USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 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= 1.33 K(o=1.3,f=-0.82) USER MOD Set 1.2: A 820 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 816 LYS NZ :NH3+ -174:sc= 1.3 (180deg=0.954) USER MOD Set 2.2: A 819 SER OG : rot 180:sc= 0.284 USER MOD Set 3.1: A 763 CYS SG : rot 22:sc= 0.184 USER MOD Set 3.2: A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 767 THR OG1 : rot 76:sc= 0.155 USER MOD Set 4.2: A 774 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 792 HIS : no HE2:sc= -0.0862 K(o=0.069,f=-0.55) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 GLY N :NH3+ -135:sc= 0.0654 (180deg=0) USER MOD Single : A 755 MET CE :methyl -176:sc= 0 (180deg=-0.013) USER MOD Single : A 756 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 757 SER OG : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ -162:sc= 0.738 (180deg=0.547) USER MOD Single : A 773 TYR OH : rot -166:sc= 1.05 USER MOD Single : A 775 HIS : no HE2:sc= 0.171 K(o=0.17,f=-0.68) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 LYS NZ :NH3+ 156:sc= 1.17 (180deg=0.797) USER MOD Single : A 781 THR OG1 : rot 170:sc= -0.243 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0.016 X(o=0.016,f=0) USER MOD Single : A 790 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 793 ASN : amide:sc= 0.186 X(o=0.19,f=0) USER MOD Single : A 800 LYS NZ :NH3+ -171:sc= 0.311 (180deg=0.193) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 809 SER OG : rot 180:sc= 0.046 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 HIS : no HE2:sc= 0.675 K(o=0.68,f=-2.1!) 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+ -174:sc= 0 (180deg=-0.0231) USER MOD Single : A 835 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00554) USER MOD Single : A 836 THR OG1 : rot 180:sc= 0 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 19.659 2.170 -6.024 1.00 0.00 N ATOM 2 CA GLY A -4 20.813 1.691 -6.820 1.00 0.00 C ATOM 3 C GLY A -4 20.433 0.546 -7.754 1.00 0.00 C ATOM 4 O GLY A -4 19.247 0.404 -8.085 1.00 0.00 O ATOM 0 H1 GLY A -4 19.641 3.210 -6.029 1.00 0.00 H new ATOM 0 H2 GLY A -4 18.777 1.807 -6.438 1.00 0.00 H new ATOM 0 H3 GLY A -4 19.747 1.830 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A -4 21.216 2.517 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A -4 21.605 1.361 -6.147 1.00 0.00 H new ATOM 10 N PRO A -3 21.412 -0.273 -8.200 1.00 0.00 N ATOM 11 CA PRO A -3 21.187 -1.430 -9.073 1.00 0.00 C ATOM 12 C PRO A -3 20.168 -2.425 -8.510 1.00 0.00 C ATOM 13 O PRO A -3 20.079 -2.613 -7.296 1.00 0.00 O ATOM 14 CB PRO A -3 22.560 -2.086 -9.260 1.00 0.00 C ATOM 15 CG PRO A -3 23.535 -0.926 -9.048 1.00 0.00 C ATOM 16 CD PRO A -3 22.839 -0.094 -7.968 1.00 0.00 C ATOM 0 HA PRO A -3 20.755 -1.105 -10.020 1.00 0.00 H new ATOM 0 HB2 PRO A -3 22.725 -2.887 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A -3 22.665 -2.524 -10.253 1.00 0.00 H new ATOM 0 HG2 PRO A -3 24.515 -1.275 -8.722 1.00 0.00 H new ATOM 0 HG3 PRO A -3 23.689 -0.354 -9.963 1.00 0.00 H new ATOM 0 HD2 PRO A -3 23.120 -0.431 -6.970 1.00 0.00 H new ATOM 0 HD3 PRO A -3 23.120 0.957 -8.040 1.00 0.00 H new ATOM 24 N MET A -2 19.401 -3.055 -9.411 1.00 0.00 N ATOM 25 CA MET A -2 18.369 -4.084 -9.128 1.00 0.00 C ATOM 26 C MET A -2 17.097 -3.531 -8.445 1.00 0.00 C ATOM 27 O MET A -2 16.198 -4.303 -8.103 1.00 0.00 O ATOM 28 CB MET A -2 18.952 -5.287 -8.356 1.00 0.00 C ATOM 29 CG MET A -2 20.184 -5.885 -9.059 1.00 0.00 C ATOM 30 SD MET A -2 20.848 -7.359 -8.236 1.00 0.00 S ATOM 31 CE MET A -2 22.183 -7.741 -9.392 1.00 0.00 C ATOM 0 H MET A -2 19.481 -2.857 -10.408 1.00 0.00 H new ATOM 0 HA MET A -2 18.043 -4.438 -10.106 1.00 0.00 H new ATOM 0 HB2 MET A -2 19.227 -4.972 -7.349 1.00 0.00 H new ATOM 0 HB3 MET A -2 18.186 -6.056 -8.252 1.00 0.00 H new ATOM 0 HG2 MET A -2 19.918 -6.141 -10.084 1.00 0.00 H new ATOM 0 HG3 MET A -2 20.965 -5.126 -9.112 1.00 0.00 H new ATOM 0 HE1 MET A -2 22.716 -8.629 -9.052 1.00 0.00 H new ATOM 0 HE2 MET A -2 21.766 -7.925 -10.382 1.00 0.00 H new ATOM 0 HE3 MET A -2 22.874 -6.900 -9.440 1.00 0.00 H new ATOM 41 N GLY A -1 17.008 -2.210 -8.247 1.00 0.00 N ATOM 42 CA GLY A -1 15.846 -1.536 -7.653 1.00 0.00 C ATOM 43 C GLY A -1 15.651 -1.929 -6.189 1.00 0.00 C ATOM 44 O GLY A -1 16.548 -1.720 -5.369 1.00 0.00 O ATOM 0 H GLY A -1 17.757 -1.566 -8.500 1.00 0.00 H new ATOM 0 HA2 GLY A -1 15.975 -0.456 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.950 -1.788 -8.220 1.00 0.00 H new ATOM 48 N MET A 755 14.497 -2.526 -5.872 1.00 0.00 N ATOM 49 CA MET A 755 14.203 -3.100 -4.547 1.00 0.00 C ATOM 50 C MET A 755 15.021 -4.371 -4.240 1.00 0.00 C ATOM 51 O MET A 755 15.160 -4.722 -3.068 1.00 0.00 O ATOM 52 CB MET A 755 12.695 -3.401 -4.445 1.00 0.00 C ATOM 53 CG MET A 755 11.818 -2.142 -4.554 1.00 0.00 C ATOM 54 SD MET A 755 12.152 -0.814 -3.358 1.00 0.00 S ATOM 55 CE MET A 755 11.678 -1.630 -1.815 1.00 0.00 C ATOM 0 H MET A 755 13.728 -2.627 -6.535 1.00 0.00 H new ATOM 0 HA MET A 755 14.495 -2.360 -3.802 1.00 0.00 H new ATOM 0 HB2 MET A 755 12.416 -4.100 -5.234 1.00 0.00 H new ATOM 0 HB3 MET A 755 12.493 -3.896 -3.495 1.00 0.00 H new ATOM 0 HG2 MET A 755 11.931 -1.733 -5.558 1.00 0.00 H new ATOM 0 HG3 MET A 755 10.776 -2.442 -4.448 1.00 0.00 H new ATOM 0 HE1 MET A 755 11.757 -0.922 -0.990 1.00 0.00 H new ATOM 0 HE2 MET A 755 10.650 -1.984 -1.892 1.00 0.00 H new ATOM 0 HE3 MET A 755 12.341 -2.476 -1.632 1.00 0.00 H new ATOM 65 N GLN A 756 15.537 -5.056 -5.270 1.00 0.00 N ATOM 66 CA GLN A 756 16.430 -6.224 -5.246 1.00 0.00 C ATOM 67 C GLN A 756 15.724 -7.527 -4.815 1.00 0.00 C ATOM 68 O GLN A 756 15.997 -8.585 -5.385 1.00 0.00 O ATOM 69 CB GLN A 756 17.689 -5.923 -4.406 1.00 0.00 C ATOM 70 CG GLN A 756 18.821 -6.933 -4.653 1.00 0.00 C ATOM 71 CD GLN A 756 20.086 -6.583 -3.864 1.00 0.00 C ATOM 72 OE1 GLN A 756 20.406 -7.197 -2.846 1.00 0.00 O ATOM 73 NE2 GLN A 756 20.848 -5.588 -4.284 1.00 0.00 N ATOM 0 H GLN A 756 15.320 -4.782 -6.228 1.00 0.00 H new ATOM 0 HA GLN A 756 16.746 -6.409 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 756 18.045 -4.920 -4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 756 17.426 -5.930 -3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 756 18.484 -7.931 -4.373 1.00 0.00 H new ATOM 0 HG3 GLN A 756 19.054 -6.963 -5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 756 20.594 -5.071 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 756 21.690 -5.337 -3.766 1.00 0.00 H new ATOM 82 N SER A 757 14.794 -7.474 -3.860 1.00 0.00 N ATOM 83 CA SER A 757 13.996 -8.621 -3.394 1.00 0.00 C ATOM 84 C SER A 757 12.613 -8.205 -2.854 1.00 0.00 C ATOM 85 O SER A 757 12.435 -7.109 -2.313 1.00 0.00 O ATOM 86 CB SER A 757 14.759 -9.442 -2.339 1.00 0.00 C ATOM 87 OG SER A 757 15.151 -8.667 -1.207 1.00 0.00 O ATOM 0 H SER A 757 14.565 -6.608 -3.372 1.00 0.00 H new ATOM 0 HA SER A 757 13.825 -9.248 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 757 14.132 -10.269 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 757 15.646 -9.879 -2.798 1.00 0.00 H new ATOM 0 HG SER A 757 15.629 -9.238 -0.570 1.00 0.00 H new ATOM 93 N ILE A 758 11.616 -9.082 -3.016 1.00 0.00 N ATOM 94 CA ILE A 758 10.187 -8.856 -2.706 1.00 0.00 C ATOM 95 C ILE A 758 9.693 -9.953 -1.735 1.00 0.00 C ATOM 96 O ILE A 758 10.346 -10.992 -1.585 1.00 0.00 O ATOM 97 CB ILE A 758 9.355 -8.845 -4.030 1.00 0.00 C ATOM 98 CG1 ILE A 758 10.001 -8.076 -5.212 1.00 0.00 C ATOM 99 CG2 ILE A 758 7.921 -8.306 -3.833 1.00 0.00 C ATOM 100 CD1 ILE A 758 10.195 -6.569 -4.998 1.00 0.00 C ATOM 0 H ILE A 758 11.785 -10.018 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 758 10.058 -7.888 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 758 9.330 -9.901 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 758 10.973 -8.522 -5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 758 9.383 -8.222 -6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 758 7.392 -8.322 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 758 7.393 -8.932 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 758 7.965 -7.283 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 758 10.653 -6.132 -5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 758 9.228 -6.099 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 758 10.842 -6.404 -4.136 1.00 0.00 H new ATOM 112 N ARG A 759 8.515 -9.780 -1.119 1.00 0.00 N ATOM 113 CA ARG A 759 7.817 -10.802 -0.302 1.00 0.00 C ATOM 114 C ARG A 759 7.198 -11.966 -1.111 1.00 0.00 C ATOM 115 O ARG A 759 6.089 -12.429 -0.837 1.00 0.00 O ATOM 116 CB ARG A 759 6.835 -10.116 0.662 1.00 0.00 C ATOM 117 CG ARG A 759 5.613 -9.481 -0.031 1.00 0.00 C ATOM 118 CD ARG A 759 5.088 -8.245 0.705 1.00 0.00 C ATOM 119 NE ARG A 759 4.492 -8.572 2.019 1.00 0.00 N ATOM 120 CZ ARG A 759 3.211 -8.814 2.278 1.00 0.00 C ATOM 121 NH1 ARG A 759 2.307 -8.894 1.325 1.00 0.00 N ATOM 122 NH2 ARG A 759 2.810 -8.967 3.521 1.00 0.00 N ATOM 0 H ARG A 759 8.000 -8.901 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 759 8.574 -11.312 0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 759 6.486 -10.848 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 759 7.367 -9.343 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.883 -9.204 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 759 4.816 -10.221 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 759 5.905 -7.538 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 759 4.341 -7.749 0.086 1.00 0.00 H new ATOM 0 HE ARG A 759 5.133 -8.617 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 759 2.581 -8.769 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 759 1.332 -9.081 1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 759 3.482 -8.900 4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 759 1.827 -9.153 3.721 1.00 0.00 H new ATOM 136 N GLU A 760 7.912 -12.409 -2.138 1.00 0.00 N ATOM 137 CA GLU A 760 7.612 -13.449 -3.126 1.00 0.00 C ATOM 138 C GLU A 760 8.826 -13.658 -4.041 1.00 0.00 C ATOM 139 O GLU A 760 9.644 -12.747 -4.203 1.00 0.00 O ATOM 140 CB GLU A 760 6.347 -13.130 -3.936 1.00 0.00 C ATOM 141 CG GLU A 760 6.256 -11.710 -4.513 1.00 0.00 C ATOM 142 CD GLU A 760 5.011 -11.526 -5.393 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.890 -11.876 -4.949 1.00 0.00 O ATOM 144 OE2 GLU A 760 5.142 -11.006 -6.526 1.00 0.00 O ATOM 0 H GLU A 760 8.828 -12.000 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 760 7.408 -14.377 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.279 -13.840 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.479 -13.298 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.233 -10.988 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 760 7.150 -11.499 -5.100 1.00 0.00 H new ATOM 151 N GLN A 761 8.966 -14.845 -4.630 1.00 0.00 N ATOM 152 CA GLN A 761 10.181 -15.257 -5.338 1.00 0.00 C ATOM 153 C GLN A 761 9.886 -16.213 -6.506 1.00 0.00 C ATOM 154 O GLN A 761 9.042 -17.106 -6.405 1.00 0.00 O ATOM 155 CB GLN A 761 11.186 -15.874 -4.343 1.00 0.00 C ATOM 156 CG GLN A 761 10.674 -17.177 -3.701 1.00 0.00 C ATOM 157 CD GLN A 761 11.556 -17.638 -2.540 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.365 -18.554 -2.657 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.446 -17.022 -1.380 1.00 0.00 N ATOM 0 H GLN A 761 8.234 -15.555 -4.630 1.00 0.00 H new ATOM 0 HA GLN A 761 10.626 -14.366 -5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 761 12.124 -16.075 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.403 -15.150 -3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.655 -17.027 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.634 -17.961 -4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.778 -16.259 -1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 