 1.00 0.00 C ATOM 709 C LYS A 796 4.259 -17.656 -3.989 1.00 0.00 C ATOM 710 O LYS A 796 5.100 -16.786 -3.721 1.00 0.00 O ATOM 711 CB LYS A 796 5.085 -20.031 -4.569 1.00 0.00 C ATOM 712 CG LYS A 796 6.393 -19.843 -3.778 1.00 0.00 C ATOM 713 CD LYS A 796 7.268 -21.099 -3.753 1.00 0.00 C ATOM 714 CE LYS A 796 6.600 -22.271 -3.018 1.00 0.00 C ATOM 715 NZ LYS A 796 7.475 -23.473 -3.011 1.00 0.00 N ATOM 0 H LYS A 796 6.377 -18.266 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 796 3.508 -18.877 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.347 -20.517 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.268 -20.698 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 796 6.960 -19.022 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.153 -19.555 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 796 7.495 -21.399 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.217 -20.866 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.373 -21.978 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 796 5.652 -22.512 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 6.997 -24.247 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 7.671 -23.765 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 8.370 -23.248 -2.531 1.00 0.00 H new ATOM 729 N ARG A 797 3.081 -17.734 -3.370 1.00 0.00 N ATOM 730 CA ARG A 797 2.492 -16.754 -2.443 1.00 0.00 C ATOM 731 C ARG A 797 2.240 -17.435 -1.091 1.00 0.00 C ATOM 732 O ARG A 797 1.770 -18.575 -1.058 1.00 0.00 O ATOM 733 CB ARG A 797 1.155 -16.236 -3.019 1.00 0.00 C ATOM 734 CG ARG A 797 1.120 -15.953 -4.528 1.00 0.00 C ATOM 735 CD ARG A 797 2.149 -14.935 -5.024 1.00 0.00 C ATOM 736 NE ARG A 797 2.089 -14.846 -6.492 1.00 0.00 N ATOM 737 CZ ARG A 797 2.119 -13.737 -7.223 1.00 0.00 C ATOM 738 NH1 ARG A 797 2.439 -12.572 -6.710 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.821 -13.792 -8.502 1.00 0.00 N ATOM 0 H ARG A 797 2.467 -18.537 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 797 3.174 -15.914 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.380 -16.968 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 797 0.891 -15.318 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.275 -16.891 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.124 -15.597 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.951 -13.958 -4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 797 3.149 -15.231 -4.708 1.00 0.00 H new ATOM 0 HE ARG A 797 2.017 -15.727 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.675 -12.498 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 797 2.452 -11.741 -7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 797 1.568 -14.683 -8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.843 -12.943 -9.068 1.00 0.00 H new ATOM 753 N PHE A 798 2.540 -16.750 0.015 1.00 0.00 N ATOM 754 CA PHE A 798 2.523 -17.315 1.371 1.00 0.00 C ATOM 755 C PHE A 798 1.351 -16.781 2.208 1.00 0.00 C ATOM 756 O PHE A 798 1.023 -15.594 2.135 1.00 0.00 O ATOM 757 CB PHE A 798 3.866 -17.004 2.056 1.00 0.00 C ATOM 758 CG PHE A 798 5.098 -17.253 1.199 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.417 -18.556 0.778 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.946 -16.186 0.850 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.562 -18.788 -0.007 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.097 -16.417 0.085 1.00 0.00 C ATOM 763 CZ PHE A 798 7.399 -17.716 -0.359 1.00 0.00 C ATOM 0 H PHE A 798 2.808 -15.766 -0.005 1.00 0.00 H new ATOM 0 HA PHE A 798 2.383 -18.393 1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.864 -15.960 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 798 3.943 -17.607 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 798 4.781 -19.382 1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.708 -15.183 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 798 6.797 -19.789 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.753 -15.596 -0.164 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.273 -17.890 -0.970 1.00 0.00 H new ATOM 773 N PHE A 799 0.747 -17.632 3.045 1.00 0.00 N ATOM 774 CA PHE A 799 -0.463 -17.312 3.816 1.00 0.00 C ATOM 775 C PHE A 799 -0.394 -17.809 5.262 1.00 0.00 C ATOM 776 O PHE A 799 0.308 -18.771 5.580 1.00 0.00 O ATOM 777 CB PHE A 799 -1.706 -17.879 3.119 1.00 0.00 C ATOM 778 CG PHE A 799 -1.853 -17.433 1.680 1.00 0.00 C ATOM 779 CD1 PHE A 799 -2.499 -16.219 1.390 1.00 0.00 C ATOM 780 CD2 PHE A 799 -1.271 -18.185 0.642 1.00 0.00 C ATOM 781 CE1 PHE A 799 -2.533 -15.736 0.073 1.00 0.00 C ATOM 782 CE2 PHE A 799 -1.323 -17.710 -0.680 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.941 -16.479 -0.964 1.00 0.00 C ATOM 0 H PHE A 799 1.090 -18.579 3.209 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.532 -16.225 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.664 -18.968 3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.593 -17.578 3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -2.970 -15.657 2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -0.786 -19.125 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -3.014 -14.794 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -0.888 -18.291 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.961 -16.105 -1.977 1.00 0.00 H new ATOM 793 N LYS A 800 -1.152 -17.146 6.135 1.00 0.00 N ATOM 794 CA LYS A 800 -1.275 -17.442 7.567 1.00 0.00 C ATOM 795 C LYS A 800 -2.742 -17.444 8.039 1.00 0.00 C ATOM 796 O LYS A 800 -3.565 -16.650 7.582 1.00 0.00 O ATOM 797 CB LYS A 800 -0.415 -16.420 8.336 1.00 0.00 C ATOM 798 CG LYS A 800 -0.367 -16.675 9.853 1.00 0.00 C ATOM 799 CD LYS A 800 0.585 -15.690 10.537 1.00 0.00 C ATOM 800 CE LYS A 800 0.609 -15.948 12.049 1.00 0.00 C ATOM 801 NZ LYS A 800 1.475 -14.977 12.765 1.00 0.00 N ATOM 0 H LYS A 800 -1.725 -16.351 5.853 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.913 -18.451 7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.600 -16.441 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.807 -15.419 