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= 1.96 K(o=2.4,f=-1.7) USER MOD Set 1.2: A 819 SER OG : rot -99:sc= 0.477 USER MOD Set 1.3: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 807 THR OG1 : rot 121:sc= 0.639 USER MOD Set 2.2: A 816 LYS NZ :NH3+ -173:sc= 0.538 (180deg=0) USER MOD Set 3.1: A 763 CYS SG : rot 22:sc= 0.376 USER MOD Set 3.2: A 796 LYS NZ :NH3+ -133:sc= 0.106 (180deg=0) USER MOD Set 4.1: A 779 LYS NZ :NH3+ 137:sc= 1.42 (180deg=-1.21!) USER MOD Set 4.2: A 781 THR OG1 : rot -170:sc= 0.298 USER MOD Set 5.1: A 769 LYS NZ :NH3+ 179:sc= 0.0538 (180deg=-0.021) USER MOD Set 5.2: A 790 HIS : no HD1:sc=-0.00838 X(o=0.045,f=-0.15) USER MOD Set 6.1: A 767 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 792 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.25) USER MOD Set 7.1: A 756 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 7.2: A 757 SER OG : rot 180:sc= 0 USER MOD Single : A -2 MET CE :methyl 170:sc=-4.07e-05 (180deg=-0.155) USER MOD Single : A -4 GLY N :NH3+ -119:sc= 0.0971 (180deg=0) USER MOD Single : A 755 MET CE :methyl -138:sc= -0.066 (180deg=-0.144) USER MOD Single : A 761 GLN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ -162:sc= 0.575 (180deg=0.422) USER MOD Single : A 773 TYR OH : rot -171:sc= 1.47 USER MOD Single : A 774 THR OG1 : rot 180:sc= 0 USER MOD Single : A 775 HIS : no HE2:sc= 0.493 K(o=0.49,f=-1.6!) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 793 ASN : amide:sc= -0.184 K(o=-0.18,f=-3.9!) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 SER OG : rot 180:sc= 0.134 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 825 LYS NZ :NH3+ -121:sc= 0.112 (180deg=-0.0088) USER MOD Single : A 831 MET CE :methyl 170:sc= 0 (180deg=-0.131) USER MOD Single : A 833 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 835 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 836 THR OG1 : rot 180:sc= 0 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 11.125 7.045 -0.026 1.00 0.00 N ATOM 2 CA GLY A -4 11.658 5.664 -0.131 1.00 0.00 C ATOM 3 C GLY A -4 11.819 5.211 -1.583 1.00 0.00 C ATOM 4 O GLY A -4 11.400 5.922 -2.506 1.00 0.00 O ATOM 0 H1 GLY A -4 11.816 7.648 0.465 1.00 0.00 H new ATOM 0 H2 GLY A -4 10.951 7.423 -0.979 1.00 0.00 H new ATOM 0 H3 GLY A -4 10.234 7.033 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A -4 12.623 5.610 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A -4 10.989 4.978 0.389 1.00 0.00 H new ATOM 10 N PRO A -3 12.416 4.023 -1.810 1.00 0.00 N ATOM 11 CA PRO A -3 12.642 3.451 -3.138 1.00 0.00 C ATOM 12 C PRO A -3 11.345 2.907 -3.760 1.00 0.00 C ATOM 13 O PRO A -3 10.320 2.781 -3.090 1.00 0.00 O ATOM 14 CB PRO A -3 13.681 2.348 -2.917 1.00 0.00 C ATOM 15 CG PRO A -3 13.360 1.849 -1.510 1.00 0.00 C ATOM 16 CD PRO A -3 12.950 3.128 -0.786 1.00 0.00 C ATOM 0 HA PRO A -3 12.992 4.200 -3.848 1.00 0.00 H new ATOM 0 HB2 PRO A -3 13.589 1.553 -3.657 1.00 0.00 H new ATOM 0 HB3 PRO A -3 14.699 2.733 -2.986 1.00 0.00 H new ATOM 0 HG2 PRO A -3 12.557 1.112 -1.515 1.00 0.00 H new ATOM 0 HG3 PRO A -3 14.223 1.377 -1.041 1.00 0.00 H new ATOM 0 HD2 PRO A -3 12.201 2.920 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A -3 13.804 3.580 -0.281 1.00 0.00 H new ATOM 24 N MET A -2 11.410 2.537 -5.047 1.00 0.00 N ATOM 25 CA MET A -2 10.279 1.968 -5.806 1.00 0.00 C ATOM 26 C MET A -2 9.905 0.527 -5.394 1.00 0.00 C ATOM 27 O MET A -2 8.857 0.025 -5.812 1.00 0.00 O ATOM 28 CB MET A -2 10.599 2.015 -7.311 1.00 0.00 C ATOM 29 CG MET A -2 10.679 3.444 -7.856 1.00 0.00 C ATOM 30 SD MET A -2 11.115 3.559 -9.615 1.00 0.00 S ATOM 31 CE MET A -2 9.625 2.848 -10.363 1.00 0.00 C ATOM 0 H MET A -2 12.262 2.625 -5.602 1.00 0.00 H new ATOM 0 HA MET A -2 9.409 2.582 -5.572 1.00 0.00 H new ATOM 0 HB2 MET A -2 11.547 1.508 -7.492 1.00 0.00 H new ATOM 0 HB3 MET A -2 9.834 1.465 -7.858 1.00 0.00 H new ATOM 0 HG2 MET A -2 9.717 3.932 -7.701 1.00 0.00 H new ATOM 0 HG3 MET A -2 11.416 4.000 -7.276 1.00 0.00 H new ATOM 0 HE1 MET A -2 9.649 3.004 -11.441 1.00 0.00 H new ATOM 0 HE2 MET A -2 9.586 1.779 -10.152 1.00 0.00 H new ATOM 0 HE3 MET A -2 8.742 3.332 -9.946 1.00 0.00 H new ATOM 41 N GLY A -1 10.753 -0.147 -4.605 1.00 0.00 N ATOM 42 CA GLY A -1 10.554 -1.532 -4.139 1.00 0.00 C ATOM 43 C GLY A -1 11.001 -2.602 -5.145 1.00 0.00 C ATOM 44 O GLY A -1 10.704 -3.779 -4.950 1.00 0.00 O ATOM 0 H GLY A -1 11.621 0.265 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A -1 11.102 -1.673 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.498 -1.680 -3.913 1.00 0.00 H new ATOM 48 N MET A 755 11.713 -2.221 -6.217 1.00 0.00 N ATOM 49 CA MET A 755 12.150 -3.118 -7.303 1.00 0.00 C ATOM 50 C MET A 755 13.325 -4.036 -6.910 1.00 0.00 C ATOM 51 O MET A 755 13.566 -5.044 -7.581 1.00 0.00 O ATOM 52 CB MET A 755 12.502 -2.284 -8.546 1.00 0.00 C ATOM 53 CG MET A 755 11.318 -1.480 -9.111 1.00 0.00 C ATOM 54 SD MET A 755 9.931 -2.459 -9.764 1.00 0.00 S ATOM 55 CE MET A 755 8.811 -2.424 -8.347 1.00 0.00 C ATOM 0 H MET A 755 12.010 -1.255 -6.358 1.00 0.00 H new ATOM 0 HA MET A 755 11.316 -3.785 -7.523 1.00 0.00 H new ATOM 0 HB2 MET A 755 13.309 -1.596 -8.294 1.00 0.00 H new ATOM 0 HB3 MET A 755 12.881 -2.949 -9.322 1.00 0.00 H new ATOM 0 HG2 MET A 755 10.938 -0.828 -8.324 1.00 0.00 H new ATOM 0 HG3 MET A 755 11.689 -0.835 -9.908 1.00 0.00 H new ATOM 0 HE1 MET A 755 8.371 -3.411 -8.207 1.00 0.00 H new ATOM 0 HE2 MET A 755 9.366 -2.143 -7.452 1.00 0.00 H new ATOM 0 HE3 MET A 755 8.020 -1.696 -8.527 1.00 0.00 H new ATOM 65 N GLN A 756 14.058 -3.705 -5.841 1.00 0.00 N ATOM 66 CA GLN A 756 15.217 -4.478 -5.367 1.00 0.00 C ATOM 67 C GLN A 756 14.785 -5.790 -4.677 1.00 0.00 C ATOM 68 O GLN A 756 15.378 -6.843 -4.919 1.00 0.00 O ATOM 69 CB GLN A 756 16.020 -3.604 -4.394 1.00 0.00 C ATOM 70 CG GLN A 756 17.354 -4.239 -3.966 1.00 0.00 C ATOM 71 CD GLN A 756 17.989 -3.469 -2.806 1.00 0.00 C ATOM 72 OE1 GLN A 756 18.841 -2.603 -2.974 1.00 0.00 O ATOM 73 NE2 GLN A 756 17.589 -3.750 -1.582 1.00 0.00 N ATOM 0 H GLN A 756 13.862 -2.882 -5.271 1.00 0.00 H new ATOM 0 HA GLN A 756 15.831 -4.755 -6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 756 16.218 -2.639 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 756 15.416 -3.411 -3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 756 17.188 -5.275 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 756 18.040 -4.256 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 756 16.881 -4.468 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 756 17.987 -3.249 -0.788 1.00 0.00 H new ATOM 82 N SER A 757 13.755 -5.736 -3.825 1.00 0.00 N ATOM 83 CA SER A 757 13.348 -6.845 -2.949 1.00 0.00 C ATOM 84 C SER A 757 11.815 -6.904 -2.802 1.00 0.00 C ATOM 85 O SER A 757 11.181 -5.902 -2.451 1.00 0.00 O ATOM 86 CB SER A 757 13.973 -6.686 -1.546 1.00 0.00 C ATOM 87 OG SER A 757 15.400 -6.626 -1.568 1.00 0.00 O ATOM 0 H SER A 757 13.170 -4.907 -3.722 1.00 0.00 H new ATOM 0 HA SER A 757 13.701 -7.768 -3.409 1.00 0.00 H new ATOM 0 HB2 SER A 757 13.585 -5.778 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 757 13.661 -7.522 -0.920 1.00 0.00 H new ATOM 0 HG SER A 757 15.737 -6.524 -0.654 1.00 0.00 H new ATOM 93 N ILE A 758 11.214 -8.077 -3.041 1.00 0.00 N ATOM 94 CA ILE A 758 9.760 -8.310 -2.946 1.00 0.00 C ATOM 95 C ILE A 758 9.513 -9.562 -2.085 1.00 0.00 C ATOM 96 O ILE A 758 10.240 -10.551 -2.183 1.00 0.00 O ATOM 97 CB ILE A 758 9.093 -8.446 -4.350 1.00 0.00 C ATOM 98 CG1 ILE A 758 9.464 -7.318 -5.357 1.00 0.00 C ATOM 99 CG2 ILE A 758 7.559 -8.437 -4.196 1.00 0.00 C ATOM 100 CD1 ILE A 758 10.737 -7.571 -6.180 1.00 0.00 C ATOM 0 H ILE A 