761 12.029 -17.308 -0.593 1.00 0.00 H new ATOM 168 N SER A 762 10.583 -16.021 -7.626 1.00 0.00 N ATOM 169 CA SER A 762 10.401 -16.815 -8.850 1.00 0.00 C ATOM 170 C SER A 762 10.966 -18.238 -8.714 1.00 0.00 C ATOM 171 O SER A 762 12.042 -18.449 -8.138 1.00 0.00 O ATOM 172 CB SER A 762 11.057 -16.117 -10.050 1.00 0.00 C ATOM 173 OG SER A 762 10.566 -14.789 -10.215 1.00 0.00 O ATOM 0 H SER A 762 11.300 -15.301 -7.714 1.00 0.00 H new ATOM 0 HA SER A 762 9.326 -16.896 -9.013 1.00 0.00 H new ATOM 0 HB2 SER A 762 12.138 -16.092 -9.911 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.865 -16.692 -10.956 1.00 0.00 H new ATOM 0 HG SER A 762 11.004 -14.372 -10.986 1.00 0.00 H new ATOM 179 N CYS A 763 10.256 -19.219 -9.284 1.00 0.00 N ATOM 180 CA CYS A 763 10.585 -20.649 -9.268 1.00 0.00 C ATOM 181 C CYS A 763 10.171 -21.332 -10.588 1.00 0.00 C ATOM 182 O CYS A 763 9.460 -20.749 -11.412 1.00 0.00 O ATOM 183 CB CYS A 763 9.861 -21.307 -8.068 1.00 0.00 C ATOM 184 SG CYS A 763 10.767 -20.985 -6.529 1.00 0.00 S ATOM 0 H CYS A 763 9.394 -19.027 -9.794 1.00 0.00 H new ATOM 0 HA CYS A 763 11.664 -20.769 -9.165 1.00 0.00 H new ATOM 0 HB2 CYS A 763 8.846 -20.917 -7.989 1.00 0.00 H new ATOM 0 HB3 CYS A 763 9.777 -22.382 -8.230 1.00 0.00 H new ATOM 0 HG CYS A 763 11.518 -19.935 -6.679 1.00 0.00 H new ATOM 190 N ARG A 764 10.593 -22.587 -10.770 1.00 0.00 N ATOM 191 CA ARG A 764 9.966 -23.515 -11.726 1.00 0.00 C ATOM 192 C ARG A 764 8.814 -24.260 -11.035 1.00 0.00 C ATOM 193 O ARG A 764 8.899 -24.570 -9.847 1.00 0.00 O ATOM 194 CB ARG A 764 11.029 -24.449 -12.331 1.00 0.00 C ATOM 195 CG ARG A 764 10.532 -25.079 -13.651 1.00 0.00 C ATOM 196 CD ARG A 764 11.568 -25.989 -14.309 1.00 0.00 C ATOM 197 NE ARG A 764 12.695 -25.226 -14.882 1.00 0.00 N ATOM 198 CZ ARG A 764 13.745 -25.733 -15.517 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.895 -27.033 -15.695 1.00 0.00 N ATOM 200 NH2 ARG A 764 14.674 -24.931 -15.987 1.00 0.00 N ATOM 0 H ARG A 764 11.379 -22.992 -10.260 1.00 0.00 H new ATOM 0 HA ARG A 764 9.532 -22.968 -12.563 1.00 0.00 H new ATOM 0 HB2 ARG A 764 11.946 -23.890 -12.515 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.273 -25.237 -11.618 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.626 -25.653 -13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.261 -24.284 -14.346 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.948 -26.697 -13.572 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.089 -26.573 -15.095 1.00 0.00 H new ATOM 0 HE ARG A 764 12.664 -24.212 -14.780 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.192 -27.681 -15.340 1.00 0.00 H new ATOM 0 HH12 ARG A 764 14.714 -27.389 -16.188 1.00 0.00 H new ATOM 0 HH21 ARG A 764 14.587 -23.922 -15.863 1.00 0.00 H new ATOM 0 HH22 ARG A 764 15.482 -25.317 -16.475 1.00 0.00 H new ATOM 214 N VAL A 765 7.735 -24.502 -11.771 1.00 0.00 N ATOM 215 CA VAL A 765 6.438 -25.012 -11.300 1.00 0.00 C ATOM 216 C VAL A 765 5.856 -26.034 -12.291 1.00 0.00 C ATOM 217 O VAL A 765 6.352 -26.180 -13.409 1.00 0.00 O ATOM 218 CB VAL A 765 5.435 -23.852 -11.063 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.896 -22.893 -9.948 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.184 -23.020 -12.329 1.00 0.00 C ATOM 0 H VAL A 765 7.736 -24.339 -12.778 1.00 0.00 H new ATOM 0 HA VAL A 765 6.606 -25.516 -10.348 1.00 0.00 H new ATOM 0 HB VAL A 765 4.510 -24.345 -10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.159 -22.100 -9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.999 -23.444 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.857 -22.456 -10.219 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.475 -22.223 -12.106 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.123 -22.585 -12.671 1.00 0.00 H new ATOM 0 HG23 VAL A 765 4.775 -23.661 -13.110 1.00 0.00 H new ATOM 230 N VAL A 766 4.822 -26.757 -11.870 1.00 0.00 N ATOM 231 CA VAL A 766 4.179 -27.829 -12.638 1.00 0.00 C ATOM 232 C VAL A 766 2.652 -27.744 -12.534 1.00 0.00 C ATOM 233 O VAL A 766 2.112 -27.451 -11.462 1.00 0.00 O ATOM 234 CB VAL A 766 4.691 -29.215 -12.172 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.382 -29.533 -10.700 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.165 -30.359 -13.043 1.00 0.00 C ATOM 0 H VAL A 766 4.392 -26.611 -10.957 1.00 0.00 H new ATOM 0 HA VAL A 766 4.446 -27.701 -13.687 1.00 0.00 H new ATOM 0 HB VAL A 766 5.773 -29.141 -12.281 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.772 -30.520 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.851 -28.785 -10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.303 -29.520 -10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.554 -31.307 -12.672 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.076 -30.374 -13.005 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.490 -30.211 -14.073 1.00 0.00 H new ATOM 246 N THR A 767 1.968 -28.033 -13.645 1.00 0.00 N ATOM 247 CA THR A 767 0.524 -28.274 -13.704 1.00 0.00 C ATOM 248 C THR A 767 0.293 -29.747 -14.013 1.00 0.00 C ATOM 249 O THR A 767 0.660 -30.200 -15.099 1.00 0.00 O ATOM 250 CB THR A 767 -0.134 -27.386 -14.773 1.00 0.00 C ATOM 251 OG1 THR A 767 0.114 -26.029 -14.470 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.652 -27.571 -14.795 1.00 0.00 C ATOM 0 H THR A 767 2.419 -28.108 -14.557 1.00 0.00 H new ATOM 0 HA THR A 767 0.070 -28.022 -12.745 1.00 0.00 H new ATOM 0 HB THR A 767 0.285 -27.669 -15.738 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.039 -25.805 -14.704 1.00 0.00 H new ATOM 0 HG21 THR A 767 -2.086 -26.929 -15.562 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.889 -28.612 -15.017 1.00 0.00 H new ATOM 0 HG23 THR A 767 -2.065 -27.304 -13.822 1.00 0.00 H new ATOM 260 N CYS A 768 -0.343 -30.481 -13.091 1.00 0.00 N ATOM 261 CA CYS A 768 -0.873 -31.820 -13.374 1.00 0.00 C ATOM 262 C CYS A 768 -2.105 -31.676 -14.281 1.00 0.00 C ATOM 263 O CYS A 768 -3.084 -31.012 -13.926 1.00 0.00 O ATOM 264 CB CYS A 768 -1.189 -32.562 -12.062 1.00 0.00 C ATOM 265 SG CYS A 768 -1.717 -34.281 -12.409 1.00 0.00 S ATOM 0 H CYS A 768 -0.504 -30.166 -12.134 1.00 0.00 H new ATOM 0 HA CYS A 768 -0.130 -32.423 -13.897 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.308 -32.568 -11.420 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.975 -32.036 -11.520 1.00 0.00 H new ATOM 270 N LYS A 769 -2.069 -32.282 -15.465 1.00 0.00 N ATOM 271 CA LYS A 769 -3.172 -32.258 -16.429 1.00 0.00 C ATOM 272 C LYS A 769 -4.281 -33.272 -16.083 1.00 0.00 C ATOM 273 O LYS A 769 -5.422 -33.102 -16.524 1.00 0.00 O ATOM 274 CB LYS A 769 -2.600 -32.496 -17.841 1.00 0.00 C ATOM 275 CG LYS A 769 -1.518 -31.488 -18.288 1.00 0.00 C ATOM 276 CD LYS A 769 -1.925 -30.008 -18.185 1.00 0.00 C ATOM 277 CE LYS A 769 -3.230 -29.640 -18.915 1.00 0.00 C ATOM 278 NZ LYS A 769 -3.141 -29.837 -20.387 1.00 0.00 N ATOM 0 H LYS A 769 -1.261 -32.813 -15.789 1.00 0.00 H new ATOM 0 HA LYS A 769 -3.650 -31.279 -16.390 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -2.178 -33.500 -17.881 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -3.420 -32.467 -18.558 1.00 0.00 H new ATOM 0 HG2 LYS A 769 -0.624 -31.646 -17.685 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -1.247 -31.704 -19.322 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -2.030 -29.748 -17.132 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -1.117 -29.396 -18.586 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -4.045 -30.246 -18.520 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -3.477 -28.599 -18.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -4.046 -29.574 -20.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -2.382 -29.239 -20.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -2.933 -30.835 -20.592 1.00 0.00 H new ATOM 292 N THR A 770 -3.966 -34.299 -15.277 1.00 0.00 N ATOM 293 CA THR A 770 -4.915 -35.329 -14.823 1.00 0.00 C ATOM 294 C THR A 770 -5.828 -34.791 -13.711 1.00 0.00 C ATOM 295 O THR A 770 -7.042 -34.998 -13.797 1.00 0.00 O ATOM 296 CB THR A 770 -4.151 -36.587 -14.383 1.00 0.00 C ATOM 297 OG1 THR A 770 -3.280 -36.991 -15.420 1.00 0.00 O ATOM 298 CG2 THR A 770 -5.081 -37.760 -14.071 1.00 0.00 C ATOM 0 H THR A 770 -3.023 -34.440 -14.915 1.00 0.00 H new ATOM 0 HA THR A 770 -5.564 -35.603 -15.655 1.00 0.00 H new ATOM 0 HB THR A 770 -3.607 -36.327 -13.475 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.790 -37.793 -15.142 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.489 -38.623 -13.765 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.760 -37.482 -13.265 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.658 -38.013 -14.960 1.00 0.00 H new ATOM 306 N CYS A 771 -5.282 -34.057 -12.731 1.00 0.00 N ATOM 307 CA CYS A 771 -6.023 -33.489 -11.591 1.00 0.00 C ATOM 308 C CYS A 771 -6.359 -31.982 -11.731 1.00 0.00 C ATOM 309 O CYS A 771 -7.219 -31.471 -11.011 1.00 0.00 O ATOM 310 CB CYS A 771 -5.188 -33.696 -10.319 1.00 0.00 C ATOM 311 SG CYS A 771 -4.782 -35.460 -10.004 1.00 0.00 S ATOM 0 H CYS A 771 -4.287 -33.835 -12.707 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.980 -34.010 -11.550 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.263 -33.125 -10.402 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.734 -33.296 -9.464 1.00 0.00 H new ATOM 316 N LYS A 772 -5.674 -31.269 -12.636 1.00 0.00 N ATOM 317 CA LYS A 772 -5.881 -29.858 -13.032 1.00 0.00 C ATOM 318 C LYS A 772 -5.382 -28.828 -11.982 1.00 0.00 C ATOM 319 O LYS A 772 -5.792 -27.663 -12.005 1.00 0.00 O ATOM 320 CB LYS A 772 -7.325 -29.592 -13.528 1.00 0.00 C ATOM 321 CG LYS A 772 -7.741 -30.368 -14.795 1.00 0.00 C ATOM 322 CD LYS A 772 -8.207 -31.810 -14.542 1.00 0.00 C ATOM 323 CE LYS A 772 -8.704 -32.474 -15.832 1.00 0.00 C ATOM 324 NZ LYS A 772 -9.123 -33.877 -15.581 1.00 0.00 N ATOM 0 H LYS A 772 -4.902 -31.690 -13.152 1.00 0.00 H new ATOM 0 HA LYS A 772 -5.232 -29.694 -13.892 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -8.019 -29.841 -12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.434 -28.525 -13.723 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -8.544 -29.823 -15.291 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.897 -30.389 -15.485 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.385 -32.392 -14.126 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -9.006 -31.811 -13.800 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -9.542 -31.907 -16.237 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -7.914 -32.455 -16.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -9.162 -34.394 -16.