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.367 -16.575 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.040 -17.697 10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.589 -15.796 10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.266 -14.667 10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.405 -15.888 12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.966 -16.960 12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.463 -15.187 13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.449 -15.051 12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.120 -14.012 12.606 1.00 0.00 H new ATOM 815 N CYS A 801 -3.067 -18.360 8.955 1.00 0.00 N ATOM 816 CA CYS A 801 -4.371 -18.532 9.608 1.00 0.00 C ATOM 817 C CYS A 801 -4.372 -17.910 11.032 1.00 0.00 C ATOM 818 O CYS A 801 -3.308 -17.903 11.664 1.00 0.00 O ATOM 819 CB CYS A 801 -4.604 -20.045 9.675 1.00 0.00 C ATOM 820 SG CYS A 801 -6.259 -20.443 10.318 1.00 0.00 S ATOM 0 H CYS A 801 -2.385 -19.045 9.282 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.162 -18.027 9.054 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.487 -20.476 8.681 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.847 -20.502 10.312 1.00 0.00 H new ATOM 825 N PRO A 802 -5.520 -17.433 11.569 1.00 0.00 N ATOM 826 CA PRO A 802 -5.642 -16.949 12.948 1.00 0.00 C ATOM 827 C PRO A 802 -5.028 -17.840 14.051 1.00 0.00 C ATOM 828 O PRO A 802 -4.520 -17.296 15.034 1.00 0.00 O ATOM 829 CB PRO A 802 -7.142 -16.782 13.179 1.00 0.00 C ATOM 830 CG PRO A 802 -7.688 -16.416 11.805 1.00 0.00 C ATOM 831 CD PRO A 802 -6.756 -17.146 10.839 1.00 0.00 C ATOM 0 HA PRO A 802 -5.063 -16.029 13.035 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.592 -17.700 13.556 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -7.349 -16.002 13.911 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.722 -16.740 11.686 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -7.671 -15.339 11.641 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.216 -18.068 10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.552 -16.532 9.962 1.00 0.00 H new ATOM 839 N CYS A 803 -5.036 -19.176 13.910 1.00 0.00 N ATOM 840 CA CYS A 803 -4.457 -20.114 14.884 1.00 0.00 C ATOM 841 C CYS A 803 -2.913 -20.227 14.825 1.00 0.00 C ATOM 842 O CYS A 803 -2.301 -20.825 15.721 1.00 0.00 O ATOM 843 CB CYS A 803 -5.136 -21.484 14.729 1.00 0.00 C ATOM 844 SG CYS A 803 -4.633 -22.322 13.176 1.00 0.00 S ATOM 0 H CYS A 803 -5.452 -19.641 13.103 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.657 -19.709 15.876 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -4.881 -22.114 15.581 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.218 -21.356 14.739 1.00 0.00 H new ATOM 849 N GLY A 804 -2.273 -19.650 13.797 1.00 0.00 N ATOM 850 CA GLY A 804 -0.830 -19.702 13.536 1.00 0.00 C ATOM 851 C GLY A 804 -0.413 -20.689 12.436 1.00 0.00 C ATOM 852 O GLY A 804 0.743 -20.654 12.012 1.00 0.00 O ATOM 0 H GLY A 804 -2.773 -19.109 13.092 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.488 -18.705 13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.317 -19.970 14.460 1.00 0.00 H new ATOM 856 N ASN A 805 -1.329 -21.535 11.944 1.00 0.00 N ATOM 857 CA ASN A 805 -1.075 -22.440 10.811 1.00 0.00 C ATOM 858 C ASN A 805 -0.756 -21.660 9.510 1.00 0.00 C ATOM 859 O ASN A 805 -1.152 -20.502 9.355 1.00 0.00 O ATOM 860 CB ASN A 805 -2.271 -23.396 10.639 1.00 0.00 C ATOM 861 CG ASN A 805 -2.028 -24.499 9.611 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.910 -24.955 9.397 1.00 0.00 O ATOM 863 ND2 ASN A 805 -3.062 -24.952 8.921 1.00 0.00 N ATOM 0 H ASN A 805 -2.273 -21.612 12.322 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.187 -23.034 11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.502 -23.852 11.602 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.147 -22.819 10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.927 -25.676 8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.995 -24.577 9.094 1.00 0.00 H new ATOM 870 N ARG A 806 -0.027 -22.291 8.585 1.00 0.00 N ATOM 871 CA ARG A 806 0.489 -21.703 7.345 1.00 0.00 C ATOM 872 C ARG A 806 0.066 -22.515 6.109 1.00 0.00 C ATOM 873 O ARG A 806 -0.173 -23.724 6.203 1.00 0.00 O ATOM 874 CB ARG A 806 2.028 -21.645 7.424 1.00 0.00 C ATOM 875 CG ARG A 806 2.584 -20.812 8.596 1.00 0.00 C ATOM 876 CD ARG A 806 2.201 -19.322 8.562 1.00 0.00 C ATOM 877 NE ARG A 806 2.661 -18.669 7.325 1.00 0.00 N ATOM 878 CZ ARG A 806 3.888 -18.243 7.059 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.860 -18.284 7.950 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.161 -17.770 5.868 1.00 0.00 N ATOM 0 H ARG A 806 0.232 -23.273 8.685 1.00 0.00 H new ATOM 0 HA ARG A 806 0.072 -20.701 7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.412 -22.662 7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.411 -21.233 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.229 -21.244 9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.671 -20.894 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.119 -19.223 8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.635 -18.815 9.424 1.00 0.00 H new ATOM 0 HE ARG A 806 1.962 -18.530 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.681 -18.654 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.791 -17.946 7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.432 -17.732 5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.102 -17.440 5.654 1.00 0.00 H new ATOM 894 N THR A 807 0.055 -21.863 4.938 1.00 0.00 N ATOM 895 CA THR A 807 -0.049 -22.513 3.616 1.00 0.00 C ATOM 896 C THR A 807 0.552 -21.642 2.518 1.00 0.00 C ATOM 897 O THR A 807 0.982 -20.512 2.754 1.00 0.00 O ATOM 898 CB THR A 807 -1.485 -22.985 3.320 1.00 0.00 C ATOM 899 OG1 THR A 807 -1.413 -23.990 2.330 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.421 -21.891 2.821 1.00 0.00 C ATOM 0 H THR A 807 0.119 -20.847 4.878 1.00 0.00 H new ATOM 0 HA THR A 807 0.554 -23.421 3.638 1.00 0.00 H new ATOM 0 HB THR A 807 -1.901 -23.338 