758 11.734 -8.912 -3.312 1.00 0.00 H new ATOM 0 HA ILE A 758 9.296 -7.444 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 758 9.471 -9.385 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 758 8.629 -7.176 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 758 9.586 -6.386 -4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 758 7.094 -8.532 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 758 7.252 -9.272 -3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 758 7.245 -7.500 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 758 10.910 -6.729 -6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 758 11.589 -7.681 -5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 758 10.617 -8.483 -6.765 1.00 0.00 H new ATOM 112 N ARG A 759 8.462 -9.528 -1.254 1.00 0.00 N ATOM 113 CA ARG A 759 8.087 -10.589 -0.302 1.00 0.00 C ATOM 114 C ARG A 759 7.317 -11.778 -0.926 1.00 0.00 C ATOM 115 O ARG A 759 6.704 -12.573 -0.213 1.00 0.00 O ATOM 116 CB ARG A 759 7.361 -9.940 0.889 1.00 0.00 C ATOM 117 CG ARG A 759 5.916 -9.497 0.567 1.00 0.00 C ATOM 118 CD ARG A 759 5.408 -8.348 1.451 1.00 0.00 C ATOM 119 NE ARG A 759 5.246 -8.735 2.863 1.00 0.00 N ATOM 120 CZ ARG A 759 4.109 -9.063 3.474 1.00 0.00 C ATOM 121 NH1 ARG A 759 2.978 -9.221 2.822 1.00 0.00 N ATOM 122 NH2 ARG A 759 4.103 -9.237 4.781 1.00 0.00 N ATOM 0 H ARG A 759 7.825 -8.732 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 759 9.001 -11.067 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.339 -10.646 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 759 7.932 -9.073 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.864 -9.189 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 759 5.250 -10.352 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 759 6.105 -7.512 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 759 4.452 -7.996 1.065 1.00 0.00 H new ATOM 0 HE ARG A 759 6.092 -8.754 3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 759 2.950 -9.092 1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.129 -9.473 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 759 4.964 -9.120 5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 759 3.237 -9.488 5.258 1.00 0.00 H new ATOM 136 N GLU A 760 7.359 -11.895 -2.251 1.00 0.00 N ATOM 137 CA GLU A 760 6.906 -13.016 -3.073 1.00 0.00 C ATOM 138 C GLU A 760 7.906 -13.175 -4.234 1.00 0.00 C ATOM 139 O GLU A 760 8.531 -12.197 -4.653 1.00 0.00 O ATOM 140 CB GLU A 760 5.467 -12.811 -3.582 1.00 0.00 C ATOM 141 CG GLU A 760 5.151 -11.425 -4.155 1.00 0.00 C ATOM 142 CD GLU A 760 3.778 -11.401 -4.833 1.00 0.00 C ATOM 143 OE1 GLU A 760 2.806 -11.987 -4.306 1.00 0.00 O ATOM 144 OE2 GLU A 760 3.656 -10.822 -5.938 1.00 0.00 O ATOM 0 H GLU A 760 7.743 -11.145 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 760 6.878 -13.927 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 760 5.265 -13.556 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 760 4.780 -13.008 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 760 5.177 -10.684 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 760 5.919 -11.143 -4.875 1.00 0.00 H new ATOM 151 N GLN A 761 8.112 -14.407 -4.711 1.00 0.00 N ATOM 152 CA GLN A 761 9.349 -14.777 -5.411 1.00 0.00 C ATOM 153 C GLN A 761 9.163 -15.892 -6.456 1.00 0.00 C ATOM 154 O GLN A 761 8.317 -16.774 -6.320 1.00 0.00 O ATOM 155 CB GLN A 761 10.419 -15.159 -4.363 1.00 0.00 C ATOM 156 CG GLN A 761 10.040 -16.380 -3.506 1.00 0.00 C ATOM 157 CD GLN A 761 11.065 -16.650 -2.405 1.00 0.00 C ATOM 158 OE1 GLN A 761 11.944 -17.496 -2.529 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.002 -15.955 -1.284 1.00 0.00 N ATOM 0 H GLN A 761 7.437 -15.167 -4.625 1.00 0.00 H new ATOM 0 HA GLN A 761 9.675 -13.910 -5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.359 -15.364 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.593 -14.306 -3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.060 -16.217 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 761 9.955 -17.259 -4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.278 -15.247 -1.163 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.678 -16.126 -0.539 1.00 0.00 H new ATOM 168 N SER A 762 9.982 -15.865 -7.504 1.00 0.00 N ATOM 169 CA SER A 762 9.947 -16.845 -8.601 1.00 0.00 C ATOM 170 C SER A 762 10.628 -18.178 -8.231 1.00 0.00 C ATOM 171 O SER A 762 11.736 -18.194 -7.685 1.00 0.00 O ATOM 172 CB SER A 762 10.627 -16.263 -9.855 1.00 0.00 C ATOM 173 OG SER A 762 10.104 -14.991 -10.209 1.00 0.00 O ATOM 0 H SER A 762 10.702 -15.153 -7.623 1.00 0.00 H new ATOM 0 HA SER A 762 8.896 -17.053 -8.800 1.00 0.00 H new ATOM 0 HB2 SER A 762 11.699 -16.176 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.497 -16.952 -10.689 1.00 0.00 H new ATOM 0 HG SER A 762 10.564 -14.659 -11.008 1.00 0.00 H new ATOM 179 N CYS A 763 9.981 -19.299 -8.568 1.00 0.00 N ATOM 180 CA CYS A 763 10.495 -20.677 -8.450 1.00 0.00 C ATOM 181 C CYS A 763 10.040 -21.525 -9.650 1.00 0.00 C ATOM 182 O CYS A 763 9.122 -21.134 -10.377 1.00 0.00 O ATOM 183 CB CYS A 763 9.990 -21.291 -7.129 1.00 0.00 C ATOM 184 SG CYS A 763 10.985 -20.677 -5.739 1.00 0.00 S ATOM 0 H CYS A 763 9.036 -19.273 -8.951 1.00 0.00 H new ATOM 0 HA CYS A 763 11.585 -20.660 -8.446 1.00 0.00 H new ATOM 0 HB2 CYS A 763 8.941 -21.036 -6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 763 10.050 -22.378 -7.177 1.00 0.00 H new ATOM 0 HG CYS A 763 11.559 -19.560 -6.076 1.00 0.00 H new ATOM 190 N ARG A 764 10.630 -22.712 -9.838 1.00 0.00 N ATOM 191 CA ARG A 764 10.085 -23.699 -10.782 1.00 0.00 C ATOM 192 C ARG A 764 8.815 -24.344 -10.199 1.00 0.00 C ATOM 193 O ARG A 764 8.730 -24.621 -8.997 1.00 0.00 O ATOM 194 CB ARG A 764 11.139 -24.726 -11.227 1.00 0.00 C ATOM 195 CG ARG A 764 10.836 -25.203 -12.661 1.00 0.00 C ATOM 196 CD ARG A 764 11.830 -26.251 -13.145 1.00 0.00 C ATOM 197 NE ARG A 764 11.619 -26.562 -14.570 1.00 0.00 N ATOM 198 CZ ARG A 764 12.024 -27.655 -15.206 1.00 0.00 C ATOM 199 NH1 ARG A 764 12.661 -28.628 -14.586 1.00 0.00 N ATOM 200 NH2 ARG A 764 11.787 -27.793 -16.493 1.00 0.00 N ATOM 0 H ARG A 764 11.477 -23.012 -9.355 1.00 0.00 H new ATOM 0 HA ARG A 764 9.796 -23.179 -11.696 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.133 -24.281 -11.185 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.141 -25.576 -10.545 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.828 -25.617 -12.698 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.855 -24.348 -13.337 1.00 0.00 H new ATOM 0 HD2 ARG A 764 12.847 -25.889 -12.995 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.724 -27.159 -12.552 1.00 0.00 H new ATOM 0 HE ARG A 764 11.112 -25.870 -15.122 1.00 0.00 H new ATOM 0 HH11 ARG A 764 12.857 -28.555 -13.588 1.00 0.00 H new ATOM 0 HH12 ARG A 764 12.958 -29.454 -15.105 1.00 0.00 H new ATOM 0 HH21 ARG A 764 11.292 -27.060 -17.002 1.00 0.00 H new ATOM 0 HH22 ARG A 764 12.098 -28.633 -16.982 1.00 0.00 H new ATOM 214 N VAL A 765 7.819 -24.541 -11.049 1.00 0.00 N ATOM 215 CA VAL A 765 6.442 -24.972 -10.765 1.00 0.00 C ATOM 216 C VAL A 765 6.000 -26.010 -11.806 1.00 0.00 C ATOM 217 O VAL A 765 6.682 -26.217 -12.809 1.00 0.00 O ATOM 218 CB VAL A 765 5.472 -23.761 -10.738 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.784 -22.812 -9.578 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.473 -22.965 -12.051 1.00 0.00 C ATOM 0 H VAL A 765 7.958 -24.392 -12.048 1.00 0.00 H new ATOM 0 HA VAL A 765 6.415 -25.432 -9.777 1.00 0.00 H new ATOM 0 HB VAL A 765 4.479 -24.189 -10.601 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.084 -21.977 -9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.689 -23.348 -8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.801 -22.434 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.776 -22.131 -11.971 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.475 -22.583 -12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.169 -23.615 -12.871 1.00 0.00 H new ATOM 230 N VAL A 766 4.868 -26.668 -11.561 1.00 0.00 N ATOM 231 CA VAL A 766 4.376 -27.818 -12.345 1.00 0.00 C ATOM 232 C VAL A 766 2.870 -27.719 -12.602 1.00 0.00 C ATOM 233 O VAL A 766 2.115 -27.308 -11.716 1.00 0.00 O ATOM 234 CB VAL A 766 4.748 -29.146 -11.642 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.098 -29.314 -10.263 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.418 -30.382 -12.486 1.00 0.00 C ATOM 0 H VAL A 766 4.246 -26.416 -10.793 1.00 0.00 H new ATOM 0 HA VAL A 766 4.865 -27.801 -13.319 1.00 0.00 H new ATOM 0 HB VAL A 766 5.828 -29.075 -11.512 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.404 -30.267 -9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.415 -28.501 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.013 -29.294 -10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.702 -31.282 -11.940 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.348 -30.406 -12.694 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.969 -30.339 -13.425 1.00 0.00 H new ATOM 246 N THR A 767 2.434 -28.122 -13.803 1.00 0.00 N ATOM 247 CA THR A 767 1.026 -28.346 -14.158 1.00 0.00 C ATOM 248 C THR A 767 0.821 -29.835 -14.410 1.00 0.00 C ATOM 249 O THR A 767 1.404 -30.368 -15.356 1.00 0.00 O ATOM 250 CB THR A 767 0.642 -27.548 -15.415 1.00 0.00 C ATOM 251 OG1 THR A 767 0.830 -26.172 -15.163 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.824 -27.725 -15.808 1.00 0.00 C ATOM 0 H THR A 767 3.071 -28.307 -14.578 1.00 0.00 H new ATOM 0 HA THR A 767 0.391 -28.008 -13.339 1.00 0.00 H new ATOM 0 HB THR A 767 1.272 -27.920 -16.223 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.589 -25.657 -15.961 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.035 -27.138 -16.702 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.022 -28.778 -16.010 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.463 -27.386 -14.992 1.00 0.00 H new ATOM 260 N CYS A 768 -0.016 -30.495 -13.602 1.00 0.00 N ATOM 261 CA CYS A 768 -0.513 -31.844 -13.888 1.00 0.00 C ATOM 262 C CYS A 768 -1.609 -31.748 -14.959 1.00 0.00 C ATOM 263 O CYS A 768 -2.630 -31.081 -14.773 1.00 0.00 O ATOM 264 CB CYS A 768 -1.008 -32.524 -12.598 1.00 0.00 C ATOM 265 SG CYS A 768 -1.495 -34.260 -12.935 1.00 0.00 S ATOM 0 H CYS A 768 -0.369 -30.106 -12.728 1.00 0.00 H new ATOM 0 HA CYS A 768 0.291 -32.469 -14.275 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.223 -32.500 -11.843 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.857 -31.974 -12.192 1.00 0.00 H new ATOM 270 N LYS A 769 -1.406 -32.406 -16.101 1.00 0.00 N ATOM 271 CA LYS A 769 -2.367 -32.459 -17.206 1.00 0.00 C ATOM 272 C LYS A 769 -3.511 -33.460 -16.950 1.00 0.00 C ATOM 273 O LYS A 769 -4.581 -33.328 -17.555 1.00 0.00 O ATOM 274 CB LYS A 769 -1.616 -32.788 -18.514 1.00 0.00 C ATOM 275 CG LYS A 769 -0.535 -31.768 -18.917 1.00 0.00 C ATOM 276 CD LYS A 769 -1.095 -30.345 -19.115 1.00 0.00 C ATOM 277 CE LYS A 769 -0.048 -29.375 -19.671 1.00 0.00 C ATOM 278 NZ LYS A 769 0.310 -29.658 -21.087 1.00 0.00 N ATOM 0 H LYS A 769 -0.550 -32.929 -16.289 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.841 -31.481 -17.292 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.150 -33.768 -18.411 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.342 -32.864 -19.323 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.239 -31.745 -18.150 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -0.059 -32.097 -19.841 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.946 -30.384 -19.795 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -1.465 -29.968 -18.162 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -0.427 -28.356 -19.594 1.00 0.00 H new ATOM 0 HE3 LYS A 769 0.851 -29.428 -19.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 1.009 -28.961 -21.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 0.715 -30.613 -21.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.543 -29.598 -21.679 1.00 0.00 H new ATOM 292 N THR A 770 -3.307 -34.431 -16.048 1.00 0.00 N ATOM 293 CA THR A 770 -4.310 -35.444 -15.672 1.00 0.00 C ATOM 294 C THR A 770 -5.366 -34.854 -14.734 1.00 0.00 C ATOM 295 O THR A 770 -6.553 -35.072 -14.982 1.00 0.00 O ATOM 296 CB THR A 770 -3.618 -36.671 -15.061 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.617 -37.137 -15.950 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.591 -37.828 -14.812 1.00 0.00 C ATOM 0 H THR A 770 -2.424 -34.538 -15.549 1.00 0.00 H new ATOM 0 HA THR A 770 -4.834 -35.769 -16.570 1.00 0.00 H new ATOM 0 HB THR A 770 -3.198 -36.356 -14.106 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.173 -37.919 -15.561 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.051 -38.671 -14.380 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.372 -37.505 -14.123 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.043 -38.133 -15.756 1.00 0.00 H new ATOM 306 N CYS A 771 -4.969 -34.062 -13.725 1.00 0.00 N ATOM 307 CA CYS A 771 -5.871 -33.447 -12.736 1.00 0.00 C ATOM 308 C CYS A 771 -6.204 -31.962 -13.017 1.00 0.00 C ATOM 309 O CYS A 771 -7.170 -31.427 -12.465 1.00 0.00 O ATOM 310 CB CYS A 771 -5.221 -33.566 -11.348 1.00 0.00 C ATOM 311 SG CYS A 771 -4.857 -35.300 -10.877 1.00 0.00 S ATOM 0 H CYS A 771 -3.989 -33.826 -13.570 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.818 -33.984 -12.794 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.296 -32.989 -11.335 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.883 -33.124 -10.603 1.00 0.00 H new ATOM 316 N LYS A 772 -5.400 -31.300 -13.862 1.00 0.00 N ATOM 317 CA LYS A 772 -5.547 -29.910 -14.338 1.00 0.00 C ATOM 318 C LYS A 772 -5.222 -28.846 -13.254 1.00 0.00 C ATOM 319 O LYS A 772 -5.667 -27.697 -13.350 1.00 0.00 O ATOM 320 CB LYS A 772 -6.898 -29.682 -15.061 1.00 0.00 C ATOM 321 CG LYS A 772 -7.107 -30.514 -16.345 1.00 0.00 C ATOM 322 CD LYS A 772 -7.629 -31.940 -16.110 1.00 0.00 C ATOM 323 CE LYS A 772 -7.876 -32.672 -17.434 1.00 0.00 C ATOM 324 NZ LYS A 772 -8.332 -34.063 -17.196 1.00 0.00 N ATOM 0 H LYS A 772 -4.574 -31.748 -14.259 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.777 -29.761 -15.095 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.706 -29.908 -14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -6.982 -28.625 -15.315 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.808 -29.987 -16.992 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.160 -30.572 -16.882 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -6.908 -32.499 -15.513 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.555 -31.900 -15.537 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -8.625 -32.135 -18.016 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -6.960 -32.682 -18.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -8.202 -34.624 -18.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -7.776 -34.483 -16.