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -8.437 -34.336 -14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -10.063 -33.884 -15.137 1.00 0.00 H new ATOM 338 N TYR A 773 -4.504 -29.228 -11.052 1.00 0.00 N ATOM 339 CA TYR A 773 -3.874 -28.327 -10.062 1.00 0.00 C ATOM 340 C TYR A 773 -2.489 -27.816 -10.502 1.00 0.00 C ATOM 341 O TYR A 773 -1.802 -28.478 -11.288 1.00 0.00 O ATOM 342 CB TYR A 773 -3.793 -29.006 -8.678 1.00 0.00 C ATOM 343 CG TYR A 773 -2.715 -30.071 -8.497 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.371 -29.705 -8.253 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.068 -31.435 -8.492 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.379 -30.689 -8.071 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.086 -32.423 -8.272 1.00 0.00 C ATOM 348 CZ TYR A 773 -0.734 -32.055 -8.086 1.00 0.00 C ATOM 349 OH TYR A 773 0.225 -33.008 -7.935 1.00 0.00 O ATOM 0 H TYR A 773 -4.204 -30.198 -10.960 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.517 -27.450 -9.991 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.635 -28.231 -7.928 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -4.760 -29.462 -8.466 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.102 -28.660 -8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.095 -31.725 -8.657 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.650 -30.399 -7.920 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.368 -33.465 -8.246 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.141 -33.883 -8.182 1.00 0.00 H new ATOM 359 N THR A 774 -2.066 -26.681 -9.930 1.00 0.00 N ATOM 360 CA THR A 774 -0.739 -26.063 -10.117 1.00 0.00 C ATOM 361 C THR A 774 0.006 -26.021 -8.789 1.00 0.00 C ATOM 362 O THR A 774 -0.565 -25.620 -7.779 1.00 0.00 O ATOM 363 CB THR A 774 -0.875 -24.640 -10.678 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.746 -24.663 -11.791 1.00 0.00 O ATOM 365 CG2 THR A 774 0.474 -24.068 -11.129 1.00 0.00 C ATOM 0 H THR A 774 -2.660 -26.144 -9.298 1.00 0.00 H new ATOM 0 HA THR A 774 -0.177 -26.666 -10.830 1.00 0.00 H new ATOM 0 HB THR A 774 -1.267 -24.007 -9.882 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.838 -23.757 -12.153 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.330 -23.060 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.157 -24.035 -10.280 1.00 0.00 H new ATOM 0 HG23 THR A 774 0.895 -24.702 -11.909 1.00 0.00 H new ATOM 373 N HIS A 775 1.280 -26.401 -8.791 1.00 0.00 N ATOM 374 CA HIS A 775 2.190 -26.363 -7.631 1.00 0.00 C ATOM 375 C HIS A 775 3.670 -26.331 -8.073 1.00 0.00 C ATOM 376 O HIS A 775 3.973 -26.430 -9.263 1.00 0.00 O ATOM 377 CB HIS A 775 1.891 -27.538 -6.669 1.00 0.00 C ATOM 378 CG HIS A 775 1.186 -27.109 -5.403 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.748 -26.467 -4.316 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.145 -27.260 -5.125 1.00 0.00 C ATOM 381 CE1 HIS A 775 0.775 -26.241 -3.415 1.00 0.00 C ATOM 382 NE2 HIS A 775 -0.403 -26.711 -3.865 1.00 0.00 N ATOM 0 H HIS A 775 1.734 -26.760 -9.631 1.00 0.00 H new ATOM 0 HA HIS A 775 2.011 -25.437 -7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 775 1.277 -28.275 -7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.827 -28.031 -6.406 1.00 0.00 H new ATOM 0 HD1 HIS A 775 2.730 -26.209 -4.215 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -0.875 -27.726 -5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 775 0.919 -25.751 -2.463 1.00 0.00 H new ATOM 390 N PHE A 776 4.610 -26.197 -7.130 1.00 0.00 N ATOM 391 CA PHE A 776 6.054 -26.177 -7.415 1.00 0.00 C ATOM 392 C PHE A 776 6.581 -27.563 -7.825 1.00 0.00 C ATOM 393 O PHE A 776 7.425 -27.663 -8.715 1.00 0.00 O ATOM 394 CB PHE A 776 6.843 -25.640 -6.197 1.00 0.00 C ATOM 395 CG PHE A 776 6.007 -24.962 -5.125 1.00 0.00 C ATOM 396 CD1 PHE A 776 5.575 -23.635 -5.300 1.00 0.00 C ATOM 397 CD2 PHE A 776 5.589 -25.703 -4.003 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.705 -23.058 -4.357 1.00 0.00 C ATOM 399 CE2 PHE A 776 4.712 -25.127 -3.066 1.00 0.00 C ATOM 400 CZ PHE A 776 4.263 -23.813 -3.249 1.00 0.00 C ATOM 0 H PHE A 776 4.390 -26.098 -6.139 1.00 0.00 H new ATOM 0 HA PHE A 776 6.206 -25.506 -8.260 1.00 0.00 H new ATOM 0 HB2 PHE A 776 7.383 -26.470 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 776 7.590 -24.931 -6.554 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.909 -23.063 -6.153 1.00 0.00 H new ATOM 0 HD2 PHE A 776 5.942 -26.714 -3.862 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.375 -22.037 -4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 776 4.386 -25.696 -2.208 1.00 0.00 H new ATOM 0 HZ PHE A 776 3.576 -23.376 -2.540 1.00 0.00 H new ATOM 410 N LYS A 777 6.073 -28.617 -7.179 1.00 0.00 N ATOM 411 CA LYS A 777 6.428 -30.028 -7.399 1.00 0.00 C ATOM 412 C LYS A 777 5.164 -30.915 -7.552 1.00 0.00 C ATOM 413 O LYS A 777 4.126 -30.581 -6.957 1.00 0.00 O ATOM 414 CB LYS A 777 7.263 -30.536 -6.203 1.00 0.00 C ATOM 415 CG LYS A 777 8.588 -29.797 -5.932 1.00 0.00 C ATOM 416 CD LYS A 777 9.606 -29.914 -7.072 1.00 0.00 C ATOM 417 CE LYS A 777 10.925 -29.246 -6.667 1.00 0.00 C ATOM 418 NZ LYS A 777 11.947 -29.352 -7.739 1.00 0.00 N ATOM 0 H LYS A 777 5.367 -28.507 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 777 7.004 -30.093 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 777 6.647 -30.475 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.486 -31.590 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 777 8.375 -28.743 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 777 9.033 -30.191 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 777 9.778 -30.964 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 777 9.212 -29.443 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 777 10.745 -28.196 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 777 11.303 -29.710 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 12.825 -28.889 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 12.137 -30.355 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 11.596 -28.887 -8.600 1.00 0.00 H new ATOM 432 N PRO A 778 5.225 -32.037 -8.299 1.00 0.00 N ATOM 433 CA PRO A 778 4.119 -32.981 -8.411 1.00 0.00 C ATOM 434 C PRO A 778 4.049 -33.856 -7.149 1.00 0.00 C ATOM 435 O PRO A 778 5.066 -34.143 -6.521 1.00 0.00 O ATOM 436 CB PRO A 778 4.407 -33.798 -9.671 1.00 0.00 C ATOM 437 CG PRO A 778 5.936 -33.825 -9.733 1.00 0.00 C ATOM 438 CD PRO A 778 6.344 -32.484 -9.118 1.00 0.00 C ATOM 0 HA PRO A 778 3.149 -32.490 -8.490 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.990 -34.803 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.977 -33.334 -10.558 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.345 -34.665 -9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.294 -33.922 -10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 778 7.245 -32.594 -8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.569 -31.755 -9.896 1.00 0.00 H new ATOM 446 N LYS A 779 2.843 -34.294 -6.779 1.00 0.00 N ATOM 447 CA LYS A 779 2.625 -35.156 -5.611 1.00 0.00 C ATOM 448 C LYS A 779 3.214 -36.567 -5.777 1.00 0.00 C ATOM 449 O LYS A 779 3.394 -37.085 -6.887 1.00 0.00 O ATOM 450 CB LYS A 779 1.125 -35.213 -5.282 1.00 0.00 C ATOM 451 CG LYS A 779 0.663 -33.974 -4.500 1.00 0.00 C ATOM 452 CD LYS A 779 -0.828 -34.030 -4.130 1.00 0.00 C ATOM 453 CE LYS A 779 -1.270 -35.294 -3.362 1.00 0.00 C ATOM 454 NZ LYS A 779 -0.500 -35.519 -2.111 1.00 0.00 N ATOM 0 H LYS A 779 1.987 -34.061 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 779 3.164 -34.711 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.553 -35.293 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.915 -36.110 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 779 1.256 -33.881 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.852 -33.081 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.069 -33.155 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.416 -33.957 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.329 -35.212 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -1.159 -36.163 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -1.065 -36.095 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 0.386 -36.016 -2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -0.282 -34.604 -1.668 1.00 0.00 H new ATOM 468 N GLU A 780 3.437 -37.224 -4.642 1.00 0.00 N ATOM 469 CA GLU A 780 3.899 -38.606 -4.563 1.00 0.00 C ATOM 470 C GLU A 780 2.912 -39.580 -5.228 1.00 0.00 C ATOM 471 O GLU A 780 3.338 -40.497 -5.935 1.00 0.00 O ATOM 472 CB GLU A 780 4.218 -38.999 -3.102 1.00 0.00 C ATOM 473 CG GLU A 780 3.061 -38.973 -2.083 1.00 0.00 C ATOM 474 CD GLU A 780 2.721 -37.561 -1.579 1.00 0.00 C ATOM 475 OE1 GLU A 780 1.995 -36.828 -2.286 1.00 0.00 O ATOM 476 OE2 GLU A 780 3.173 -37.180 -0.476 1.00 0.00 O ATOM 0 H GLU A 780 3.297 -36.797 -3.726 1.00 0.00 H new ATOM 0 HA GLU A 780 4.828 -38.679 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 780 4.636 -40.006 -3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 780 5.000 -38.332 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 780 2.174 -39.410 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 780 3.323 -39.601 -1.232 1.00 0.00 H new ATOM 483 N THR A 781 1.601 -39.325 -5.106 1.00 0.00 N ATOM 484 CA THR A 781 0.535 -40.050 -5.806 1.00 0.00 C ATOM 485 C THR A 781 0.607 -39.831 -7.311 1.00 0.00 C ATOM 486 O THR A 781 0.500 -40.799 -8.057 1.00 0.00 O ATOM 487 CB THR A 781 -0.849 -39.649 -5.267 1.00 0.00 C ATOM 488 OG1 THR A 781 -0.957 -38.245 -5.200 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.073 -40.209 -3.862 1.00 0.00 C ATOM 0 H THR A 781 1.245 -38.587 -4.499 1.00 0.00 H new ATOM 0 HA THR A 781 0.684 -41.113 -5.616 1.00 0.00 H new ATOM 0 HB THR A 781 -1.596 -40.057 -5.948 1.00 0.00 H new ATOM 0 HG1 THR A 781 -1.886 -37.997 -5.012 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.059 -39.911 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.011 -41.297 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 781 -0.310 -39.819 -3.189 1.00 0.00 H new ATOM 497 N CYS A 782 0.843 -38.598 -7.755 1.00 0.00 N ATOM 498 CA CYS A 782 0.914 -38.230 -9.167 1.00 0.00 C ATOM 499 C CYS A 782 2.142 -38.840 -9.862 1.00 0.00 C ATOM 500 O CYS A 782 2.037 -39.323 -10.989 1.00 0.00 O ATOM 501 CB CYS A 782 0.890 -36.696 -9.266 1.00 0.00 C ATOM 502 SG CYS A 782 -0.714 -36.088 -8.655 1.00 0.00 S ATOM 0 H CYS A 782 0.994 -37.808 -7.127 1.00 0.00 H new ATOM 0 HA CYS A 782 0.053 -38.639 -9.695 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.703 -36.268 -8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.043 -36.383 -10.299 1.00 0.00 H new ATOM 507 N VAL A 783 3.290 -38.857 -9.181 1.00 0.00 N ATOM 508 CA VAL A 783 4.513 -39.510 -9.669 1.00 0.00 C ATOM 509 C VAL A 783 4.369 -41.044 -9.657 1.00 0.00 C ATOM 510 O VAL A 783 4.774 -41.695 -10.618 1.00 0.00 O ATOM 511 CB VAL A 783 5.759 -39.040 -8.873 1.00 0.00 C ATOM 512 CG1 VAL A 783 7.037 -39.770 -9.323 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.998 -37.530 -9.078 1.00 0.00 C ATOM 0 H VAL A 783 3.401 -38.415 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 783 4.662 -39.208 -10.706 1.00 0.00 H new ATOM 0 HB VAL A 783 5.556 -39.265 -7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.885 -39.411 -8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.918 -40.842 -9.167 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.214 -39.574 -10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.876 -37.220 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.159 -37.328 -10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 783 5.128 -36.973 -8.731 1.00 0.00 H new ATOM 523 N SER A 784 3.762 -41.630 -8.614 1.00 0.00 N ATOM 524 CA SER A 784 3.586 -43.093 -8.504 1.00 0.00 C ATOM 525 C SER A 784 2.549 -43.654 -9.499 1.00 0.00 C ATOM 526 O SER A 784 2.806 -44.661 -10.161 1.00 0.00 O ATOM 527 CB SER A 784 3.202 -43.447 -7.059 1.00 0.00 C ATOM 528 OG SER A 784 3.149 -44.849 -6.843 1.00 0.00 O ATOM 0 H SER A 784 3.380 -41.109 -7.825 1.00 0.00 H new ATOM 0 HA SER A 784 4.535 -43.561 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.925 -43.003 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.232 -43.009 -6.826 1.00 0.00 H new ATOM 0 HG SER A 784 2.903 -45.027 -5.911 1.00 0.00 H new ATOM 534 N GLU A 785 1.404 -42.980 -9.666 1.00 0.00 N ATOM 535 CA GLU A 785 0.363 -43.330 -10.645 1.00 0.00 C ATOM 536 C GLU A 785 0.719 -42.889 -12.077 1.00 0.00 C ATOM 537 O GLU A 785 0.013 -43.251 -13.025 1.00 0.00 O ATOM 538 CB GLU A 785 -0.992 -42.727 -10.224 1.00 0.00 C ATOM 539 CG GLU A 785 -1.551 -43.286 -8.908 1.00 0.00 C ATOM 540 CD GLU A 785 -1.994 -44.751 -9.045 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.087 -45.013 -9.603 1.00 0.00 O ATOM 542 OE2 GLU A 785 -1.263 -45.660 -8.580 1.00 0.00 O ATOM 0 H GLU A 785 1.169 -42.157 -9.112 1.00 0.00 H new ATOM 0 HA GLU A 785 0.292 -44.418 