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.638 -24.857 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 807 -3.409 -22.313 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.495 -21.105 3.572 1.00 0.00 H new ATOM 0 HG23 THR A 807 -2.029 -21.471 1.895 1.00 0.00 H new ATOM 908 N ILE A 808 0.619 -22.201 1.308 1.00 0.00 N ATOM 909 CA ILE A 808 1.250 -21.623 0.113 1.00 0.00 C ATOM 910 C ILE A 808 0.362 -21.924 -1.111 1.00 0.00 C ATOM 911 O ILE A 808 -0.271 -22.981 -1.189 1.00 0.00 O ATOM 912 CB ILE A 808 2.694 -22.183 -0.068 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.520 -22.163 1.245 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.445 -21.416 -1.175 1.00 0.00 C ATOM 915 CD1 ILE A 808 4.974 -22.631 1.119 1.00 0.00 C ATOM 0 H ILE A 808 0.214 -23.118 1.122 1.00 0.00 H new ATOM 0 HA ILE A 808 1.340 -20.542 0.223 1.00 0.00 H new ATOM 0 HB ILE A 808 2.582 -23.227 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.517 -21.147 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.017 -22.792 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.450 -21.824 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 808 2.908 -21.519 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.509 -20.361 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.459 -22.577 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 808 4.995 -23.660 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.503 -21.989 0.414 1.00 0.00 H new ATOM 927 N SER A 809 0.318 -21.019 -2.085 1.00 0.00 N ATOM 928 CA SER A 809 -0.378 -21.200 -3.373 1.00 0.00 C ATOM 929 C SER A 809 0.349 -20.446 -4.507 1.00 0.00 C ATOM 930 O SER A 809 1.236 -19.632 -4.243 1.00 0.00 O ATOM 931 CB SER A 809 -1.826 -20.698 -3.256 1.00 0.00 C ATOM 932 OG SER A 809 -2.594 -21.010 -4.409 1.00 0.00 O ATOM 0 H SER A 809 0.776 -20.111 -2.006 1.00 0.00 H new ATOM 0 HA SER A 809 -0.379 -22.263 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 809 -2.294 -21.143 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.824 -19.619 -3.103 1.00 0.00 H new ATOM 0 HG SER A 809 -3.508 -20.675 -4.294 1.00 0.00 H new ATOM 938 N LEU A 810 -0.009 -20.695 -5.773 1.00 0.00 N ATOM 939 CA LEU A 810 0.374 -19.828 -6.900 1.00 0.00 C ATOM 940 C LEU A 810 -0.628 -18.674 -7.116 1.00 0.00 C ATOM 941 O LEU A 810 -0.296 -17.683 -7.770 1.00 0.00 O ATOM 942 CB LEU A 810 0.528 -20.682 -8.175 1.00 0.00 C ATOM 943 CG LEU A 810 1.684 -21.711 -8.161 1.00 0.00 C ATOM 944 CD1 LEU A 810 1.734 -22.432 -9.510 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.051 -21.061 -7.903 1.00 0.00 C ATOM 0 H LEU A 810 -0.571 -21.501 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 810 1.330 -19.362 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 810 -0.407 -21.216 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 810 0.673 -20.012 -9.023 1.00 0.00 H new ATOM 0 HG LEU A 810 1.485 -22.407 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 810 2.547 -23.158 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 810 0.789 -22.947 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 810 1.902 -21.705 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 810 3.825 -21.829 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.261 -20.333 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.039 -20.559 -6.935 1.00 0.00 H new ATOM 957 N ASP A 811 -1.839 -18.774 -6.563 1.00 0.00 N ATOM 958 CA ASP A 811 -2.887 -17.749 -6.634 1.00 0.00 C ATOM 959 C ASP A 811 -2.769 -16.715 -5.499 1.00 0.00 C ATOM 960 O ASP A 811 -2.159 -16.974 -4.458 1.00 0.00 O ATOM 961 CB ASP A 811 -4.271 -18.422 -6.604 1.00 0.00 C ATOM 962 CG ASP A 811 -4.568 -19.198 -7.897 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.788 -18.540 -8.947 1.00 0.00 O ATOM 964 OD2 ASP A 811 -4.589 -20.452 -7.872 1.00 0.00 O ATOM 0 H ASP A 811 -2.128 -19.598 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.761 -17.208 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -4.324 -19.102 -5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -5.039 -17.663 -6.453 1.00 0.00 H new ATOM 969 N ARG A 812 -3.408 -15.546 -5.679 1.00 0.00 N ATOM 970 CA ARG A 812 -3.426 -14.437 -4.706 1.00 0.00 C ATOM 971 C ARG A 812 -4.120 -14.769 -3.369 1.00 0.00 C ATOM 972 O ARG A 812 -3.971 -14.020 -2.402 1.00 0.00 O ATOM 973 CB ARG A 812 -4.041 -13.180 -5.349 1.00 0.00 C ATOM 974 CG ARG A 812 -5.536 -13.310 -5.692 1.00 0.00 C ATOM 975 CD ARG A 812 -6.098 -11.983 -6.226 1.00 0.00 C ATOM 976 NE ARG A 812 -7.540 -12.077 -6.531 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.333 -11.079 -6.901 1.00 0.00 C ATOM 978 NH1 ARG A 812 -7.881 -9.850 -7.054 1.00 0.00 N ATOM 979 NH2 ARG A 812 -9.613 -11.305 -7.124 1.00 0.00 N ATOM 0 H ARG A 812 -3.939 -15.340 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.385 -14.250 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -3.908 -12.337 -4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.490 -12.946 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.675 -14.093 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.091 -13.613 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -5.934 -11.197 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -5.555 -11.695 -7.126 1.00 0.00 H new ATOM 0 HE ARG A 812 -7.968 -12.999 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -6.896 -9.644 -6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -8.516 -9.105 -7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -9.992 -12.245 -7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -10.224 -10.539 -7.408 1.00 0.00 H new ATOM 993 N LEU A 813 -4.859 -15.884 -3.304 1.00 0.00 N ATOM 994 CA LEU A 813 -5.484 -16.467 -2.110 1.00 0.00 C ATOM 995 C LEU A 813 -5.683 -17.982 -2.356 1.00 0.00 C ATOM 996 O LEU A 813 -6.102 -18.344 -3.464 1.00 0.00 O ATOM 997 CB LEU A 813 -6.829 -15.752 -1.833 1.00 0.00 C ATOM 998 CG LEU A 813 -7.408 -15.970 -0.417 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.607 -15.207 0.652 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.867 -15.491 -0.369 1.00 0.00 C ATOM 0 H LEU