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -9.339 -34.058 -16.935 1.00 0.00 H new ATOM 338 N TYR A 773 -4.441 -29.203 -12.222 1.00 0.00 N ATOM 339 CA TYR A 773 -3.930 -28.250 -11.213 1.00 0.00 C ATOM 340 C TYR A 773 -2.593 -27.612 -11.621 1.00 0.00 C ATOM 341 O TYR A 773 -1.877 -28.136 -12.481 1.00 0.00 O ATOM 342 CB TYR A 773 -3.819 -28.909 -9.823 1.00 0.00 C ATOM 343 CG TYR A 773 -2.792 -30.020 -9.636 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.419 -29.724 -9.566 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.217 -31.342 -9.431 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.481 -30.736 -9.294 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.292 -32.350 -9.104 1.00 0.00 C ATOM 348 CZ TYR A 773 -0.911 -32.057 -9.047 1.00 0.00 C ATOM 349 OH TYR A 773 0.001 -33.024 -8.755 1.00 0.00 O ATOM 0 H TYR A 773 -4.143 -30.165 -12.060 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.662 -27.444 -11.156 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.598 -28.125 -9.099 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -4.798 -29.313 -9.566 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.082 -28.710 -9.723 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.264 -31.588 -9.525 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.573 -30.501 -9.274 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.639 -33.351 -8.896 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.440 -33.899 -8.753 1.00 0.00 H new ATOM 359 N THR A 774 -2.218 -26.530 -10.925 1.00 0.00 N ATOM 360 CA THR A 774 -0.880 -25.913 -10.965 1.00 0.00 C ATOM 361 C THR A 774 -0.340 -25.871 -9.535 1.00 0.00 C ATOM 362 O THR A 774 -1.079 -25.542 -8.606 1.00 0.00 O ATOM 363 CB THR A 774 -0.930 -24.506 -11.573 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.768 -24.492 -12.715 1.00 0.00 O ATOM 365 CG2 THR A 774 0.461 -24.054 -12.023 1.00 0.00 C ATOM 0 H THR A 774 -2.857 -26.042 -10.297 1.00 0.00 H new ATOM 0 HA THR A 774 -0.221 -26.504 -11.600 1.00 0.00 H new ATOM 0 HB THR A 774 -1.313 -23.836 -10.803 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.792 -23.588 -13.092 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.398 -23.053 -12.450 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.134 -24.041 -11.166 1.00 0.00 H new ATOM 0 HG23 THR A 774 0.843 -24.746 -12.774 1.00 0.00 H new ATOM 373 N HIS A 775 0.926 -26.229 -9.347 1.00 0.00 N ATOM 374 CA HIS A 775 1.543 -26.444 -8.035 1.00 0.00 C ATOM 375 C HIS A 775 3.073 -26.248 -8.068 1.00 0.00 C ATOM 376 O HIS A 775 3.659 -26.087 -9.140 1.00 0.00 O ATOM 377 CB HIS A 775 1.179 -27.867 -7.564 1.00 0.00 C ATOM 378 CG HIS A 775 0.984 -27.992 -6.079 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.717 -28.766 -5.208 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.050 -27.442 -5.368 1.00 0.00 C ATOM 381 CE1 HIS A 775 1.162 -28.646 -3.988 1.00 0.00 C ATOM 382 NE2 HIS A 775 0.082 -27.838 -4.030 1.00 0.00 N ATOM 0 H HIS A 775 1.572 -26.383 -10.121 1.00 0.00 H new ATOM 0 HA HIS A 775 1.160 -25.701 -7.335 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.265 -28.182 -8.067 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.967 -28.553 -7.875 1.00 0.00 H new ATOM 0 HD1 HIS A 775 2.534 -29.329 -5.445 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -0.831 -26.813 -5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 775 1.531 -29.131 -3.096 1.00 0.00 H new ATOM 390 N PHE A 776 3.735 -26.305 -6.911 1.00 0.00 N ATOM 391 CA PHE A 776 5.202 -26.204 -6.799 1.00 0.00 C ATOM 392 C PHE A 776 5.910 -27.515 -7.191 1.00 0.00 C ATOM 393 O PHE A 776 7.055 -27.503 -7.648 1.00 0.00 O ATOM 394 CB PHE A 776 5.571 -25.822 -5.351 1.00 0.00 C ATOM 395 CG PHE A 776 4.633 -24.801 -4.735 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.705 -23.453 -5.130 1.00 0.00 C ATOM 397 CD2 PHE A 776 3.620 -25.230 -3.861 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.752 -22.537 -4.653 1.00 0.00 C ATOM 399 CE2 PHE A 776 2.665 -24.318 -3.393 1.00 0.00 C ATOM 400 CZ PHE A 776 2.727 -22.976 -3.800 1.00 0.00 C ATOM 0 H PHE A 776 3.268 -26.424 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 776 5.540 -25.436 -7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 776 5.571 -26.721 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.586 -25.426 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.489 -23.124 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 776 3.578 -26.263 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 776 3.808 -21.498 -4.942 1.00 0.00 H new ATOM 0 HE2 PHE A 776 1.885 -24.646 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 776 1.981 -22.276 -3.454 1.00 0.00 H new ATOM 410 N LYS A 777 5.206 -28.639 -7.015 1.00 0.00 N ATOM 411 CA LYS A 777 5.663 -30.021 -7.212 1.00 0.00 C ATOM 412 C LYS A 777 4.458 -30.997 -7.257 1.00 0.00 C ATOM 413 O LYS A 777 3.421 -30.675 -6.653 1.00 0.00 O ATOM 414 CB LYS A 777 6.668 -30.392 -6.103 1.00 0.00 C ATOM 415 CG LYS A 777 6.059 -30.372 -4.692 1.00 0.00 C ATOM 416 CD LYS A 777 7.167 -30.559 -3.653 1.00 0.00 C ATOM 417 CE LYS A 777 6.570 -30.564 -2.243 1.00 0.00 C ATOM 418 NZ LYS A 777 7.622 -30.735 -1.206 1.00 0.00 N ATOM 0 H LYS A 777 4.233 -28.605 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 777 6.171 -30.104 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.068 -31.386 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.508 -29.698 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.542 -29.428 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 777 5.317 -31.164 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.694 -31.495 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 777 7.900 -29.757 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 777 6.035 -29.630 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 777 5.840 -31.369 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 7.183 -30.734 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 8.115 -31.638 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 8.304 -29.953 -1.271 1.00 0.00 H new ATOM 432 N PRO A 778 4.559 -32.146 -7.959 1.00 0.00 N ATOM 433 CA PRO A 778 3.451 -33.089 -8.086 1.00 0.00 C ATOM 434 C PRO A 778 3.253 -33.867 -6.777 1.00 0.00 C ATOM 435 O PRO A 778 4.184 -34.042 -5.990 1.00 0.00 O ATOM 436 CB PRO A 778 3.830 -33.998 -9.261 1.00 0.00 C ATOM 437 CG PRO A 778 5.355 -34.025 -9.194 1.00 0.00 C ATOM 438 CD PRO A 778 5.699 -32.608 -8.741 1.00 0.00 C ATOM 0 HA PRO A 778 2.498 -32.595 -8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.403 -34.995 -9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.474 -33.599 -10.211 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.716 -34.774 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 778 5.798 -34.259 -10.162 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.610 -32.600 -8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 778 5.874 -31.957 -9.597 1.00 0.00 H new ATOM 446 N LYS A 779 2.029 -34.355 -6.555 1.00 0.00 N ATOM 447 CA LYS A 779 1.698 -35.173 -5.387 1.00 0.00 C ATOM 448 C LYS A 779 2.357 -36.566 -5.440 1.00 0.00 C ATOM 449 O LYS A 779 2.676 -37.105 -6.504 1.00 0.00 O ATOM 450 CB LYS A 779 0.177 -35.331 -5.260 1.00 0.00 C ATOM 451 CG LYS A 779 -0.528 -34.009 -4.940 1.00 0.00 C ATOM 452 CD LYS A 779 -2.016 -34.176 -4.583 1.00 0.00 C ATOM 453 CE LYS A 779 -2.975 -34.459 -5.753 1.00 0.00 C ATOM 454 NZ LYS A 779 -2.799 -35.806 -6.362 1.00 0.00 N ATOM 0 H LYS A 779 1.240 -34.193 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 779 2.091 -34.652 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 779 -0.222 -35.735 -6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 779 -0.045 -36.056 -4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 779 -0.015 -33.525 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 779 -0.441 -33.343 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -2.105 -34.990 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -2.350 -33.269 