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -0.882 -41.647 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.718 -42.904 -11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -0.792 -43.208 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.398 -42.680 -8.588 1.00 0.00 H new ATOM 549 N ASN A 786 1.803 -42.124 -12.258 1.00 0.00 N ATOM 550 CA ASN A 786 2.301 -41.620 -13.547 1.00 0.00 C ATOM 551 C ASN A 786 1.253 -40.757 -14.293 1.00 0.00 C ATOM 552 O ASN A 786 0.938 -40.983 -15.466 1.00 0.00 O ATOM 553 CB ASN A 786 2.902 -42.757 -14.400 1.00 0.00 C ATOM 554 CG ASN A 786 4.225 -43.279 -13.844 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.296 -42.926 -14.325 1.00 0.00 O ATOM 556 ND2 ASN A 786 4.211 -44.119 -12.824 1.00 0.00 N ATOM 0 H ASN A 786 2.384 -41.825 -11.475 1.00 0.00 H new ATOM 0 HA ASN A 786 3.122 -40.934 -13.340 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.188 -43.579 -14.457 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.057 -42.398 -15.418 1.00 0.00 H new ATOM 0 HD21 ASN A 786 5.088 -44.470 -12.441 1.00 0.00 H new ATOM 0 HD22 ASN A 786 3.323 -44.416 -12.420 1.00 0.00 H new ATOM 563 N HIS A 787 0.702 -39.752 -13.592 1.00 0.00 N ATOM 564 CA HIS A 787 -0.127 -38.690 -14.179 1.00 0.00 C ATOM 565 C HIS A 787 0.661 -37.891 -15.230 1.00 0.00 C ATOM 566 O HIS A 787 1.892 -37.819 -15.188 1.00 0.00 O ATOM 567 CB HIS A 787 -0.679 -37.762 -13.071 1.00 0.00 C ATOM 568 CG HIS A 787 -1.732 -38.361 -12.154 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.462 -37.693 -11.161 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.163 -39.662 -12.189 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.313 -38.603 -10.635 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.149 -39.793 -11.235 1.00 0.00 N ATOM 0 H HIS A 787 0.823 -39.655 -12.584 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.972 -39.156 -14.686 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.157 -37.426 -12.458 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -1.102 -36.877 -13.546 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.798 -40.440 -12.843 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.022 -38.402 -9.846 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.665 -40.647 -11.022 1.00 0.00 H new ATOM 580 N ASP A 788 -0.049 -37.269 -16.170 1.00 0.00 N ATOM 581 CA ASP A 788 0.540 -36.338 -17.137 1.00 0.00 C ATOM 582 C ASP A 788 0.661 -34.941 -16.514 1.00 0.00 C ATOM 583 O ASP A 788 -0.296 -34.441 -15.925 1.00 0.00 O ATOM 584 CB ASP A 788 -0.315 -36.286 -18.412 1.00 0.00 C ATOM 585 CG ASP A 788 -0.224 -37.587 -19.229 1.00 0.00 C ATOM 586 OD1 ASP A 788 0.854 -37.867 -19.810 1.00 0.00 O ATOM 587 OD2 ASP A 788 -1.241 -38.314 -19.318 1.00 0.00 O ATOM 0 H ASP A 788 -1.055 -37.396 -16.284 1.00 0.00 H new ATOM 0 HA ASP A 788 1.537 -36.688 -17.404 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -1.355 -36.101 -18.142 1.00 0.00 H new ATOM 0 HB3 ASP A 788 0.008 -35.448 -19.030 1.00 0.00 H new ATOM 592 N PHE A 789 1.817 -34.293 -16.676 1.00 0.00 N ATOM 593 CA PHE A 789 2.056 -32.922 -16.212 1.00 0.00 C ATOM 594 C PHE A 789 2.837 -32.096 -17.238 1.00 0.00 C ATOM 595 O PHE A 789 3.703 -32.616 -17.944 1.00 0.00 O ATOM 596 CB PHE A 789 2.760 -32.878 -14.838 1.00 0.00 C ATOM 597 CG PHE A 789 3.260 -34.170 -14.215 1.00 0.00 C ATOM 598 CD1 PHE A 789 4.574 -34.616 -14.464 1.00 0.00 C ATOM 599 CD2 PHE A 789 2.446 -34.873 -13.312 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.075 -35.754 -13.803 1.00 0.00 C ATOM 601 CE2 PHE A 789 2.947 -36.007 -12.650 1.00 0.00 C ATOM 602 CZ PHE A 789 4.259 -36.453 -12.896 1.00 0.00 C ATOM 0 H PHE A 789 2.625 -34.710 -17.139 1.00 0.00 H new ATOM 0 HA PHE A 789 1.070 -32.472 -16.093 1.00 0.00 H new ATOM 0 HB2 PHE A 789 3.614 -32.207 -14.929 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.069 -32.420 -14.131 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.199 -34.083 -15.165 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.435 -34.542 -13.126 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.084 -36.089 -13.992 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.322 -36.539 -11.949 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.638 -37.329 -12.390 1.00 0.00 H new ATOM 612 N HIS A 790 2.570 -30.790 -17.268 1.00 0.00 N ATOM 613 CA HIS A 790 3.356 -29.798 -18.001 1.00 0.00 C ATOM 614 C HIS A 790 4.112 -28.882 -17.015 1.00 0.00 C ATOM 615 O HIS A 790 3.510 -28.308 -16.103 1.00 0.00 O ATOM 616 CB HIS A 790 2.421 -28.956 -18.889 1.00 0.00 C ATOM 617 CG HIS A 790 1.767 -29.664 -20.053 1.00 0.00 C ATOM 618 ND1 HIS A 790 0.855 -29.096 -20.917 1.00 0.00 N ATOM 619 CD2 HIS A 790 1.981 -30.945 -20.493 1.00 0.00 C ATOM 620 CE1 HIS A 790 0.535 -30.006 -21.853 1.00 0.00 C ATOM 621 NE2 HIS A 790 1.200 -31.157 -21.638 1.00 0.00 N ATOM 0 H HIS A 790 1.779 -30.382 -16.769 1.00 0.00 H new ATOM 0 HA HIS A 790 4.085 -30.312 -18.628 1.00 0.00 H new ATOM 0 HB2 HIS A 790 1.635 -28.542 -18.258 1.00 0.00 H new ATOM 0 HB3 HIS A 790 2.992 -28.114 -19.281 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.640 -31.668 -20.035 1.00 0.00 H new ATOM 0 HE1 HIS A 790 -0.158 -29.838 -22.664 1.00 0.00 H new ATOM 0 HE2 HIS A 790 1.146 -32.010 -22.195 1.00 0.00 H new ATOM 629 N TRP A 791 5.424 -28.717 -17.208 1.00 0.00 N ATOM 630 CA TRP A 791 6.281 -27.825 -16.409 1.00 0.00 C ATOM 631 C TRP A 791 6.454 -26.440 -17.066 1.00 0.00 C ATOM 632 O TRP A 791 6.409 -26.308 -18.292 1.00 0.00 O ATOM 633 CB TRP A 791 7.643 -28.499 -16.168 1.00 0.00 C ATOM 634 CG TRP A 791 7.633 -29.659 -15.218 1.00 0.00 C ATOM 635 CD1 TRP A 791 7.249 -30.920 -15.514 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.050 -29.688 -13.816 1.00 0.00 C ATOM 637 NE1 TRP A 791 7.409 -31.729 -14.405 1.00 0.00 N ATOM 638 CE2 TRP A 791 7.915 -31.023 -13.335 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.527 -28.722 -12.901 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.262 -31.386 -12.028 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.852 -29.069 -11.575 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.724 -30.400 -11.138 1.00 0.00 C ATOM 0 H TRP A 791 5.935 -29.210 -17.940 1.00 0.00 H new ATOM 0 HA TRP A 791 5.791 -27.653 -15.451 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.034 -28.841 -17.126 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.338 -27.749 -15.790 1.00 0.00 H new ATOM 0 HD1 TRP A 791 6.874 -31.247 -16.473 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.181 -32.723 -14.381 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.645 -27.698 -13.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.176 -32.413 -11.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 9.201 -28.310 -10.891 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.980 -30.664 -10.122 1.00 0.00 H new ATOM 653 N HIS A 792 6.681 -25.414 -16.246 1.00 0.00 N ATOM 654 CA HIS A 792 6.834 -24.007 -16.632 1.00 0.00 C ATOM 655 C HIS A 792 7.412 -23.174 -15.466 1.00 0.00 C ATOM 656 O HIS A 792 7.669 -23.715 -14.388 1.00 0.00 O ATOM 657 CB HIS A 792 5.482 -23.450 -17.132 1.00 0.00 C ATOM 658 CG HIS A 792 4.361 -23.460 -16.114 1.00 0.00 C ATOM 659 ND1 HIS A 792 3.783 -22.354 -15.523 1.00 0.00 N ATOM 660 CD2 HIS A 792 3.676 -24.558 -15.657 1.00 0.00 C ATOM 661 CE1 HIS A 792 2.769 -22.777 -14.753 1.00 0.00 C ATOM 662 NE2 HIS A 792 2.662 -24.119 -14.798 1.00 0.00 N ATOM 0 H HIS A 792 6.768 -25.547 -15.239 1.00 0.00 H new ATOM 0 HA HIS A 792 7.549 -23.937 -17.452 1.00 0.00 H new ATOM 0 HB2 HIS A 792 5.633 -22.425 -17.471 1.00 0.00 H new ATOM 0 HB3 HIS A 792 5.168 -24.030 -18.000 1.00 0.00 H new ATOM 0 HD1 HIS A 792 4.076 -21.385 -15.650 1.00 0.00 H new ATOM 0 HD2 HIS A 792 3.884 -25.586 -15.916 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.126 -22.129 -14.176 1.00 0.00 H new ATOM 670 N ASN A 793 7.618 -21.863 -15.646 1.00 0.00 N ATOM 671 CA ASN A 793 8.019 -20.944 -14.571 1.00 0.00 C ATOM 672 C ASN A 793 6.825 -20.200 -13.935 1.00 0.00 C ATOM 673 O ASN A 793 5.773 -20.027 -14.561 1.00 0.00 O ATOM 674 CB ASN A 793 9.069 -19.950 -15.097 1.00 0.00 C ATOM 675 CG ASN A 793 10.447 -20.595 -15.199 1.00 0.00 C ATOM 676 OD1 ASN A 793 10.943 -20.907 -16.278 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.103 -20.825 -14.074 1.00 0.00 N ATOM 0 H ASN A 793 7.510 -21.405 -16.551 1.00 0.00 H new ATOM 0 HA ASN A 793 8.456 -21.548 -13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 793 8.765 -19.582 -16.077 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.118 -19.086 -14.434 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.024 -21.263 -14.101 1.00 0.00 H new ATOM 0 HD22 ASN A 793 10.688 -20.565 -13.179 1.00 0.00 H new ATOM 684 N GLY A 794 7.005 -19.760 -12.684 1.00 0.00 N ATOM 685 CA GLY A 794 6.025 -19.016 -11.881 1.00 0.00 C ATOM 686 C GLY A 794 6.663 -18.266 -10.706 1.00 0.00 C ATOM 687 O GLY A 794 7.881 -18.091 -10.654 1.00 0.00 O ATOM 0 H GLY A 794 7.877 -19.920 -12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.505 -18.303 -12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.275 -19.709 -11.499 1.00 0.00 H new ATOM 691 N VAL A 795 5.832 -17.819 -9.760 1.00 0.00 N ATOM 692 CA VAL A 795 6.238 -17.087 -8.543 1.00 0.00 C ATOM 693 C VAL A 795 5.268 -17.358 -7.390 1.00 0.00 C ATOM 694 O VAL A 795 4.049 -17.338 -7.568 1.00 0.00 O ATOM 695 CB VAL A 795 6.422 -15.564 -8.802 1.00 0.00 C ATOM 696 CG1 VAL A 795 5.238 -14.938 -9.558 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.638 -14.762 -7.509 1.00 0.00 C ATOM 0 H VAL A 795 4.823 -17.958 -9.816 1.00 0.00 H new ATOM 0 HA VAL A 795 7.217 -17.466 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 795 7.318 -15.504 -9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.424 -13.875 -9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.124 -15.428 -10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 795 4.325 -15.068 -8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.760 -13.706 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 795 5.775 -14.886 -6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.532 -15.124 -7.002 1.00 0.00 H new ATOM 707 N LYS A 796 5.824 -17.642 -6.210 1.00 0.00 N ATOM 708 CA LYS A 796 5.090 -18.133 -5.032 1.00 0.00 C ATOM 709 C LYS A 796 4.780 -17.040 -3.996 1.00 0.00 C ATOM 710 O LYS A 796 5.601 -16.158 -3.729 1.00 0.00 O ATOM 711 CB LYS A 796 5.863 -19.326 -4.440 1.00 0.00 C ATOM 712 CG LYS A 796 7.196 -18.942 -3.767 1.00 0.00 C ATOM 713 CD LYS A 796 8.233 -20.062 -3.850 1.00 0.00 C ATOM 714 CE LYS A 796 7.764 -21.349 -3.153 1.00 0.00 C ATOM 715 NZ LYS A 796 8.767 -22.435 -3.295 1.00 0.00 N ATOM 0 H LYS A 796 6.824 -17.535 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 796 4.102 -18.466 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 796 5.230 -19.828 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 796 6.063 -20.045 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.595 -18.045 -4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 796 7.014 -18.695 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.448 -20.277 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 796 9.165 -19.725 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.588 -21.149 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.814 -21.671 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 8.423 -23.291 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.916 -22.640 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.666 -22.135 -2.866 1.00 0.00 H new ATOM 729 N ARG A 797 3.579 -17.117 -3.414 1.00 0.00 N ATOM 730 CA ARG A 797 2.960 -16.191 -2.461 1.00 0.00 C ATOM 731 C ARG A 797 2.778 -16.896 -1.104 1.00 0.00 C ATOM 732 O ARG A 797 2.502 -18.097 -1.070 1.00 0.00 O ATOM 733 CB ARG A 797 1.579 -15.736 -2.983 1.00 0.00 C ATOM 