A 813 -5.048 -16.439 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.851 -16.334 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.694 -14.682 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.561 -16.093 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.347 -17.037 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.046 -15.387 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.573 -15.553 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.633 -14.140 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.269 -15.648 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.910 -14.430 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.459 -16.055 -1.090 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.416 -18.866 -1.371 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.688 -20.298 -1.481 1.00 0.00 C ATOM 1014 C PRO A 814 -7.203 -20.568 -1.437 1.00 0.00 C ATOM 1015 O PRO A 814 -7.988 -19.704 -1.050 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.957 -20.947 -0.303 1.00 0.00 C ATOM 1017 CG PRO A 814 -5.012 -19.858 0.759 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.857 -18.581 -0.059 1.00 0.00 C ATOM 0 HA PRO A 814 -5.340 -20.710 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -5.451 -21.861 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.931 -21.213 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.954 -19.875 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -4.214 -19.968 1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.380 -17.750 0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.808 -18.294 -0.137 1.00 0.00 H new ATOM 1026 N LYS A 815 -7.613 -21.785 -1.810 1.00 0.00 N ATOM 1027 CA LYS A 815 -9.020 -22.239 -1.797 1.00 0.00 C ATOM 1028 C LYS A 815 -9.297 -23.371 -0.791 1.00 0.00 C ATOM 1029 O LYS A 815 -10.450 -23.733 -0.551 1.00 0.00 O ATOM 1030 CB LYS A 815 -9.466 -22.568 -3.241 1.00 0.00 C ATOM 1031 CG LYS A 815 -8.721 -23.700 -3.986 1.00 0.00 C ATOM 1032 CD LYS A 815 -9.023 -25.143 -3.541 1.00 0.00 C ATOM 1033 CE LYS A 815 -10.518 -25.514 -3.514 1.00 0.00 C ATOM 1034 NZ LYS A 815 -11.140 -25.478 -4.866 1.00 0.00 N ATOM 0 H LYS A 815 -6.966 -22.503 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.638 -21.420 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -10.525 -22.825 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -9.374 -21.659 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -8.952 -23.617 -5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -7.650 -23.529 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -8.505 -25.830 -4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -8.608 -25.295 -2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -10.634 -26.512 -3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -11.048 -24.826 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -12.145 -25.735 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -11.056 -24.520 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -10.654 -26.154 -5.490 1.00 0.00 H new ATOM 1048 N LYS A 816 -8.243 -23.922 -0.186 1.00 0.00 N ATOM 1049 CA LYS A 816 -8.299 -24.956 0.857 1.00 0.00 C ATOM 1050 C LYS A 816 -8.710 -24.386 2.235 1.00 0.00 C ATOM 1051 O LYS A 816 -8.399 -23.237 2.560 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.940 -25.682 0.922 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.746 -24.746 1.209 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.490 -25.509 1.664 1.00 0.00 C ATOM 1055 CE LYS A 816 -3.621 -26.013 0.501 1.00 0.00 C ATOM 1056 NZ LYS A 816 -2.822 -24.917 -0.117 1.00 0.00 N ATOM 0 H LYS A 816 -7.287 -23.651 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 816 -9.077 -25.672 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.984 -26.447 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.768 -26.196 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.513 -24.174 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -6.029 -24.028 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.890 -24.858 2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -4.793 -26.359 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -2.949 -26.792 0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -4.259 -26.468 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -2.201 -25.312 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.463 -24.219 -0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -2.244 -24.454 0.613 1.00 0.00 H new ATOM 1070 N HIS A 817 -9.364 -25.190 3.067 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.562 -24.865 4.482 1.00 0.00 C ATOM 1072 C HIS A 817 -8.288 -25.174 5.308 1.00 0.00 C ATOM 1073 O HIS A 817 -7.391 -25.889 4.844 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.765 -25.658 5.025 1.00 0.00 C ATOM 1075 CG HIS A 817 -12.087 -25.426 4.325 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -13.173 -26.272 4.366 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.455 -24.355 3.552 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -14.161 -25.726 3.634 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.771 -24.551 3.116 1.00 0.00 N ATOM 0 H HIS A 817 -9.771 -26.082 2.785 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.763 -23.798 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.529 -26.721 4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.888 -25.414 6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -11.834 -23.503 3.319 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -15.133 -26.172 3.484 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.321 -23.928 2.525 1.00 0.00 H new ATOM 1087 N CYS A 818 -8.217 -24.663 6.542 1.00 0.00 N ATOM 1088 CA CYS A 818 -7.123 -24.921 7.472 1.00 0.00 C ATOM 1089 C CYS A 818 -6.994 -26.413 7.844 1.00 0.00 C ATOM 1090 O CYS A 818 -7.975 -27.078 8.184 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.339 -24.029 8.694 1.00 0.00 C ATOM 1092 SG CYS A 818 -6.022 -24.283 9.927 1.00 0.00 S ATOM 0 H CYS A 818 -8.934 -24.047 6.925 1.00 0.00 H new ATOM 0 HA CYS A 818 -6.172 -24.678 6.997 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.358 -22.983 8.387 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.309 -24.247 9.142 1.00 0.00 H new ATOM 1097 N SER A 819 -5.769 -26.930 7.824 1.00 0.00 N ATOM 1098 CA SER A 819 -5.442 -28.298 8.245 1.00 0.00 C ATOM 1099 C SER A 819 -5.470 -28.502 9.778 1.00 0.00 C ATOM 1100 O SER A 819 -5.491 -29.651 10.241 1.00 0.00 O ATOM 1101 CB SER A 819 -4.041 -28.677 7.729 1.00 0.00 C ATOM 1102 OG SER A 819 -3.907 -28.467 6.328 1.00 0.00 O ATOM 0 H SER A 819 -4.955 -26.402 7.509 1.00 0.00 H new ATOM 0 HA SER A 819 -6.214 -28.938 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.290 -28.088 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.843 -29.724 7.958 1.00 0.00 H new ATOM 0 HG SER A 819 -3.003 -28.719 6.044 1.00 0.00 H new ATOM 1108 N THR A 820 -5.458 -27.409 10.563 1.00 0.00 N ATOM 1109 CA THR A 820 -5.294 -27.416 12.029 1.00 0.00 C ATOM 1110 C THR A 820 -6.598 -27.118 12.772 1.00 0.00 C ATOM 1111 O THR A 820 -6.840 -27.750 13.801 1.00 0.00 O ATOM 1112 CB THR A 820 -4.178 -26.436 12.426 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.984 -26.831 11.777 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.884 -26.394 13.927 1.00 0.00 C ATOM 0 H THR A 820 -5.565 -26.468 10.184 1.00 0.00 H new ATOM 0 HA THR A 820 -5.008 -28.424 12.330 1.00 0.00 H new ATOM 0 HB THR A 820 -4.523 -25.445 12.132 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.261 -26.215 12.018 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.085 -25.679 14.121 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.782 -26.090 14.465 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.575 -27.383 14.265 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.451 -26.208 12.268 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.721 -25.825 12.908 1.00 0.00 C ATOM 1124 C CYS A 821 -9.976 -25.831 11.997 1.00 0.00 C ATOM 1125 O CYS A 821 -11.106 -25.832 12.506 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.542 -24.486 13.646 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.405 -23.048 12.532 1.00 0.00 S ATOM 0 H CYS A 821 -7.275 -25.712 11.394 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.943 -26.620 13.620 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.387 -24.335 14.317 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.648 -24.540 14.267 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.805 -25.893 10.671 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.864 -26.228 9.698 1.00 0.00 C ATOM 1134 C GLY A 822 -11.647 -25.054 9.103 1.00 0.00 C ATOM 1135 O GLY A 822 -12.489 -25.289 8.233 1.00 0.00 O ATOM 0 H GLY A 822 -8.905 -25.708 10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.409 -26.784 8.878 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.573 -26.899 10.184 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.396 -23.812 9.535 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.043 -22.611 8.973 1.00 0.00 C ATOM 1141 C LEU A 823 -11.345 -22.079 7.701 1.00 0.00 C ATOM 1142 O LEU A 823 -10.370 -22.660 7.213 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.263 -21.549 10.078 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.045 -21.006 10.862 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -9.948 -20.398 9.981 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -11.521 -19.940 11.860 1.00 0.00 C ATOM 0 H LEU A 823 -10.737 -23.607 10.286 1.00 0.00 H new ATOM 0 HA LEU A 823 -13.032 -22.897 8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.762 -20.696 9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -12.958 -21.971 10.804 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.601 -21.866 11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.132 -20.042 10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.572 -21.155 9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.359 -19.564 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -10.666 -19.554 12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.001 -19.124 11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.234 -20.384 12.554 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.848 -20.958 7.174 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.274 -20.218 6.049 1.00 0.00 C ATOM 1160 C PHE A 824 -11.152 -18.725 6.407 1.00 0.00 C ATOM 1161 O PHE A 824 -12.115 -17.961 6.309 1.00 0.00 O ATOM 1162 CB PHE A 824 -12.144 -20.456 4.808 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.541 -19.911 3.532 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.609 -20.687 2.821 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.888 -18.631 3.059 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -10.023 -20.187 1.648 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -11.298 -18.130 1.889 1.00 0.00 C ATOM 1168 CZ PHE A 824 -10.360 -18.904 1.180 1.00 0.00 C ATOM 0 H PHE A 824 -12.699 -20.526 7.534 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.267 -20.571 5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.312 -21.527 4.692 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -13.119 -19.995 4.965 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.343 -21.671 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.609 -18.034 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.311 -20.789 1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.564 -17.147 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.902 -18.515 0.282 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.958 -18.311 6.839 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.617 -16.935 7.265 1.00 0.00 C ATOM 1180 C LYS A 825 -8.170 -16.545 6.861 1.00 0.00 C ATOM 1181 O LYS A 825 -7.516 -15.742 7.535 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.846 -16.792 8.790 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.301 -16.884 9.293 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.178 -15.710 8.838 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.590 -15.863 9.425 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.489 -14.754 9.002 1.00 0.00 N ATOM 0 H LYS A 825 -9.163 -18.946 6.907 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.276 -16.239 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.264 -17.564 9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.439 -15.831 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.742 -17.816 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.299 -16.926 10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.738 -14.767 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.227 -15.680 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.014 -16.816 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.530 -15.887 10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.432 -14.893 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -14.098 -13.847 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.566 -14.746 7.965 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.641 -17.149 5.787 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.268 -16.937 5.313 1.00 0.00 C ATOM 1202 C TRP A 826 -5.944 -15.453 5.055 1.00 0.00 C ATOM 1203 O TRP A 826 -6.698 -14.751 4.379 1.00 0.00 O ATOM 1204 CB TRP A 826 -6.019 -17.768 4.048 1.00 0.00 C ATOM 1205 CG TRP A 826 -6.076 -19.255 4.223 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -7.013 -20.066 3.686 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -5.154 -20.136 4.947 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.734 -21.376 4.014 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.602 -21.484 4.795 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.979 -19.932 5.701 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.921 -22.569 5.364 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.294 -21.012 6.290 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.760 -22.325 6.122 1.00 0.00 C ATOM 0 H TRP A 826 -8.166 -17.810 5.214 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.599 -17.266 6.108 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.755 -17.481 3.297 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -5.039 -17.505 3.651 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.853 -19.739 3.091 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -7.298 -22.171 3.714 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.598 -18.929 5.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -5.282 -23.577 5.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.405 -20.829 6.875 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -3.228 -23.149 6.574 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.789 -15.012 5.545 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.210 -13.687 5.318 1.00 0.00 C ATOM 1226 C GLU A 827 -2.919 -13.827 4.508 1.00 0.00 C ATOM 1227 O GLU A 827 -2.062 -14.642 4.852 1.00 0.00 O ATOM 1228 CB GLU A 827 -3.948 -13.033 6.683 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.330 -11.633 6.566 1.00 0.00 C ATOM 1230 CD GLU A 827 -3.339 -10.912 7.925 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -2.446 -11.180 8.764 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -4.231 -10.064 8.165 1.00 0.00 O ATOM 0 H GLU A 827 -4.201 -15.596 6.140 1.00 0.00 H new ATOM 0 HA GLU A 827 -4.893 -13.056 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -4.886 -12.966 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.282 -13.671 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.307 -11.713 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -3.886 -11.046 5.835 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.763 -13.016 3.455 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.516 -12.962 2.674 1.00 0.00 C ATOM 1241 C ARG A 828 -0.380 -12.406 3.540 1.00 0.00 C ATOM 1242 O ARG A 828 -0.503 -11.326 4.118 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.729 -12.129 1.389 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.463 -11.956 0.524 1.00 0.00 C ATOM 1245 CD ARG A 828 0.054 -13.264 -0.101 1.00 0.00 C ATOM 1246 NE ARG A 828 1.518 -13.227 -0.273 1.00 0.00 N ATOM 1247 CZ ARG A 828 2.196 -12.871 -1.358 1.00 0.00 C ATOM 1248 NH1 ARG A 828 1.625 -12.445 -2.458 1.00 0.00 N ATOM 1249 NH2 ARG A 828 3.508 -12.928 -1.381 1.00 0.00 N ATOM 0 H ARG A 828 -3.489 -12.383 3.120 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.232 -13.969 2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.503 -12.604 0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.102 -11.143 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.675 -11.244 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.327 -11.522 1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -0.220 -14.107 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.425 -13.423 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 828 2.074 -13.507 0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 828 0.609 -12.374 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 828 2.197 -12.185 -3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 828 4.019 -13.249 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.016 -12.651 -2.221 1.00 0.00 H new ATOM 1263 N VAL A 829 0.730 -13.138 3.596 1.00 0.00 N ATOM 1264 CA VAL A 829 1.971 -12.771 4.308 1.00 0.00 C ATOM 1265 C VAL A 829 3.194 -12.966 3.398 1.00 0.00 C ATOM 1266 O VAL A 829 3.076 -13.421 2.259 1.00 0.00 O ATOM 1267 CB VAL A 829 2.121 -13.538 5.647 1.00 0.00 C ATOM 1268 CG1 VAL A 829 1.001 -13.198 6.640 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.189 -15.060 5.462 1.00 0.00 C ATOM 0 H VAL A 829 0.802 -14.042 3.130 1.00 0.00 H new ATOM 0 HA VAL A 829 1.907 -11.713 4.564 1.00 0.00 H new ATOM 0 HB VAL A 829 3.073 -13.203 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.150 -13.760 7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 829 1.020 -12.130 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 829 0.037 -13.462 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.294 -15.540 6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.275 -15.409 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.046 -15.313 4.838 1.00 0.00 H new ATOM 1279 N GLY A 830 4.375 -12.583 3.895 1.00 0.00 N ATOM 1280 CA GLY A 830 5.641 -12.656 3.172 1.00 0.00 C ATOM 1281 C GLY A 830 6.580 -13.761 3.649 1.00 0.00 C ATOM 1282 O GLY A 830 6.476 -14.235 4.782 1.00 0.00 O ATOM 0 H GLY A 830 4.475 -12.204 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.432 -12.807 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 830 6.152 -11.698 3.263 1.00 0.00 H new ATOM 1286 N MET A 831 7.537 -14.110 2.785 1.00 0.00 N ATOM 1287 CA MET A 831 8.680 -14.972 3.101 1.00 0.00 C ATOM 1288 C MET A 831 9.822 -14.792 2.093 1.00 0.00 C ATOM 1289 O MET A 831 9.597 -14.359 0.970 1.00 0.00 O ATOM 1290 CB MET A 831 8.256 -16.451 3.233 1.00 0.00 C ATOM 1291 CG MET A 831 9.189 -17.285 4.102 1.00 0.00 C ATOM 1292 SD MET A 831 8.758 -19.045 4.152 1.00 0.00 S ATOM 1293 CE MET A 831 10.399 -19.700 4.543 1.00 0.00 C ATOM 0 H MET A 831 7.538 -13.791 1.816 1.00 0.00 H new ATOM 0 HA MET A 831 9.062 -14.660 4.073 1.00 0.00 H new ATOM 0 HB2 MET A 831 7.250 -16.495 3.651 1.00 0.00 H new ATOM 0 HB3 MET A 831 8.208 -16.895 2.239 1.00 0.00 H new ATOM 0 HG2 MET A 831 10.208 -17.180 3.730 1.00 0.00 H new ATOM 0 HG3 MET A 831 9.177 -16.888 5.117 1.00 0.00 H new ATOM 0 HE1 MET A 831 10.349 -20.786 4.618 1.00 0.00 H new ATOM 0 HE2 MET A 831 11.099 -19.423 3.754 1.00 0.00 H new ATOM 0 HE3 MET A 831 10.739 -19.286 5.492 1.00 0.00 H new ATOM 1303 N LEU A 832 11.039 -15.155 2.501 1.00 0.00 N ATOM 1304 CA LEU A 832 12.248 -15.279 1.674 1.00 0.00 C ATOM 1305 C LEU A 832 13.302 -16.122 2.429 1.00 0.00 C ATOM 1306 O LEU A 832 13.050 -16.605 3.536 1.00 0.00 O ATOM 1307 CB LEU A 832 12.748 -13.871 1.241 1.00 0.00 C ATOM 1308 CG LEU A 832 12.994 -13.668 -0.273 1.00 0.00 C ATOM 1309 CD1 LEU A 832 14.005 -14.659 -0.871 1.00 0.00 C ATOM 1310 CD2 LEU A 832 11.693 -13.729 -1.086 1.00 0.00 C ATOM 0 H LEU A 832 11.222 -15.385 3.478 1.00 0.00 H new ATOM 0 HA LEU A 832 12.032 -15.812 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 832 12.018 -13.132 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 832 13.677 -13.660 1.770 1.00 0.00 H new ATOM 0 HG LEU A 832 13.421 -12.668 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 832 14.127 -14.457 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 832 14.965 -14.547 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 832 13.641 -15.677 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 832 11.917 -13.581 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 832 11.223 -14.703 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 832 11.014 -12.947 -0.746 1.00 0.00 H new ATOM 1322 N LYS A 833 14.482 -16.326 1.834 1.00 0.00 N ATOM 1323 CA LYS A 833 15.485 -17.309 2.287 1.00 0.00 C ATOM 1324 C LYS A 833 16.165 -17.013 3.641 1.00 0.00 C ATOM 1325 O LYS A 833 16.817 -17.883 4.227 1.00 0.00 O ATOM 1326 CB LYS A 833 16.508 -17.526 1.150 1.00 0.00 C ATOM 1327 CG LYS A 833 17.444 -16.323 0.930 1.00 0.00 C ATOM 1328 CD LYS A 833 18.278 -16.510 -0.350 1.00 0.00 C ATOM 1329 CE LYS A 833 19.209 -15.318 -0.628 1.00 0.00 C ATOM 1330 NZ LYS A 833 20.382 -15.276 0.286 1.00 0.00 N ATOM 0 H LYS A 833 14.777 -15.805 1.008 1.00 0.00 H new ATOM 0 HA LYS A 833 14.942 -18.230 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 833 17.108 -18.407 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 833 15.972 -17.734 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 833 16.857 -15.408 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 833 18.106 -16.209 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 833 18.874 -17.419 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 833 17.608 -16.649 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 833 19.559 -15.369 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 833 18.644 -14.391 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 21.089 -14.610 -0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 20.076 -14.964 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 20.803 -16.225 0.354 1.00 0.00 H new ATOM 1344 N GLU A 834 16.011 -15.790 4.132 1.00 0.00 N ATOM 1345 CA GLU A 834 16.591 -15.237 5.360 1.00 0.00 C ATOM 1346 C GLU A 834 15.622 -14.222 5.985 1.00 0.00 C ATOM 1347 O GLU A 834 15.023 -13.411 5.276 1.00 0.00 O ATOM 1348 CB GLU A 834 17.911 -14.512 5.046 1.00 0.00 C ATOM 1349 CG GLU A 834 19.086 -15.458 4.777 1.00 0.00 C ATOM 1350 CD GLU A 834 20.295 -14.682 4.247 1.00 0.00 C ATOM 1351 OE1 GLU A 834 21.122 -14.209 5.061 1.00 0.00 O ATOM 1352 OE2 GLU A 834 20.422 -14.551 3.006 1.00 0.00 O ATOM 0 H GLU A 834 15.434 -15.102 3.648 1.00 0.00 H new ATOM 0 HA GLU A 834 16.774 -16.059 6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 834 17.765 -13.872 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 834 18.165 -13.861 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 834 19.357 -15.980 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 834 18.790 -16.218 4.054 1.00 0.00 H new ATOM 1359 N LYS A 835 15.492 -14.236 7.319 1.00 0.00 N ATOM 1360 CA LYS A 835 14.737 -13.236 8.086 1.00 0.00 C ATOM 1361 C LYS A 835 15.536 -11.930 8.292 1.00 0.00 C ATOM 1362 O LYS A 835 16.748 -11.964 8.547 1.00 0.00 O ATOM 1363 CB LYS A 835 14.255 -13.870 9.402 1.00 0.00 C ATOM 1364 CG LYS A 835 15.379 -14.336 10.341 1.00 0.00 C ATOM 1365 CD LYS A 835 14.784 -15.100 11.530 1.00 0.00 C ATOM 1366 CE LYS A 835 15.832 -15.444 12.601 1.00 0.00 C ATOM 1367 NZ LYS A 835 16.805 -16.465 12.128 1.00 0.00 N ATOM 0 H LYS A 835 15.916 -14.955 7.905 1.00 0.00 H new ATOM 0 HA LYS A 835 13.859 -12.933 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 835 13.634 -13.147 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 835 13.620 -14.724 9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 835 16.076 -14.975 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 835 15.947 -13.476 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 835 13.993 -14.502 11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 835 14.323 -16.020 11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 