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -4.002 -34.361 -5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.828 -33.701 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -3.731 -36.230 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -2.280 -35.716 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -2.263 -36.414 -5.711 1.00 0.00 H new ATOM 468 N GLU A 780 2.462 -37.205 -4.276 1.00 0.00 N ATOM 469 CA GLU A 780 2.919 -38.593 -4.136 1.00 0.00 C ATOM 470 C GLU A 780 2.028 -39.554 -4.942 1.00 0.00 C ATOM 471 O GLU A 780 2.544 -40.457 -5.604 1.00 0.00 O ATOM 472 CB GLU A 780 2.950 -39.007 -2.653 1.00 0.00 C ATOM 473 CG GLU A 780 4.012 -38.277 -1.799 1.00 0.00 C ATOM 474 CD GLU A 780 3.725 -36.801 -1.487 1.00 0.00 C ATOM 475 OE1 GLU A 780 2.560 -36.342 -1.599 1.00 0.00 O ATOM 476 OE2 GLU A 780 4.676 -36.070 -1.115 1.00 0.00 O ATOM 0 H GLU A 780 2.228 -36.767 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 780 3.931 -38.654 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 780 1.967 -38.825 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 780 3.131 -40.080 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 780 4.122 -38.813 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 780 4.970 -38.339 -2.315 1.00 0.00 H new ATOM 483 N THR A 781 0.708 -39.311 -4.968 1.00 0.00 N ATOM 484 CA THR A 781 -0.267 -40.047 -5.784 1.00 0.00 C ATOM 485 C THR A 781 -0.116 -39.764 -7.270 1.00 0.00 C ATOM 486 O THR A 781 -0.205 -40.705 -8.055 1.00 0.00 O ATOM 487 CB THR A 781 -1.697 -39.757 -5.316 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.865 -38.381 -5.031 1.00 0.00 O ATOM 489 CG2 THR A 781 -2.011 -40.550 -4.041 1.00 0.00 C ATOM 0 H THR A 781 0.279 -38.576 -4.406 1.00 0.00 H new ATOM 0 HA THR A 781 -0.061 -41.108 -5.643 1.00 0.00 H new ATOM 0 HB THR A 781 -2.371 -40.051 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.728 -38.242 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 781 -3.030 -40.334 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.912 -41.617 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 781 -1.314 -40.263 -3.253 1.00 0.00 H new ATOM 497 N CYS A 782 0.197 -38.527 -7.663 1.00 0.00 N ATOM 498 CA CYS A 782 0.457 -38.165 -9.055 1.00 0.00 C ATOM 499 C CYS A 782 1.731 -38.845 -9.588 1.00 0.00 C ATOM 500 O CYS A 782 1.732 -39.356 -10.707 1.00 0.00 O ATOM 501 CB CYS A 782 0.539 -36.633 -9.176 1.00 0.00 C ATOM 502 SG CYS A 782 -1.103 -35.904 -8.919 1.00 0.00 S ATOM 0 H CYS A 782 0.277 -37.742 -7.016 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.366 -38.523 -9.673 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.241 -36.239 -8.441 1.00 0.00 H new ATOM 0 HB3 CYS A 782 0.919 -36.357 -10.160 1.00 0.00 H new ATOM 507 N VAL A 783 2.795 -38.903 -8.780 1.00 0.00 N ATOM 508 CA VAL A 783 4.039 -39.621 -9.117 1.00 0.00 C ATOM 509 C VAL A 783 3.815 -41.145 -9.117 1.00 0.00 C ATOM 510 O VAL A 783 4.260 -41.830 -10.033 1.00 0.00 O ATOM 511 CB VAL A 783 5.193 -39.210 -8.168 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.473 -40.022 -8.416 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.535 -37.714 -8.360 1.00 0.00 C ATOM 0 H VAL A 783 2.822 -38.451 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 783 4.332 -39.336 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 783 4.843 -39.406 -7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.251 -39.695 -7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.269 -41.081 -8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.809 -39.867 -9.441 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.347 -37.437 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 783 5.842 -37.540 -9.391 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.657 -37.108 -8.136 1.00 0.00 H new ATOM 523 N SER A 784 3.091 -41.684 -8.132 1.00 0.00 N ATOM 524 CA SER A 784 2.841 -43.132 -8.008 1.00 0.00 C ATOM 525 C SER A 784 1.938 -43.690 -9.129 1.00 0.00 C ATOM 526 O SER A 784 2.210 -44.766 -9.677 1.00 0.00 O ATOM 527 CB SER A 784 2.231 -43.435 -6.629 1.00 0.00 C ATOM 528 OG SER A 784 2.105 -44.839 -6.400 1.00 0.00 O ATOM 0 H SER A 784 2.658 -41.130 -7.393 1.00 0.00 H new ATOM 0 HA SER A 784 3.803 -43.634 -8.110 1.00 0.00 H new ATOM 0 HB2 SER A 784 2.855 -42.995 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 784 1.250 -42.965 -6.555 1.00 0.00 H new ATOM 0 HG SER A 784 1.715 -44.992 -5.514 1.00 0.00 H new ATOM 534 N GLU A 785 0.896 -42.954 -9.527 1.00 0.00 N ATOM 535 CA GLU A 785 0.020 -43.294 -10.657 1.00 0.00 C ATOM 536 C GLU A 785 0.624 -42.916 -12.026 1.00 0.00 C ATOM 537 O GLU A 785 0.063 -43.262 -13.067 1.00 0.00 O ATOM 538 CB GLU A 785 -1.345 -42.609 -10.482 1.00 0.00 C ATOM 539 CG GLU A 785 -2.173 -43.149 -9.305 1.00 0.00 C ATOM 540 CD GLU A 785 -3.526 -42.433 -9.163 1.00 0.00 C ATOM 541 OE1 GLU A 785 -4.110 -41.991 -10.182 1.00 0.00 O ATOM 542 OE2 GLU A 785 -4.035 -42.345 -8.019 1.00 0.00 O ATOM 0 H GLU A 785 0.630 -42.085 -9.063 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.097 -44.378 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.187 -41.540 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.919 -42.728 -11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -2.343 -44.217 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -1.605 -43.034 -8.382 1.00 0.00 H new ATOM 549 N ASN A 786 1.760 -42.203 -12.040 1.00 0.00 N ATOM 550 CA ASN A 786 2.477 -41.741 -13.233 1.00 0.00 C ATOM 551 C ASN A 786 1.607 -40.821 -14.122 1.00 0.00 C ATOM 552 O ASN A 786 1.496 -41.025 -15.336 1.00 0.00 O ATOM 553 CB ASN A 786 3.115 -42.927 -13.998 1.00 0.00 C ATOM 554 CG ASN A 786 4.133 -43.705 -13.169 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.305 -43.355 -13.105 1.00 0.00 O ATOM 556 ND2 ASN A 786 3.728 -44.783 -12.522 1.00 0.00 N ATOM 0 H ASN A 786 2.224 -41.920 -11.177 1.00 0.00 H new ATOM 0 HA ASN A 786 3.304 -41.112 -12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.327 -43.606 -14.323 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.602 -42.550 -14.897 1.00 0.00 H new ATOM 0 HD21 ASN A 786 4.392 -45.325 -11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 786 2.752 -45.074 -12.576 1.00 0.00 H new ATOM 563 N HIS A 787 0.977 -39.807 -13.511 1.00 0.00 N ATOM 564 CA HIS A 787 0.270 -38.731 -14.218 1.00 0.00 C ATOM 565 C HIS A 787 1.234 -37.959 -15.132 1.00 0.00 C ATOM 566 O HIS A 787 2.440 -37.902 -14.883 1.00 0.00 O ATOM 567 CB HIS A 787 -0.405 -37.768 -13.212 1.00 0.00 C ATOM 568 CG HIS A 787 -1.590 -38.318 -12.436 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.442 -37.597 -11.599 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.013 -39.627 -12.436 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.348 -38.475 -11.119 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.105 -39.705 -11.603 1.00 0.00 N ATOM 0 H HIS A 787 0.944 -39.711 -12.496 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.505 -39.183 -14.836 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.349 -37.440 -12.496 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.735 -36.883 -13.756 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.570 -40.443 -12.988 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.152 -38.225 -10.443 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.637 -40.549 -11.390 1.00 0.00 H new ATOM 580 N ASP A 788 0.710 -37.352 -16.197 1.00 0.00 N ATOM 581 CA ASP A 788 1.495 -36.495 -17.096 1.00 0.00 C ATOM 582 C ASP A 788 1.554 -35.065 -16.541 1.00 0.00 C ATOM 583 O ASP A 788 0.513 -34.489 -16.221 1.00 0.00 O ATOM 584 CB ASP A 788 0.892 -36.499 -18.509 1.00 0.00 C ATOM 585 CG ASP A 788 