734 CG ARG A 797 1.348 -15.648 -4.502 1.00 0.00 C ATOM 735 CD ARG A 797 2.239 -14.674 -5.275 1.00 0.00 C ATOM 736 NE ARG A 797 1.950 -14.804 -6.711 1.00 0.00 N ATOM 737 CZ ARG A 797 2.073 -13.869 -7.637 1.00 0.00 C ATOM 738 NH1 ARG A 797 2.587 -12.681 -7.380 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.669 -14.139 -8.862 1.00 0.00 N ATOM 0 H ARG A 797 2.959 -17.901 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 797 3.606 -15.321 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.832 -16.417 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 797 1.376 -14.751 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.484 -16.643 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.309 -15.368 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 797 2.056 -13.652 -4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 797 3.290 -14.889 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 797 1.618 -15.715 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.907 -12.457 -6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 797 2.664 -11.987 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 797 1.272 -15.053 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.754 -13.434 -9.594 1.00 0.00 H new ATOM 753 N PHE A 798 2.901 -16.154 -0.002 1.00 0.00 N ATOM 754 CA PHE A 798 2.929 -16.706 1.364 1.00 0.00 C ATOM 755 C PHE A 798 1.673 -16.338 2.166 1.00 0.00 C ATOM 756 O PHE A 798 1.302 -15.161 2.219 1.00 0.00 O ATOM 757 CB PHE A 798 4.204 -16.205 2.059 1.00 0.00 C ATOM 758 CG PHE A 798 5.476 -16.402 1.251 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.841 -17.690 0.816 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.285 -15.303 0.912 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.996 -17.877 0.040 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.443 -15.489 0.134 1.00 0.00 C ATOM 763 CZ PHE A 798 7.799 -16.776 -0.302 1.00 0.00 C ATOM 0 H PHE A 798 2.986 -15.138 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 798 2.937 -17.795 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 798 4.089 -15.144 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.310 -16.721 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.229 -18.539 1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 798 6.017 -14.313 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.267 -18.868 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 798 8.059 -14.641 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.688 -16.919 -0.899 1.00 0.00 H new ATOM 773 N PHE A 799 1.035 -17.322 2.804 1.00 0.00 N ATOM 774 CA PHE A 799 -0.241 -17.166 3.508 1.00 0.00 C ATOM 775 C PHE A 799 -0.233 -17.727 4.934 1.00 0.00 C ATOM 776 O PHE A 799 0.430 -18.724 5.231 1.00 0.00 O ATOM 777 CB PHE A 799 -1.364 -17.846 2.711 1.00 0.00 C ATOM 778 CG PHE A 799 -1.489 -17.359 1.284 1.00 0.00 C ATOM 779 CD1 PHE A 799 -2.214 -16.186 1.007 1.00 0.00 C ATOM 780 CD2 PHE A 799 -0.873 -18.071 0.234 1.00 0.00 C ATOM 781 CE1 PHE A 799 -2.311 -15.708 -0.311 1.00 0.00 C ATOM 782 CE2 PHE A 799 -0.989 -17.604 -1.087 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.694 -16.418 -1.355 1.00 0.00 C ATOM 0 H PHE A 799 1.400 -18.273 2.847 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.411 -16.092 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.189 -18.922 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.311 -17.681 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -2.698 -15.651 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -0.314 -18.971 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -2.857 -14.800 -0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -0.536 -18.157 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.762 -16.051 -2.368 1.00 0.00 H new ATOM 793 N LYS A 800 -1.031 -17.101 5.803 1.00 0.00 N ATOM 794 CA LYS A 800 -1.271 -17.514 7.192 1.00 0.00 C ATOM 795 C LYS A 800 -2.772 -17.542 7.535 1.00 0.00 C ATOM 796 O LYS A 800 -3.562 -16.734 7.042 1.00 0.00 O ATOM 797 CB LYS A 800 -0.489 -16.553 8.110 1.00 0.00 C ATOM 798 CG LYS A 800 -0.634 -16.887 9.597 1.00 0.00 C ATOM 799 CD LYS A 800 0.200 -15.959 10.489 1.00 0.00 C ATOM 800 CE LYS A 800 0.018 -16.297 11.978 1.00 0.00 C ATOM 801 NZ LYS A 800 -1.388 -16.149 12.442 1.00 0.00 N ATOM 0 H LYS A 800 -1.549 -16.259 5.550 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.920 -18.536 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.566 -16.581 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.835 -15.534 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.683 -16.814 9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.329 -17.920 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.253 -16.045 10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 800 -0.091 -14.924 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 800 0.347 -17.321 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.661 -15.648 12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 -1.423 -16.240 13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 -1.749 -15.214 12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 -1.976 -16.889 12.009 1.00 0.00 H new ATOM 815 N CYS A 801 -3.167 -18.480 8.395 1.00 0.00 N ATOM 816 CA CYS A 801 -4.490 -18.621 9.013 1.00 0.00 C ATOM 817 C CYS A 801 -4.494 -18.015 10.447 1.00 0.00 C ATOM 818 O CYS A 801 -3.452 -18.061 11.119 1.00 0.00 O ATOM 819 CB CYS A 801 -4.772 -20.133 9.047 1.00 0.00 C ATOM 820 SG CYS A 801 -6.458 -20.516 9.597 1.00 0.00 S ATOM 0 H CYS A 801 -2.528 -19.214 8.701 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.258 -18.087 8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.614 -20.551 8.053 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -4.058 -20.617 9.713 1.00 0.00 H new ATOM 825 N PRO A 802 -5.627 -17.484 10.955 1.00 0.00 N ATOM 826 CA PRO A 802 -5.712 -16.915 12.303 1.00 0.00 C ATOM 827 C PRO A 802 -5.318 -17.859 13.456 1.00 0.00 C ATOM 828 O PRO A 802 -4.918 -17.356 14.508 1.00 0.00 O ATOM 829 CB PRO A 802 -7.147 -16.385 12.451 1.00 0.00 C ATOM 830 CG PRO A 802 -7.925 -17.045 11.315 1.00 0.00 C ATOM 831 CD PRO A 802 -6.864 -17.202 10.234 1.00 0.00 C ATOM 0 HA PRO A 802 -4.966 -16.126 12.394 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.567 -16.646 13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -7.178 -15.298 12.372 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.344 -18.006 11.615 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.757 -16.426 10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.115 -18.012 9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.774 -16.296 9.635 1.00 0.00 H new ATOM 839 N CYS A 803 -5.385 -19.191 13.285 1.00 0.00 N ATOM 840 CA CYS A 803 -4.954 -20.166 14.300 1.00 0.00 C ATOM 841 C CYS A 803 -3.418 -20.340 14.411 1.00 0.00 C ATOM 842 O CYS A 803 -2.932 -20.910 15.396 1.00 0.00 O ATOM 843 CB CYS A 803 -5.661 -21.512 14.053 1.00 0.00 C ATOM 844 SG CYS A 803 -5.011 -22.357 12.570 1.00 0.00 S ATOM 0 H CYS A 803 -5.742 -19.623 12.433 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.252 -19.763 15.268 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.533 -22.155 14.924 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.732 -21.344 13.936 1.00 0.00 H new ATOM 849 N GLY A 804 -2.653 -19.840 13.425 1.00 0.00 N ATOM 850 CA GLY A 804 -1.184 -19.919 13.347 1.00 0.00 C ATOM 851 C GLY A 804 -0.649 -20.850 12.251 1.00 0.00 C ATOM 852 O GLY A 804 0.546 -20.803 11.956 1.00 0.00 O ATOM 0 H GLY A 804 -3.058 -19.350 12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.788 -18.917 13.179 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.800 -20.256 14.310 1.00 0.00 H new ATOM 856 N ASN A 805 -1.507 -21.664 11.624 1.00 0.00 N ATOM 857 CA ASN A 805 -1.139 -22.523 10.486 1.00 0.00 C ATOM 858 C ASN A 805 -0.829 -21.691 9.220 1.00 0.00 C ATOM 859 O ASN A 805 -1.407 -20.621 9.024 1.00 0.00 O ATOM 860 CB ASN A 805 -2.267 -23.541 10.250 1.00 0.00 C ATOM 861 CG ASN A 805 -1.933 -24.601 9.204 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.782 -24.987 9.023 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.918 -25.089 8.473 1.00 0.00 N ATOM 0 H ASN A 805 -2.487 -21.747 11.893 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.221 -23.062 10.720 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.500 -24.036 11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.165 -23.008 9.939 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.723 -25.788 7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.874 -24.767 8.625 1.00 0.00 H new ATOM 870 N ARG A 806 0.082 -22.162 8.366 1.00 0.00 N ATOM 871 CA ARG A 806 0.603 -21.429 7.194 1.00 0.00 C ATOM 872 C ARG A 806 0.681 -22.307 5.936 1.00 0.00 C ATOM 873 O ARG A 806 0.751 -23.535 6.038 1.00 0.00 O ATOM 874 CB ARG A 806 1.981 -20.833 7.529 1.00 0.00 C ATOM 875 CG ARG A 806 1.886 -19.893 8.742 1.00 0.00 C ATOM 876 CD ARG A 806 3.169 -19.138 9.101 1.00 0.00 C ATOM 877 NE ARG A 806 4.311 -20.024 9.411 1.00 0.00 N ATOM 878 CZ ARG A 806 4.470 -20.814 10.469 1.00 0.00 C ATOM 879 NH1 ARG A 806 3.533 -21.003 11.377 1.00 0.00 N ATOM 880 NH2 ARG A 806 5.613 -21.438 10.631 1.00 0.00 N ATOM 0 H ARG A 806 0.494 -23.090 8.467 1.00 0.00 H new ATOM 0 HA ARG A 806 -0.098 -20.626 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.688 -21.635 7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.365 -20.286 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 806 1.099 -19.164 8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 806 1.576 -20.478 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 806 3.441 -18.486 8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.974 -18.496 9.960 1.00 0.00 H new ATOM 0 HE ARG A 806 5.070 -20.030 8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 806 2.633 -20.532 11.287 1.00 0.00 H new ATOM 0 HH12 ARG A 806 3.708 -21.620 12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 806 6.363 -21.313 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.751 -22.048 11.437 1.00 0.00 H new ATOM 894 N THR A 807 0.675 -21.676 4.748 1.00 0.00 N ATOM 895 CA THR A 807 0.735 -22.344 3.435 1.00 0.00 C ATOM 896 C THR A 807 1.309 -21.432 2.356 1.00 0.00 C ATOM 897 O THR A 807 1.525 -20.238 2.580 1.00 0.00 O ATOM 898 CB THR A 807 -0.632 -22.940 3.054 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.424 -23.900 2.038 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.642 -21.906 2.553 1.00 0.00 C ATOM 0 H THR A 807 0.627 -20.660 4.673 1.00 0.00 H new ATOM 0 HA THR A 807 1.430 -23.180 3.516 1.00 0.00 H new ATOM 0 HB THR A 807 -1.057 -23.375 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.283 -24.295 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.579 -22.404 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.820 -21.164 3.332 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.247 -21.412 1.665 1.00 0.00 H new ATOM 908 N ILE A 808 1.582 -22.000 1.187 1.00 0.00 N ATOM 909 CA ILE A 808 2.246 -21.357 0.038 1.00 0.00 C ATOM 910 C ILE A 808 1.540 -21.817 -1.249 1.00 0.00 C ATOM 911 O ILE A 808 1.196 -22.993 -1.391 1.00 0.00 O ATOM 912 CB ILE A 808 3.764 -21.702 0.016 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.452 -21.475 1.389 1.00 0.00 C ATOM 914 CG2 ILE A 808 4.484 -20.899 -1.085 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.970 -21.709 1.414 1.00 0.00 C ATOM 0 H ILE A 808 1.337 -22.972 0.996 1.00 0.00 H new ATOM 0 HA ILE A 808 2.171 -20.273 0.119 1.00 0.00 H new ATOM 0 HB ILE A 808 3.841 -22.767 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 808 4.254 -20.452 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.988 -22.135 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.544 -21.153 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 808 4.052 -21.143 