835 16.368 -14.539 12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 835 15.328 -15.811 13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 17.492 -16.666 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 16.298 -17.339 11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 17.306 -16.106 11.290 1.00 0.00 H new ATOM 1381 N THR A 836 14.855 -10.783 8.185 1.00 0.00 N ATOM 1382 CA THR A 836 15.409 -9.412 8.252 1.00 0.00 C ATOM 1383 C THR A 836 14.368 -8.431 8.800 1.00 0.00 C ATOM 1384 O THR A 836 13.183 -8.755 8.907 1.00 0.00 O ATOM 1385 CB THR A 836 15.872 -8.925 6.867 1.00 0.00 C ATOM 1386 OG1 THR A 836 14.812 -9.052 5.944 1.00 0.00 O ATOM 1387 CG2 THR A 836 17.082 -9.683 6.315 1.00 0.00 C ATOM 0 H THR A 836 13.845 -10.779 8.041 1.00 0.00 H new ATOM 0 HA THR A 836 16.268 -9.447 8.922 1.00 0.00 H new ATOM 0 HB THR A 836 16.173 -7.886 6.999 1.00 0.00 H new ATOM 0 HG1 THR A 836 15.106 -8.740 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 836 17.347 -9.282 5.337 1.00 0.00 H new ATOM 0 HG22 THR A 836 17.925 -9.567 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 836 16.836 -10.741 6.219 1.00 0.00 H new ATOM 1395 N GLY A 837 14.801 -7.206 9.126 1.00 0.00 N ATOM 1396 CA GLY A 837 13.910 -6.086 9.455 1.00 0.00 C ATOM 1397 C GLY A 837 13.203 -5.565 8.186 1.00 0.00 C ATOM 1398 O GLY A 837 13.907 -5.317 7.196 1.00 0.00 O ATOM 0 H GLY A 837 15.791 -6.962 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 837 13.168 -6.407 10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 837 14.483 -5.281 9.915 1.00 0.00 H new ATOM 1402 N PRO A 838 11.865 -5.379 8.175 1.00 0.00 N ATOM 1403 CA PRO A 838 11.115 -4.888 7.016 1.00 0.00 C ATOM 1404 C PRO A 838 11.610 -3.538 6.485 1.00 0.00 C ATOM 1405 O PRO A 838 11.998 -2.655 7.252 1.00 0.00 O ATOM 1406 CB PRO A 838 9.653 -4.797 7.468 1.00 0.00 C ATOM 1407 CG PRO A 838 9.561 -5.853 8.566 1.00 0.00 C ATOM 1408 CD PRO A 838 10.935 -5.769 9.226 1.00 0.00 C ATOM 0 HA PRO A 838 11.250 -5.573 6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 838 9.409 -3.803 7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 838 8.965 -5.006 6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 838 8.759 -5.636 9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 838 9.367 -6.845 8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 838 10.934 -5.040 10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 838 11.218 -6.728 9.661 1.00 0.00 H new ATOM 1416 N LYS A 839 11.541 -3.361 5.162 1.00 0.00 N ATOM 1417 CA LYS A 839 11.868 -2.094 4.490 1.00 0.00 C ATOM 1418 C LYS A 839 10.785 -1.009 4.721 1.00 0.00 C ATOM 1419 O LYS A 839 11.067 0.186 4.616 1.00 0.00 O ATOM 1420 CB LYS A 839 12.111 -2.404 3.001 1.00 0.00 C ATOM 1421 CG LYS A 839 12.575 -1.221 2.130 1.00 0.00 C ATOM 1422 CD LYS A 839 13.911 -0.612 2.580 1.00 0.00 C ATOM 1423 CE LYS A 839 14.327 0.609 1.742 1.00 0.00 C ATOM 1424 NZ LYS A 839 14.700 0.250 0.350 1.00 0.00 N ATOM 0 H LYS A 839 11.254 -4.099 4.519 1.00 0.00 H new ATOM 0 HA LYS A 839 12.773 -1.664 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 839 12.858 -3.194 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 839 11.188 -2.800 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 839 12.668 -1.556 1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 839 11.808 -0.446 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 839 13.836 -0.319 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 839 14.690 -1.372 2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 839 13.506 1.326 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 839 15.170 1.104 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 15.146 1.068 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 15.369 -0.546 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 13.847 -0.024 -0.178 1.00 0.00 H new ATOM 1438 N LEU A 840 9.557 -1.424 5.069 1.00 0.00 N ATOM 1439 CA LEU A 840 8.439 -0.547 5.444 1.00 0.00 C ATOM 1440 C LEU A 840 8.731 0.157 6.780 1.00 0.00 C ATOM 1441 O LEU A 840 9.176 -0.478 7.742 1.00 0.00 O ATOM 1442 CB LEU A 840 7.150 -1.396 5.502 1.00 0.00 C ATOM 1443 CG LEU A 840 5.862 -0.618 5.820 1.00 0.00 C ATOM 1444 CD1 LEU A 840 5.530 0.437 4.751 1.00 0.00 C ATOM 1445 CD2 LEU A 840 4.696 -1.604 5.938 1.00 0.00 C ATOM 0 H LEU A 840 9.308 -2.413 5.098 1.00 0.00 H new ATOM 0 HA LEU A 840 8.306 0.239 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 840 7.023 -1.899 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 840 7.280 -2.173 6.255 1.00 0.00 H new ATOM 0 HG LEU A 840 6.021 -0.089 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 840 4.612 0.956 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 840 6.347 1.156 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 840 5.396 -0.052 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 840 3.780 -1.059 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 840 4.577 -2.141 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 840 4.901 -2.316 6.738 1.00 0.00 H new ATOM 1457 N GLY A 841 8.461 1.463 6.854 1.00 0.00 N ATOM 1458 CA GLY A 841 8.719 2.300 8.033 1.00 0.00 C ATOM 1459 C GLY A 841 10.186 2.735 8.158 1.00 0.00 C ATOM 1460 O GLY A 841 10.959 2.676 7.197 1.00 0.00 O ATOM 0 H GLY A 841 8.047 1.981 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 841 8.087 3.187 7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 841 8.432 1.751 8.930 1.00 0.00 H new ATOM 1464 N GLY A 842 10.567 3.199 9.353 1.00 0.00 N ATOM 1465 CA GLY A 842 11.929 3.648 9.698 1.00 0.00 C ATOM 1466 C GLY A 842 12.029 4.221 11.109 1.00 0.00 C ATOM 1467 O GLY A 842 11.898 3.437 12.079 1.00 0.00 O ATOM 1468 OXT GLY A 842 12.231 5.450 11.245 1.00 0.00 O ATOM 0 H GLY A 842 9.918 3.277 10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 842 12.617 2.808 9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 842 12.249 4.404 8.981 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.050 -35.675 -11.118 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.322 -22.483 11.479 1.00 0.00 ZN