1.078 -37.846 -19.223 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.239 -38.181 -19.569 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.065 -38.548 -19.462 1.00 0.00 O ATOM 0 H ASP A 788 -0.271 -37.438 -16.464 1.00 0.00 H new ATOM 0 HA ASP A 788 2.509 -36.890 -17.157 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.171 -36.268 -18.448 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.356 -35.710 -19.101 1.00 0.00 H new ATOM 592 N PHE A 789 2.753 -34.474 -16.456 1.00 0.00 N ATOM 593 CA PHE A 789 2.951 -33.086 -16.017 1.00 0.00 C ATOM 594 C PHE A 789 3.970 -32.325 -16.875 1.00 0.00 C ATOM 595 O PHE A 789 4.908 -32.907 -17.428 1.00 0.00 O ATOM 596 CB PHE A 789 3.327 -32.984 -14.526 1.00 0.00 C ATOM 597 CG PHE A 789 3.720 -34.244 -13.775 1.00 0.00 C ATOM 598 CD1 PHE A 789 5.062 -34.666 -13.744 1.00 0.00 C ATOM 599 CD2 PHE A 789 2.747 -34.938 -13.026 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.436 -35.780 -12.969 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.123 -36.051 -12.255 1.00 0.00 C ATOM 602 CZ PHE A 789 4.464 -36.474 -12.223 1.00 0.00 C ATOM 0 H PHE A 789 3.623 -34.951 -16.693 1.00 0.00 H new ATOM 0 HA PHE A 789 1.982 -32.607 -16.154 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.156 -32.281 -14.444 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.479 -32.541 -14.003 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.807 -34.134 -14.316 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.717 -34.615 -13.045 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.467 -36.102 -12.947 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.378 -36.585 -11.684 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.748 -37.329 -11.628 1.00 0.00 H new ATOM 612 N HIS A 790 3.791 -31.003 -16.941 1.00 0.00 N ATOM 613 CA HIS A 790 4.712 -30.056 -17.580 1.00 0.00 C ATOM 614 C HIS A 790 5.262 -29.061 -16.541 1.00 0.00 C ATOM 615 O HIS A 790 4.493 -28.447 -15.794 1.00 0.00 O ATOM 616 CB HIS A 790 3.986 -29.286 -18.700 1.00 0.00 C ATOM 617 CG HIS A 790 3.680 -30.090 -19.938 1.00 0.00 C ATOM 618 ND1 HIS A 790 3.999 -29.747 -21.233 1.00 0.00 N ATOM 619 CD2 HIS A 790 2.975 -31.263 -20.006 1.00 0.00 C ATOM 620 CE1 HIS A 790 3.503 -30.685 -22.052 1.00 0.00 C ATOM 621 NE2 HIS A 790 2.853 -31.629 -21.354 1.00 0.00 N ATOM 0 H HIS A 790 2.973 -30.546 -16.538 1.00 0.00 H new ATOM 0 HA HIS A 790 5.543 -30.616 -18.009 1.00 0.00 H new ATOM 0 HB2 HIS A 790 3.051 -28.893 -18.301 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.597 -28.429 -18.984 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.580 -31.812 -19.164 1.00 0.00 H new ATOM 0 HE1 HIS A 790 3.612 -30.682 -23.127 1.00 0.00 H new ATOM 0 HE2 HIS A 790 2.369 -32.446 -21.728 1.00 0.00 H new ATOM 629 N TRP A 791 6.586 -28.878 -16.521 1.00 0.00 N ATOM 630 CA TRP A 791 7.292 -27.961 -15.617 1.00 0.00 C ATOM 631 C TRP A 791 7.659 -26.630 -16.301 1.00 0.00 C ATOM 632 O TRP A 791 7.954 -26.589 -17.495 1.00 0.00 O ATOM 633 CB TRP A 791 8.546 -28.648 -15.060 1.00 0.00 C ATOM 634 CG TRP A 791 8.313 -29.763 -14.084 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.011 -31.043 -14.399 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.423 -29.727 -12.629 1.00 0.00 C ATOM 637 NE1 TRP A 791 7.934 -31.802 -13.246 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.191 -31.041 -12.125 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.701 -28.715 -11.677 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.257 -31.345 -10.754 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.753 -29.003 -10.302 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.542 -30.315 -9.838 1.00 0.00 C ATOM 0 H TRP A 791 7.215 -29.377 -17.150 1.00 0.00 H new ATOM 0 HA TRP A 791 6.616 -27.716 -14.798 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.122 -29.041 -15.898 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.164 -27.892 -14.575 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.854 -31.416 -15.400 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.715 -32.798 -13.227 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.876 -27.704 -12.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.091 -32.355 -10.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.956 -28.211 -9.596 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.599 -30.531 -8.781 1.00 0.00 H new ATOM 653 N HIS A 792 7.699 -25.543 -15.521 1.00 0.00 N ATOM 654 CA HIS A 792 7.971 -24.166 -15.955 1.00 0.00 C ATOM 655 C HIS A 792 8.249 -23.255 -14.738 1.00 0.00 C ATOM 656 O HIS A 792 8.216 -23.729 -13.606 1.00 0.00 O ATOM 657 CB HIS A 792 6.788 -23.636 -16.799 1.00 0.00 C ATOM 658 CG HIS A 792 5.486 -23.494 -16.040 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.895 -22.316 -15.648 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.650 -24.510 -15.650 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.735 -22.613 -15.042 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.538 -23.942 -15.016 1.00 0.00 N ATOM 0 H HIS A 792 7.534 -25.603 -14.516 1.00 0.00 H new ATOM 0 HA HIS A 792 8.865 -24.160 -16.579 1.00 0.00 H new ATOM 0 HB2 HIS A 792 7.060 -22.665 -17.212 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.630 -24.309 -17.642 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.820 -25.565 -15.805 1.00 0.00 H new ATOM 0 HE1 HIS A 792 3.053 -21.883 -14.631 1.00 0.00 H new ATOM 0 HE2 HIS A 792 2.741 -24.437 -14.616 1.00 0.00 H new ATOM 670 N ASN A 793 8.519 -21.963 -14.930 1.00 0.00 N ATOM 671 CA ASN A 793 8.714 -21.002 -13.824 1.00 0.00 C ATOM 672 C ASN A 793 7.414 -20.229 -13.481 1.00 0.00 C ATOM 673 O ASN A 793 6.595 -19.958 -14.366 1.00 0.00 O ATOM 674 CB ASN A 793 9.863 -20.047 -14.197 1.00 0.00 C ATOM 675 CG ASN A 793 10.364 -19.251 -13.000 1.00 0.00 C ATOM 676 OD1 ASN A 793 9.825 -18.204 -12.659 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.396 -19.721 -12.317 1.00 0.00 N ATOM 0 H ASN A 793 8.610 -21.545 -15.856 1.00 0.00 H new ATOM 0 HA ASN A 793 8.977 -21.552 -12.921 1.00 0.00 H new ATOM 0 HB2 ASN A 793 10.687 -20.622 -14.619 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.524 -19.359 -14.972 1.00 0.00 H new ATOM 0 HD21 ASN A 793 11.745 -19.212 -11.505 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.843 -20.592 -12.603 1.00 0.00 H new ATOM 684 N GLY A 794 7.225 -19.865 -12.204 1.00 0.00 N ATOM 685 CA GLY A 794 6.107 -19.050 -11.697 1.00 0.00 C ATOM 686 C GLY A 794 6.382 -18.422 -10.323 1.00 0.00 C ATOM 687 O GLY A 794 7.302 -18.846 -9.630 1.00 0.00 O ATOM 0 H GLY A 794 7.872 -20.141 -11.465 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.891 -18.257 -12.413 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.214 -19.672 -11.631 1.00 0.00 H new ATOM 691 N VAL A 795 5.599 -17.413 -9.925 1.00 0.00 N ATOM 692 CA VAL A 795 5.762 -16.712 -8.634 1.00 0.00 C ATOM 693 C VAL A 795 4.850 -17.309 -7.560 1.00 0.00 C ATOM 694 O VAL A 795 3.650 -17.492 -7.769 1.00 0.00 O ATOM 695 CB VAL A 795 5.508 -15.190 -8.746 1.00 0.00 C ATOM 696 CG1 VAL A 795 5.543 -14.479 -7.379 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.575 -14.542 -9.646 1.00 0.00 C ATOM 0 H VAL A 795 4.828 -17.053 -10.488 1.00 0.00 H new ATOM 0 HA VAL A 795 6.803 -16.855 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 795 4.511 -15.075 -9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.359 -13.414 -7.518 1.00 0.00 H new ATOM 0 HG12 VAL A 795 4.774 -14.899 -6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 795 6.521 -14.621 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.388 -13.471 -9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 