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.366 -19.832 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.350 -21.523 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 808 6.184 -22.739 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 808 6.454 -21.031 0.712 1.00 0.00 H new ATOM 927 N SER A 809 1.350 -20.913 -2.206 1.00 0.00 N ATOM 928 CA SER A 809 0.758 -21.185 -3.528 1.00 0.00 C ATOM 929 C SER A 809 1.200 -20.123 -4.547 1.00 0.00 C ATOM 930 O SER A 809 1.936 -19.197 -4.210 1.00 0.00 O ATOM 931 CB SER A 809 -0.779 -21.282 -3.415 1.00 0.00 C ATOM 932 OG SER A 809 -1.364 -21.743 -4.625 1.00 0.00 O ATOM 0 H SER A 809 1.611 -19.934 -2.086 1.00 0.00 H new ATOM 0 HA SER A 809 1.120 -22.147 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.043 -21.958 -2.602 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.188 -20.304 -3.162 1.00 0.00 H new ATOM 0 HG SER A 809 -2.337 -21.795 -4.519 1.00 0.00 H new ATOM 938 N LEU A 810 0.801 -20.264 -5.813 1.00 0.00 N ATOM 939 CA LEU A 810 1.269 -19.439 -6.930 1.00 0.00 C ATOM 940 C LEU A 810 0.280 -18.310 -7.266 1.00 0.00 C ATOM 941 O LEU A 810 0.675 -17.269 -7.795 1.00 0.00 O ATOM 942 CB LEU A 810 1.530 -20.351 -8.143 1.00 0.00 C ATOM 943 CG LEU A 810 2.634 -21.428 -8.004 1.00 0.00 C ATOM 944 CD1 LEU A 810 3.958 -20.834 -7.509 1.00 0.00 C ATOM 945 CD2 LEU A 810 2.262 -22.636 -7.133 1.00 0.00 C ATOM 0 H LEU A 810 0.126 -20.974 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 810 2.198 -18.946 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.597 -20.856 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.784 -19.717 -8.992 1.00 0.00 H new ATOM 0 HG LEU A 810 2.750 -21.804 -9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 810 4.703 -21.625 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 810 4.306 -20.080 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 810 3.808 -20.374 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 810 3.100 -23.332 -7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 810 2.029 -22.298 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 810 1.392 -23.137 -7.558 1.00 0.00 H new ATOM 957 N ASP A 811 -1.002 -18.502 -6.933 1.00 0.00 N ATOM 958 CA ASP A 811 -2.077 -17.522 -7.105 1.00 0.00 C ATOM 959 C ASP A 811 -2.243 -16.656 -5.844 1.00 0.00 C ATOM 960 O ASP A 811 -1.741 -16.990 -4.767 1.00 0.00 O ATOM 961 CB ASP A 811 -3.378 -18.277 -7.435 1.00 0.00 C ATOM 962 CG ASP A 811 -4.474 -17.353 -7.977 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.383 -16.939 -9.156 1.00 0.00 O ATOM 964 OD2 ASP A 811 -5.402 -17.026 -7.206 1.00 0.00 O ATOM 0 H ASP A 811 -1.329 -19.376 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 811 -1.829 -16.846 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.167 -19.054 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -3.741 -18.778 -6.537 1.00 0.00 H new ATOM 969 N ARG A 812 -2.992 -15.552 -5.965 1.00 0.00 N ATOM 970 CA ARG A 812 -3.231 -14.583 -4.880 1.00 0.00 C ATOM 971 C ARG A 812 -4.107 -15.092 -3.717 1.00 0.00 C ATOM 972 O ARG A 812 -4.330 -14.352 -2.755 1.00 0.00 O ATOM 973 CB ARG A 812 -3.674 -13.225 -5.454 1.00 0.00 C ATOM 974 CG ARG A 812 -4.935 -13.154 -6.341 1.00 0.00 C ATOM 975 CD ARG A 812 -6.264 -13.490 -5.648 1.00 0.00 C ATOM 976 NE ARG A 812 -6.646 -14.893 -5.867 1.00 0.00 N ATOM 977 CZ ARG A 812 -7.791 -15.476 -5.557 1.00 0.00 C ATOM 978 NH1 ARG A 812 -8.761 -14.853 -4.919 1.00 0.00 N ATOM 979 NH2 ARG A 812 -7.958 -16.732 -5.904 1.00 0.00 N ATOM 0 H ARG A 812 -3.459 -15.300 -6.836 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.269 -14.437 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -3.827 -12.548 -4.613 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -2.842 -12.828 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.008 -12.148 -6.755 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -4.803 -13.836 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.177 -13.298 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -7.049 -12.835 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 812 -5.945 -15.486 -6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -8.646 -13.878 -4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.627 -15.346 -4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -7.216 -17.228 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -8.830 -17.211 -5.680 1.00 0.00 H new ATOM 993 N LEU A 813 -4.558 -16.353 -3.767 1.00 0.00 N ATOM 994 CA LEU A 813 -5.166 -17.100 -2.660 1.00 0.00 C ATOM 995 C LEU A 813 -5.045 -18.615 -2.944 1.00 0.00 C ATOM 996 O LEU A 813 -5.270 -19.008 -4.096 1.00 0.00 O ATOM 997 CB LEU A 813 -6.633 -16.662 -2.493 1.00 0.00 C ATOM 998 CG LEU A 813 -7.261 -16.938 -1.111 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.628 -16.062 -0.012 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.764 -16.641 -1.173 1.00 0.00 C ATOM 0 H LEU A 813 -4.506 -16.906 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.647 -16.890 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.699 -15.593 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.232 -17.167 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.080 -17.984 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.097 -16.285 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.560 -16.270 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.779 -15.010 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.214 -16.834 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.918 -15.596 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.231 -17.281 -1.922 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.704 -19.472 -1.956 1.00 0.00 N ATOM 1013 CA PRO A 814 -4.606 -20.918 -2.144 1.00 0.00 C ATOM 1014 C PRO A 814 -5.988 -21.557 -2.316 1.00 0.00 C ATOM 1015 O PRO A 814 -7.014 -20.968 -1.977 1.00 0.00 O ATOM 1016 CB PRO A 814 -3.876 -21.444 -0.899 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.278 -20.446 0.181 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.329 -19.130 -0.592 1.00 0.00 C ATOM 0 HA PRO A 814 -4.062 -21.171 -3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.187 -22.458 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -2.796 -21.468 -1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.242 -20.694 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.552 -20.412 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.054 -18.447 -0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.362 -18.628 -0.569 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.025 -22.783 -2.854 1.00 0.00 N ATOM 1027 CA LYS A 815 -7.262 -23.494 -3.214 1.00 0.00 C ATOM 1028 C LYS A 815 -7.831 -24.396 -2.101 1.00 0.00 C ATOM 1029 O LYS A 815 -8.956 -24.888 -2.225 1.00 0.00 O ATOM 1030 CB LYS A 815 -7.023 -24.241 -4.545 1.00 0.00 C ATOM 1031 CG LYS A 815 -5.920 -25.319 -4.552 1.00 0.00 C ATOM 1032 CD LYS A 815 -6.408 -26.696 -4.084 1.00 0.00 C ATOM 1033 CE LYS A 815 -5.240 -27.690 -4.070 1.00 0.00 C ATOM 1034 NZ LYS A 815 -5.681 -29.075 -3.768 1.00 0.00 N ATOM 0 H LYS A 815 -5.181 -23.320 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.052 -22.755 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -7.960 -24.712 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -6.781 -23.503 -5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -5.517 -25.409 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -5.102 -24.995 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -6.842 -26.618 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -7.195 -27.056 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -4.740 -27.673 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -4.507 -27.375 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -4.857 -29.710 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -6.134 -29.099 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -6.361 -29.388 -4.490 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.057 -24.650 -1.041 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.336 -25.660 -0.001 1.00 0.00 C ATOM 1050 C LYS A 816 -7.725 -25.059 1.363 1.00 0.00 C ATOM 1051 O LYS A 816 -7.305 -23.957 1.715 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.135 -26.637 0.080 1.00 0.00 C ATOM 1053 CG LYS A 816 -4.748 -26.027 0.389 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.412 -25.909 1.883 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.175 -27.289 2.518 1.00 0.00 C ATOM 1056 NZ LYS A 816 -4.071 -27.197 3.997 1.00 0.00 N ATOM 0 H LYS A 816 -6.188 -24.144 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.227 -26.216 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.355 -27.381 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.067 -27.168 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -3.984 -26.636 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -4.695 -25.035 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.523 -25.292 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.227 -25.404 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -4.992 -27.959 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.261 -27.724 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -3.811 -28.126 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.343 -26.499 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -4.987 -26.901 4.392 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.510 -25.787 2.159 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.861 -25.419 3.543 1.00 0.00 C ATOM 1072 C HIS A 817 -7.704 -25.701 4.527 1.00 0.00 C ATOM 1073 O HIS A 817 -6.780 -26.465 4.232 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.129 -26.179 3.974 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.434 -25.603 3.479 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -12.595 -25.522 4.215 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -11.717 -25.092 2.239 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.553 -24.987 3.442 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.067 -24.705 2.220 1.00 0.00 N ATOM 0 H HIS A 817 -8.931 -26.667 1.860 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.051 -24.346 3.568 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.051 -27.208 3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.158 -26.214 5.063 1.00 0.00 H new ATOM 0 HD1 HIS A 817 -12.708 -25.819 5.184 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -11.021 -25.002 1.418 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -14.571 -24.808 3.757 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.760 -25.115 5.723 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.791 -25.316 6.800 1.00 0.00 C ATOM 1089 C CYS A 818 -6.715 -26.784 7.273 1.00 0.00 C ATOM 1090 O CYS A 818 -7.733 -27.447 7.494 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.170 -24.368 7.937 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.938 -24.431 9.277 1.00 0.00 S ATOM 0 H CYS A 818 -8.505 -24.466 5.977 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.789 -25.092 6.435 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.246 -23.350 7.556 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.152 -24.637 8.328 1.00 0.00 H new ATOM 1097 N SER A 819 -5.500 -27.281 7.468 1.00 0.00 N ATOM 1098 CA SER A 819 -5.229 -28.619 8.020 1.00 0.00 C ATOM 1099 C SER A 819 -5.417 -28.694 9.547 1.00 0.00 C ATOM 1100 O SER A 819 -5.516 -29.798 10.103 1.00 0.00 O ATOM 1101 CB SER A 819 -3.792 -29.043 7.682 1.00 0.00 C ATOM 1102 OG SER A 819 -3.502 -28.947 6.291 1.00 0.00 O ATOM 0 H SER A 819 -4.652 -26.760 7.245 1.00 0.00 H new ATOM 0 HA SER A 819 -5.955 -29.292 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.093 -28.418 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.634 -30.070 8.012 1.00 0.00 H new ATOM 0 HG SER A 819 -2.576 -29.226 6.130 1.00 0.00 H new ATOM 1108 N THR A 820 -5.439 -27.540 10.236 1.00 0.00 N ATOM 1109 CA THR A 820 -5.382 -27.443 11.706 1.00 0.00 C ATOM 1110 C THR A 820 -6.748 -27.133 12.325 1.00 0.00 C ATOM 1111 O THR A 820 -7.025 -27.646 13.410 1.00 0.00 O ATOM 1112 CB THR A 820 -4.334 -26.386 12.094 1.00 0.00 C ATOM 1113 OG1 THR A 820 -3.090 -26.759 11.538 1.00 0.00 O ATOM 1114 CG2 THR A 820 -4.119 -26.230 13.601 1.00 0.00 C ATOM 0 H THR A 820 -5.498 -26.630 9.778 1.00 0.00 H new ATOM 0 HA THR A 820 -5.088 -28.413 12.107 1.00 0.00 H new ATOM 0 HB THR A 820 -4.714 -25.437 11.715 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.383 -26.187 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.364 -25.465 13.784 1.00 0.00 H new ATOM 0 HG22 THR A 820 -5.056 -25.936 14.074 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.783 -27.178 14.021 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.610 -26.353 11.654 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.956 -26.001 12.138 1.00 0.00 C ATOM 1124 C CYS A 821 -10.107 -26.176 11.118 1.00 0.00 C ATOM 1125 O CYS A 821 -11.276 -26.214 11.516 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.916 -24.588 12.748 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.698 -23.260 11.517 1.00 0.00 S ATOM 0 H CYS A 821 -7.389 -25.943 10.747 1.00 0.00 H new ATOM 0 HA CYS A 821 -9.210 -26.734 12.904 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.841 -24.413 13.297 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -8.102 -24.538 13.471 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.803 -26.364 9.829 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.743 -26.852 8.802 1.00 0.00 C ATOM 1134 C GLY A 822 -11.481 -25.785 7.990 1.00 0.00 C ATOM 1135 O GLY A 822 -12.166 -26.134 7.026 1.00 0.00 O ATOM 0 H GLY A 822 -8.872 -26.177 9.457 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.192 -27.487 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.485 -27.483 9.291 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.361 -24.497 8.347 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.989 -23.378 7.630 1.00 0.00 C ATOM 1141 C LEU A 823 -11.110 -22.814 6.489 1.00 0.00 C ATOM 1142 O LEU A 823 -10.058 -23.370 6.165 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.495 -22.329 8.653 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.477 -21.745 9.662 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.239 -21.116 9.011 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.185 -20.696 10.537 1.00 0.00 C ATOM 0 H LEU A 823 -10.815 -24.200 9.156 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.864 -23.744 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.924 -21.498 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.306 -22.783 9.222 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.113 -22.583 10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.576 -20.731 9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.713 -21.870 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.547 -20.299 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.475 -20.279 11.251 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.575 -19.898 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -13.007 -21.167 11.076 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.552 -21.711 5.882 1.00 0.00 N ATOM 1159 CA PHE A 824 -10.890 -21.018 4.772 1.00 0.00 C ATOM 1160 C PHE A 824 -10.833 -19.500 5.048 1.00 0.00 C ATOM 1161 O PHE A 824 -11.715 -18.742 4.637 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.639 -21.378 3.474 1.00 0.00 C ATOM 1163 CG PHE A 824 -10.964 -20.911 2.197 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -9.880 -21.641 1.680 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.416 -19.765 1.522 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.252 -21.235 0.492 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.790 -19.359 0.331 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.708 -20.090 -0.187 1.00 0.00 C ATOM 0 H PHE A 824 -12.420 -21.255 6.162 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.853 -21.337 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -11.759 -22.460 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.639 -20.947 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -9.528 -22.520 2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.244 -19.196 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -8.420 -21.801 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.143 -18.480 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.228 -19.775 -1.102 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.800 -19.062 5.784 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.589 -17.665 6.226 1.00 0.00 C ATOM 1180 C LYS A 825 -8.127 -17.192 6.021 1.00 0.00 C ATOM 1181 O LYS A 825 -7.581 -16.423 6.820 1.00 0.00 O ATOM 1182 CB LYS A 825 -10.065 -17.514 7.687 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.579 -17.700 7.914 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.424 -16.576 7.296 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.905 -16.806 7.632 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.774 -15.746 7.061 1.00 0.00 N ATOM 0 H LYS A 825 -9.060 -19.688 6.101 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.189 -17.006 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.531 -18.239 8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.781 -16.524 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.889 -18.655 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.776 -17.748 8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.099 -15.609 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.284 -16.554 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.218 -17.777 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -14.031 -16.835 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.765 -15.938 7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -14.493 -14.822 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.673 -15.735 6.026 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.475 -17.676 4.962 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.095 -17.338 4.598 1.00 0.00 C ATOM 1202 C TRP A 826 -5.886 -15.829 4.352 1.00 0.00 C ATOM 1203 O TRP A 826 -6.715 -15.175 3.715 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.695 -18.127 3.346 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.708 -19.618 3.507 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.572 -20.459 2.900 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.830 -20.458 4.316 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.275 -21.761 3.244 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.217 -21.822 4.129 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.741 -20.218 5.181 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.561 -22.886 4.763 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.085 -21.281 5.835 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.484 -22.614 5.624 1.00 0.00 C ATOM 0 H TRP A 826 -7.905 -18.335 4.313 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.462 -17.608 5.444 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.371 -17.858 2.534 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.694 -17.818 3.044 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.375 -20.158 2.244 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.774 -22.577 2.889 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.405 -19.205 5.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.880 -23.904 4.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.266 -21.070 6.506 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.966 -23.422 6.120 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.762 -15.301 4.839 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.323 -13.910 4.679 1.00 0.00 C ATOM 1226 C GLU A 827 -2.889 -13.863 4.133 1.00 0.00 C ATOM 1227 O GLU A 827 -2.027 -14.613 4.593 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.390 -13.220 6.050 1.00 0.00 C ATOM 1229 CG GLU A 827 -4.068 -11.718 6.029 1.00 0.00 C ATOM 1230 CD GLU A 827 -5.092 -10.923 5.200 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -6.122 -10.486 5.769 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -4.868 -10.721 3.985 1.00 0.00 O ATOM 0 H GLU A 827 -4.100 -15.856 5.382 1.00 0.00 H new ATOM 0 HA GLU A 827 -4.972 -13.396 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.390 -13.358 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.695 -13.717 6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -4.052 -11.336 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -3.071 -11.566 5.616 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.621 -12.973 3.168 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.286 -12.766 2.589 1.00 0.00 C ATOM 1241 C ARG A 828 -0.326 -12.203 3.649 1.00 0.00 C ATOM 1242 O ARG A 828 -0.573 -11.132 4.205 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.415 -11.827 1.370 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.127 -11.590 0.563 1.00 0.00 C ATOM 1245 CD ARG A 828 0.320 -12.809 -0.252 1.00 0.00 C ATOM 1246 NE ARG A 828 1.359 -12.433 -1.234 1.00 0.00 N ATOM 1247 CZ ARG A 828 2.677 -12.488 -1.087 1.00 0.00 C ATOM 1248 NH1 ARG A 828 3.271 -12.837 0.030 1.00 0.00 N ATOM 1249 NH2 ARG A 828 3.469 -12.184 -2.085 1.00 0.00 N ATOM 0 H ARG A 828 -3.335 -12.368 2.762 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.868 -13.715 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.170 -12.236 0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -1.786 -10.862 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.281 -10.749 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.673 -11.307 1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.707 -13.577 0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.537 -13.240 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 828 1.022 -12.090 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 828 2.714 -13.085 0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 828 4.289 -12.860 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 828 3.074 -11.903 -2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.481 -12.228 -1.965 1.00 0.00 H new ATOM 1263 N VAL A 829 0.775 -12.907 3.910 1.00 0.00 N ATOM 1264 CA VAL A 829 1.864 -12.505 4.828 1.00 0.00 C ATOM 1265 C VAL A 829 3.186 -12.324 4.071 1.00 0.00 C ATOM 1266 O VAL A 829 3.277 -12.648 2.886 1.00 0.00 O ATOM 1267 CB VAL A 829 2.037 -13.490 6.009 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.830 -13.413 6.955 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.264 -14.944 5.569 1.00 0.00 C ATOM 0 H VAL A 829 0.949 -13.813 3.474 1.00 0.00 H new ATOM 0 HA VAL A 829 1.575 -11.544 5.254 1.00 0.00 H new ATOM 0 HB VAL A 829 2.941 -13.177 6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.969 -14.112 7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.740 -12.401 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.077 -13.671 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.377 -15.577 6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.410 -15.285 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.167 -15.003 4.961 1.00 0.00 H new ATOM 1279 N GLY A 830 4.212 -11.793 4.742 1.00 0.00 N ATOM 1280 CA GLY A 830 5.518 -11.515 4.138 1.00 0.00 C ATOM 1281 C GLY A 830 6.393 -12.757 3.952 1.00 0.00 C ATOM 1282 O GLY A 830 5.971 -13.888 4.199 1.00 0.00 O ATOM 0 H GLY A 830 4.159 -11.542 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.365 -11.042 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 830 6.051 -10.798 4.762 1.00 0.00 H new ATOM 1286 N MET A 831 7.629 -12.524 3.501 1.00 0.00 N ATOM 1287 CA MET A 831 8.655 -13.560 3.319 1.00 0.00 C ATOM 1288 C MET A 831 8.941 -14.318 4.631 1.00 0.00 C ATOM 1289 O MET A 831 8.976 -13.727 5.714 1.00 0.00 O ATOM 1290 CB MET A 831 9.928 -12.911 2.762 1.00 0.00 C ATOM 1291 CG MET A 831 10.995 -13.934 2.356 1.00 0.00 C ATOM 1292 SD MET A 831 12.473 -13.181 1.627 1.00 0.00 S ATOM 1293 CE MET A 831 13.447 -14.687 1.376 1.00 0.00 C ATOM 0 H MET A 831 7.953 -11.591 3.246 1.00 0.00 H new ATOM 0 HA MET A 831 8.286 -14.300 2.608 1.00 0.00 H new ATOM 0 HB2 MET A 831 9.669 -12.301 1.896 1.00 0.00 H new ATOM 0 HB3 MET A 831 10.344 -12.239 3.512 1.00 0.00 H new ATOM 0 HG2 MET A 831 11.286 -14.512 3.233 1.00 0.00 H new ATOM 0 HG3 MET A 831 10.563 -14.634 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 831 14.407 -14.429 0.929 1.00 0.00 H new ATOM 0 HE2 MET A 831 13.613 -15.177 2.335 1.00 0.00 H new ATOM 0 HE3 MET A 831 12.908 -15.363 0.712 1.00 0.00 H new ATOM 1303 N LEU A 832 9.169 -15.633 4.519 1.00 0.00 N ATOM 1304 CA LEU A 832 9.424 -16.521 5.658 1.00 0.00 C ATOM 1305 C LEU A 832 10.823 -16.252 6.235 1.00 0.00 C ATOM 1306 O LEU A 832 11.836 -16.412 5.548 1.00 0.00 O ATOM 1307 CB LEU A 832 9.276 -17.998 5.227 1.00 0.00 C ATOM 1308 CG LEU A 832 7.825 -18.504 5.059 1.00 0.00 C ATOM 1309 CD1 LEU A 832 7.031 -17.794 3.956 1.00 0.00 C ATOM 1310 CD2 LEU A 832 7.854 -20.006 4.737 1.00 0.00 C ATOM 0 H LEU A 832 9.181 -16.116 3.621 1.00 0.00 H new ATOM 0 HA LEU A 832 8.689 -16.320 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 832 9.801 -18.136 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 832 9.777 -18.625 5.965 1.00 0.00 H new ATOM 0 HG LEU A 832 7.320 -18.289 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 832 6.025 -18.210 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 832 6.972 -16.729 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 832 7.531 -17.938 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 832 6.834 -20.372 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 832 8.410 -20.169 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 832 8.339 -20.544 5.552 1.00 0.00 H new ATOM 1322 N LYS A 833 10.882 -15.873 7.514 1.00 0.00 N ATOM 1323 CA LYS A 833 12.118 -15.553 8.252 1.00 0.00 C ATOM 1324 C LYS A 833 12.685 -16.726 9.084 1.00 0.00 C ATOM 1325 O LYS A 833 13.624 -16.546 9.867 1.00 0.00 O ATOM 1326 CB LYS A 833 11.885 -14.262 9.069 1.00 0.00 C ATOM 1327 CG LYS A 833 10.687 -14.211 10.035 1.00 0.00 C ATOM 1328 CD LYS A 833 10.777 -15.192 11.218 1.00 0.00 C ATOM 1329 CE LYS A 833 9.659 -14.981 12.242 1.00 0.00 C ATOM 1330 NZ LYS A 833 9.821 -13.721 13.017 1.00 0.00 N ATOM 0 H LYS A 833 10.045 -15.775 8.089 1.00 0.00 H new ATOM 0 HA LYS A 833 12.913 -15.374 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 833 12.787 -14.069 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 833 11.778 -13.438 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 833 10.595 -13.198 10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 833 9.776 -14.420 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 833 10.733 -16.214 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 833 11.743 -15.075 11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 833 8.698 -14.965 11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 833 9.638 -15.826 12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 9.098 -13.677 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 10.766 -13.699 13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 9.712 -12.906 12.381 1.00 0.00 H new ATOM 1344 N GLU A 834 12.095 -17.913 8.951 1.00 0.00 N ATOM 1345 CA GLU A 834 12.423 -19.115 9.732 1.00 0.00 C ATOM 1346 C GLU A 834 13.836 -19.640 9.409 1.00 0.00 C ATOM 1347 O GLU A 834 14.273 -19.644 8.251 1.00 0.00 O ATOM 1348 CB GLU A 834 11.374 -20.219 9.502 1.00 0.00 C ATOM 1349 CG GLU A 834 9.989 -19.820 10.036 1.00 0.00 C ATOM 1350 CD GLU A 834 8.969 -20.957 9.888 1.00 0.00 C ATOM 1351 OE1 GLU A 834 9.148 -22.025 10.518 1.00 0.00 O ATOM 1352 OE2 GLU A 834 7.951 -20.783 9.174 1.00 0.00 O ATOM 0 H GLU A 834 11.349 -18.075 8.274 1.00 0.00 H new ATOM 0 HA GLU A 834 12.408 -18.831 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 834 11.303 -20.435 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 834 11.700 -21.137 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 834 10.072 -19.541 11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 834 9.633 -18.941 9.500 1.00 0.00 H new ATOM 1359 N LYS A 835 14.562 -20.080 10.440 1.00 0.00 N ATOM 1360 CA LYS A 835 15.961 -20.532 10.361 1.00 0.00 C ATOM 1361 C LYS A 835 16.136 -21.926 9.705 1.00 0.00 C ATOM 1362 O LYS A 835 15.166 -22.685 9.572 1.00 0.00 O ATOM 1363 CB LYS A 835 16.536 -20.501 11.789 1.00 0.00 C ATOM 1364 CG LYS A 835 16.620 -19.071 12.353 1.00 0.00 C ATOM 1365 CD LYS A 835 17.040 -19.107 13.824 1.00 0.00 C ATOM 1366 CE LYS A 835 17.217 -17.705 14.424 1.00 0.00 C ATOM 1367 NZ LYS A 835 18.405 -16.997 13.879 1.00 0.00 N ATOM 0 H LYS A 835 14.183 -20.135 11.386 1.00 0.00 H new ATOM 0 HA LYS A 835 16.508 -19.857 9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 835 15.913 -21.111 12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 835 17.530 -20.948 11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 835 17.337 -18.487 11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 835 15.654 -18.576 12.255 1.00 0.00 H new ATOM 0 HD2 LYS A 835 16.291 -19.652 14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 835 17.976 -19.658 13.917 1.00 0.00 H new ATOM 0 HE2 LYS A 835 16.323 -17.113 14.226 1.00 0.00 H new ATOM 0 HE3 LYS A 835 17.312 -17.786 15.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 18.499 -16.070 14.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 19.259 -17.562 14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 18.289 -16.863 12.854 1.00 0.00 H new ATOM 1381 N THR A 836 17.396 -22.244 9.347 1.00 0.00 N ATOM 1382 CA THR A 836 17.943 -23.534 8.858 1.00 0.00 C ATOM 1383 C THR A 836 17.845 -23.622 7.335 1.00 0.00 C ATOM 1384 O THR A 836 16.829 -23.256 6.745 1.00 0.00 O ATOM 1385 CB THR A 836 17.317 -24.765 9.544 1.00 0.00 C ATOM 1386 OG1 THR A 836 17.421 -24.583 10.944 1.00 0.00 O ATOM 1387 CG2 THR A 836 18.050 -26.066 9.197 1.00 0.00 C ATOM 0 H THR A 836 18.131 -21.538 9.396 1.00 0.00 H new ATOM 0 HA THR A 836 18.997 -23.551 9.137 1.00 0.00 H new ATOM 0 HB THR A 836 16.286 -24.849 9.202 1.00 0.00 H new ATOM 0 HG1 THR A 836 17.027 -25.354 11.404 1.00 0.00 H new ATOM 0 HG21 THR A 836 17.569 -26.901 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 836 18.014 -26.228 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 836 19.089 -25.995 9.519 1.00 0.00 H new ATOM 1395 N GLY A 837 18.910 -24.123 6.704 1.00 0.00 N ATOM 1396 CA GLY A 837 19.012 -24.341 5.254 1.00 0.00 C ATOM 1397 C GLY A 837 20.319 -25.022 4.833 1.00 0.00 C ATOM 1398 O GLY A 837 21.175 -25.267 5.694 1.00 0.00 O ATOM 0 H GLY A 837 19.756 -24.398 7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 837 18.171 -24.951 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 837 18.929 -23.382 4.743 1.00 0.00 H new ATOM 1402 N PRO A 838 20.487 -25.351 3.536 1.00 0.00 N ATOM 1403 CA PRO A 838 21.655 -26.061 3.023 1.00 0.00 C ATOM 1404 C PRO A 838 22.903 -25.166 3.025 1.00 0.00 C ATOM 1405 O PRO A 838 22.840 -23.979 2.706 1.00 0.00 O ATOM 1406 CB PRO A 838 21.273 -26.510 1.609 1.00 0.00 C ATOM 1407 CG PRO A 838 20.260 -25.453 1.169 1.00 0.00 C ATOM 1408 CD PRO A 838 19.529 -25.111 2.466 1.00 0.00 C ATOM 0 HA PRO A 838 21.915 -26.914 3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 838 22.139 -26.538 0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 838 20.838 -27.510 1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 838 20.750 -24.579 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 838 19.578 -25.839 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 838 19.196 -24.073 2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 838 18.641 -25.731 2.590 1.00 0.00 H new ATOM 1416 N LYS A 839 24.051 -25.748 3.377 1.00 0.00 N ATOM 1417 CA LYS A 839 25.352 -25.058 3.438 1.00 0.00 C ATOM 1418 C LYS A 839 26.135 -25.059 2.106 1.00 0.00 C ATOM 1419 O LYS A 839 27.145 -24.355 1.986 1.00 0.00 O ATOM 1420 CB LYS A 839 26.188 -25.699 4.563 1.00 0.00 C ATOM 1421 CG LYS A 839 25.526 -25.702 5.961 1.00 0.00 C ATOM 1422 CD LYS A 839 25.116 -24.319 6.492 1.00 0.00 C ATOM 1423 CE LYS A 839 26.318 -23.364 6.608 1.00 0.00 C ATOM 1424 NZ LYS A 839 25.921 -22.047 7.162 1.00 0.00 N ATOM 0 H LYS A 839 24.109 -26.733 3.634 1.00 0.00 H new ATOM 0 HA LYS A 839 25.154 -24.006 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 839 26.413 -26.728 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 839 27.140 -25.172 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 839 24.641 -26.337 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 839 26.216 -26.157 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 839 24.370 -23.883 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 839 24.647 -24.431 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 839 27.079 -23.813 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 839 26.768 -23.225 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 26.756 -21.431 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 25.213 -21.608 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 25.515 -22.178 8.110 1.00 0.00 H new ATOM 1438 N LEU A 840 25.690 -25.849 1.121 1.00 0.00 N ATOM 1439 CA LEU A 840 26.335 -26.080 -0.185 1.00 0.00 C ATOM 1440 C LEU A 840 25.368 -25.814 -1.351 1.00 0.00 C ATOM 1441 O LEU A 840 24.149 -25.733 -1.165 1.00 0.00 O ATOM 1442 CB LEU A 840 26.857 -27.532 -0.232 1.00 0.00 C ATOM 1443 CG LEU A 840 27.938 -27.896 0.806 1.00 0.00 C ATOM 1444 CD1 LEU A 840 28.252 -29.396 0.704 1.00 0.00 C ATOM 1445 CD2 LEU A 840 29.226 -27.091 0.594 1.00 0.00 C ATOM 0 H LEU A 840 24.822 -26.375 1.216 1.00 0.00 H new ATOM 0 HA LEU A 840 27.166 -25.383 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 840 26.011 -28.206 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 840 27.259 -27.720 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 840 27.551 -27.653 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 840 29.016 -29.658 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 840 27.347 -29.971 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 840 28.616 -29.624 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 840 29.962 -27.377 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 840 29.624 -27.296 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 840 29.009 -26.027 0.685 1.00 0.00 H new ATOM 1457 N GLY A 841 25.922 -25.699 -2.564 1.00 0.00 N ATOM 1458 CA GLY A 841 25.178 -25.582 -3.827 1.00 0.00 C ATOM 1459 C GLY A 841 24.776 -26.941 -4.420 1.00 0.00 C ATOM 1460 O GLY A 841 24.626 -27.935 -3.704 1.00 0.00 O ATOM 0 H GLY A 841 26.933 -25.684 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 841 24.281 -24.986 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 841 25.788 -25.042 -4.552 1.00 0.00 H new ATOM 1464 N GLY A 842 24.585 -26.978 -5.740 1.00 0.00 N ATOM 1465 CA GLY A 842 24.177 -28.168 -6.509 1.00 0.00 C ATOM 1466 C GLY A 842 24.208 -27.965 -8.027 1.00 0.00 C ATOM 1467 O GLY A 842 24.376 -28.977 -8.745 1.00 0.00 O ATOM 1468 OXT GLY A 842 24.075 -26.810 -8.496 1.00 0.00 O ATOM 0 H GLY A 842 24.713 -26.155 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 842 24.833 -28.999 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 842 23.168 -28.453 -6.211 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.364 -35.595 -10.414 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.526 -22.588 10.722 1.00 0.00 ZN