795 7.563 -14.709 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.531 -14.986 -10.640 1.00 0.00 H new ATOM 707 N LYS A 796 5.431 -17.565 -6.381 1.00 0.00 N ATOM 708 CA LYS A 796 4.737 -18.023 -5.173 1.00 0.00 C ATOM 709 C LYS A 796 4.530 -16.908 -4.131 1.00 0.00 C ATOM 710 O LYS A 796 5.363 -16.009 -3.985 1.00 0.00 O ATOM 711 CB LYS A 796 5.509 -19.226 -4.601 1.00 0.00 C ATOM 712 CG LYS A 796 6.797 -18.816 -3.858 1.00 0.00 C ATOM 713 CD LYS A 796 7.901 -19.859 -3.996 1.00 0.00 C ATOM 714 CE LYS A 796 7.486 -21.203 -3.376 1.00 0.00 C ATOM 715 NZ LYS A 796 8.587 -22.198 -3.430 1.00 0.00 N ATOM 0 H LYS A 796 6.435 -17.454 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 796 3.726 -18.330 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.861 -19.775 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.765 -19.906 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.151 -17.862 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.572 -18.665 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.139 -20.001 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.807 -19.497 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.186 -21.048 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.616 -21.594 -3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 8.219 -23.104 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 9.333 -21.856 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 8.981 -22.332 -2.477 1.00 0.00 H new ATOM 729 N ARG A 797 3.430 -16.999 -3.381 1.00 0.00 N ATOM 730 CA ARG A 797 3.041 -16.105 -2.283 1.00 0.00 C ATOM 731 C ARG A 797 2.578 -16.927 -1.078 1.00 0.00 C ATOM 732 O ARG A 797 2.074 -18.044 -1.226 1.00 0.00 O ATOM 733 CB ARG A 797 1.976 -15.069 -2.700 1.00 0.00 C ATOM 734 CG ARG A 797 0.871 -15.498 -3.691 1.00 0.00 C ATOM 735 CD ARG A 797 1.253 -15.566 -5.182 1.00 0.00 C ATOM 736 NE ARG A 797 1.713 -14.276 -5.730 1.00 0.00 N ATOM 737 CZ ARG A 797 1.761 -13.952 -7.019 1.00 0.00 C ATOM 738 NH1 ARG A 797 1.371 -14.773 -7.973 1.00 0.00 N ATOM 739 NH2 ARG A 797 2.210 -12.770 -7.380 1.00 0.00 N ATOM 0 H ARG A 797 2.746 -17.741 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 797 3.923 -15.530 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 797 1.487 -14.715 -1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 797 2.497 -14.216 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 797 0.509 -16.481 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.036 -14.805 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 797 2.039 -16.309 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 797 0.391 -15.909 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 797 2.021 -13.570 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 797 1.015 -15.699 -7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 797 1.425 -14.483 -8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 797 2.520 -12.104 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 797 2.248 -12.519 -8.368 1.00 0.00 H new ATOM 753 N PHE A 798 2.795 -16.386 0.119 1.00 0.00 N ATOM 754 CA PHE A 798 2.701 -17.117 1.386 1.00 0.00 C ATOM 755 C PHE A 798 1.462 -16.686 2.181 1.00 0.00 C ATOM 756 O PHE A 798 1.005 -15.546 2.074 1.00 0.00 O ATOM 757 CB PHE A 798 4.012 -16.899 2.168 1.00 0.00 C ATOM 758 CG PHE A 798 5.261 -17.033 1.319 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.761 -18.308 0.987 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.903 -15.884 0.828 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.887 -18.430 0.154 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.028 -16.006 0.003 1.00 0.00 C ATOM 763 CZ PHE A 798 7.515 -17.279 -0.350 1.00 0.00 C ATOM 0 H PHE A 798 3.047 -15.405 0.240 1.00 0.00 H new ATOM 0 HA PHE A 798 2.578 -18.184 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.995 -15.906 2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.061 -17.619 2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.278 -19.193 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.528 -14.905 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.269 -19.408 -0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.524 -15.120 -0.364 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.368 -17.370 -1.006 1.00 0.00 H new ATOM 773 N PHE A 799 0.918 -17.600 2.992 1.00 0.00 N ATOM 774 CA PHE A 799 -0.334 -17.397 3.719 1.00 0.00 C ATOM 775 C PHE A 799 -0.277 -17.940 5.147 1.00 0.00 C ATOM 776 O PHE A 799 0.416 -18.922 5.433 1.00 0.00 O ATOM 777 CB PHE A 799 -1.512 -17.982 2.925 1.00 0.00 C ATOM 778 CG PHE A 799 -1.665 -17.364 1.546 1.00 0.00 C ATOM 779 CD1 PHE A 799 -2.459 -16.212 1.366 1.00 0.00 C ATOM 780 CD2 PHE A 799 -0.947 -17.897 0.457 1.00 0.00 C ATOM 781 CE1 PHE A 799 -2.498 -15.580 0.109 1.00 0.00 C ATOM 782 CE2 PHE A 799 -0.976 -17.247 -0.789 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.734 -16.076 -0.960 1.00 0.00 C ATOM 0 H PHE A 799 1.342 -18.512 3.162 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.490 -16.323 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.374 -19.058 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.433 -17.832 3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -3.035 -15.816 2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -0.375 -18.805 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -3.119 -14.708 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -0.413 -17.649 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.729 -15.560 -1.909 1.00 0.00 H new ATOM 793 N LYS A 800 -1.022 -17.290 6.044 1.00 0.00 N ATOM 794 CA LYS A 800 -1.143 -17.647 7.460 1.00 0.00 C ATOM 795 C LYS A 800 -2.615 -17.695 7.913 1.00 0.00 C ATOM 796 O LYS A 800 -3.426 -16.850 7.529 1.00 0.00 O ATOM 797 CB LYS A 800 -0.312 -16.644 8.280 1.00 0.00 C ATOM 798 CG LYS A 800 -0.322 -16.955 9.785 1.00 0.00 C ATOM 799 CD LYS A 800 0.672 -16.062 10.539 1.00 0.00 C ATOM 800 CE LYS A 800 0.643 -16.399 12.037 1.00 0.00 C ATOM 801 NZ LYS A 800 1.578 -15.540 12.815 1.00 0.00 N ATOM 0 H LYS A 800 -1.578 -16.471 5.796 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.756 -18.653 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.716 -16.650 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.701 -15.639 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.325 -16.806 10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.068 -18.003 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.677 -16.207 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.419 -15.013 10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.370 -16.272 12.419 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.908 -17.447 12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.530 -15.797 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.548 -15.680 12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.310 -14.542 12.700 1.00 0.00 H new ATOM 815 N CYS A 801 -2.959 -18.686 8.731 1.00 0.00 N ATOM 816 CA CYS A 801 -4.264 -18.870 9.375 1.00 0.00 C ATOM 817 C CYS A 801 -4.214 -18.377 10.845 1.00 0.00 C ATOM 818 O CYS A 801 -3.152 -18.512 11.473 1.00 0.00 O ATOM 819 CB CYS A 801 -4.571 -20.377 9.296 1.00 0.00 C ATOM 820 SG CYS A 801 -6.241 -20.763 9.904 1.00 0.00 S ATOM 0 H CYS A 801 -2.301 -19.425 8.978 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.045 -18.292 8.881 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.474 -20.713 8.264 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.835 -20.928 9.881 1.00 0.00 H new ATOM 825 N PRO A 802 -5.312 -17.851 11.428 1.00 0.00 N ATOM 826 CA PRO A 802 -5.342 -17.367 12.814 1.00 0.00 C ATOM 827 C PRO A 802 -4.973 -18.400 13.898 1.00 0.00 C ATOM 828 O PRO A 802 -4.571 -17.987 14.986 1.00 0.00 O ATOM 829 CB PRO A 802 -6.751 -16.802 13.035 1.00 0.00 C ATOM 830 CG PRO A 802 -7.586 -17.359 11.885 1.00 0.00 C ATOM 831 CD PRO A 802 -6.557 -17.480 10.766 1.00 0.00 C ATOM 0 HA PRO A 802 -4.559 -16.617 12.929 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.153 -17.111 14.000 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.745 -15.712 13.026 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.031 -18.322 12.135 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.404 -16.691 11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -6.855 -18.234 10.037 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.450 -16.539 10.226 1.00 0.00 H new ATOM 839 N CYS A 803 -5.062 -19.714 13.639 1.00 0.00 N ATOM 840 CA CYS A 803 -4.589 -20.759 14.565 1.00 0.00 C ATOM 841 C CYS A 803 -3.046 -20.930 14.593 1.00 0.00 C ATOM 842 O CYS A 803 -2.509 -21.612 15.474 1.00 0.00 O ATOM 843 CB CYS A 803 -5.299 -22.087 14.239 1.00 0.00 C ATOM 844 SG CYS A 803 -4.699 -22.807 12.675 1.00 0.00 S ATOM 0 H CYS A 803 -5.465 -20.085 12.779 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.849 -20.436 15.573 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.137 -22.795 15.051 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.374 -21.918 14.173 1.00 0.00 H new ATOM 849 N GLY A 804 -2.324 -20.300 13.651 1.00 0.00 N ATOM 850 CA GLY A 804 -0.871 -20.362 13.479 1.00 0.00 C ATOM 851 C GLY A 804 -0.406 -21.239 12.310 1.00 0.00 C ATOM 852 O GLY A 804 0.779 -21.210 11.977 1.00 0.00 O ATOM 0 H GLY A 804 -2.767 -19.702 12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.492 -19.351 13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.425 -20.739 14.399 1.00 0.00 H new ATOM 856 N ASN A 805 -1.311 -21.994 11.667 1.00 0.00 N ATOM 857 CA ASN A 805 -0.996 -22.804 10.483 1.00 0.00 C ATOM 858 C ASN A 805 -0.574 -21.939 9.274 1.00 0.00 C ATOM 859 O ASN A 805 -0.968 -20.771 9.167 1.00 0.00 O ATOM 860 CB ASN A 805 -2.196 -23.705 10.149 1.00 0.00 C ATOM 861 CG ASN A 805 -1.873 -24.821 9.160 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.734 -25.249 9.001 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.871 -25.318 8.452 1.00 0.00 N ATOM 0 H ASN A 805 -2.287 -22.059 11.957 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.135 -23.431 10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.574 -24.147 11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -2.997 -23.090 9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.695 -26.058 7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.817 -24.962 8.585 1.00 0.00 H new ATOM 870 N ARG A 806 0.224 -22.514 8.369 1.00 0.00 N ATOM 871 CA ARG A 806 0.837 -21.849 7.213 1.00 0.00 C ATOM 872 C ARG A 806 0.595 -22.630 5.913 1.00 0.00 C ATOM 873 O ARG A 806 0.477 -23.860 5.939 1.00 0.00 O ATOM 874 CB ARG A 806 2.357 -21.711 7.447 1.00 0.00 C ATOM 875 CG ARG A 806 2.744 -20.822 8.642 1.00 0.00 C ATOM 876 CD ARG A 806 2.273 -19.364 8.533 1.00 0.00 C ATOM 877 NE ARG A 806 2.719 -18.724 7.285 1.00 0.00 N ATOM 878 CZ ARG A 806 3.927 -18.239 7.025 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.891 -18.207 7.922 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.183 -17.779 5.823 1.00 0.00 N ATOM 0 H ARG A 806 0.472 -23.502 8.424 1.00 0.00 H new ATOM 0 HA ARG A 806 0.376 -20.867 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.779 -22.704 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.815 -21.304 6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.329 -21.257 9.551 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.829 -20.833 8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.185 -19.331 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.651 -18.798 9.384 1.00 0.00 H new ATOM 0 HE ARG A 806 2.026 -18.645 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.724 -18.565 8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.804 -17.825 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.459 -17.798 5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.106 -17.403 5.607 1.00 0.00 H new ATOM 894 N THR A 807 0.588 -21.923 4.768 1.00 0.00 N ATOM 895 CA THR A 807 0.583 -22.502 3.412 1.00 0.00 C ATOM 896 C THR A 807 1.130 -21.515 2.382 1.00 0.00 C ATOM 897 O THR A 807 1.566 -20.415 2.722 1.00 0.00 O ATOM 898 CB THR A 807 -0.791 -23.100 3.056 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.590 -24.085 2.058 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.820 -22.085 2.564 1.00 0.00 C ATOM 0 H THR A 807 0.586 -20.903 4.761 1.00 0.00 H new ATOM 0 HA THR A 807 1.272 -23.346 3.393 1.00 0.00 H new ATOM 0 HB THR A 807 -1.207 -23.513 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 807 -0.916 -24.951 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.756 -22.596 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.993 -21.338 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.447 -21.596 1.664 1.00 0.00 H new ATOM 908 N ILE A 808 1.146 -21.929 1.120 1.00 0.00 N ATOM 909 CA ILE A 808 1.683 -21.201 -0.043 1.00 0.00 C ATOM 910 C ILE A 808 0.696 -21.371 -1.212 1.00 0.00 C ATOM 911 O ILE A 808 0.072 -22.425 -1.362 1.00 0.00 O ATOM 912 CB ILE A 808 3.101 -21.727 -0.420 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.004 -21.969 0.817 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.793 -20.747 -1.386 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.437 -22.419 0.509 1.00 0.00 C ATOM 0 H ILE A 808 0.763 -22.837 0.857 1.00 0.00 H new ATOM 0 HA ILE A 808 1.791 -20.143 0.195 1.00 0.00 H new ATOM 0 HB ILE A 808 2.957 -22.692 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 808 4.048 -21.048 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.532 -22.723 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.783 -21.126 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.197 -20.648 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.890 -19.772 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.983 -22.560 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.413 -23.359 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.936 -21.659 -0.092 1.00 0.00 H new ATOM 927 N SER A 809 0.563 -20.360 -2.072 1.00 0.00 N ATOM 928 CA SER A 809 -0.163 -20.461 -3.348 1.00 0.00 C ATOM 929 C SER A 809 0.612 -19.773 -4.487 1.00 0.00 C ATOM 930 O SER A 809 1.448 -18.893 -4.255 1.00 0.00 O ATOM 931 CB SER A 809 -1.575 -19.870 -3.232 1.00 0.00 C ATOM 932 OG SER A 809 -2.348 -20.195 -4.382 1.00 0.00 O ATOM 0 H SER A 809 0.959 -19.435 -1.904 1.00 0.00 H new ATOM 0 HA SER A 809 -0.253 -21.521 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 809 -2.064 -20.255 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.514 -18.787 -3.121 1.00 0.00 H new ATOM 0 HG SER A 809 -3.246 -19.812 -4.292 1.00 0.00 H new ATOM 938 N LEU A 810 0.323 -20.168 -5.730 1.00 0.00 N ATOM 939 CA LEU A 810 0.737 -19.445 -6.936 1.00 0.00 C ATOM 940 C LEU A 810 -0.256 -18.330 -7.299 1.00 0.00 C ATOM 941 O LEU A 810 0.115 -17.374 -7.977 1.00 0.00 O ATOM 942 CB LEU A 810 0.921 -20.453 -8.091 1.00 0.00 C ATOM 943 CG LEU A 810 2.049 -21.489 -7.871 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.084 -22.476 -9.039 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.430 -20.832 -7.699 1.00 0.00 C ATOM 0 H LEU A 810 -0.213 -21.012 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 810 1.689 -18.950 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 810 -0.018 -20.985 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.127 -19.901 -9.008 1.00 0.00 H new ATOM 0 HG LEU A 810 1.826 -22.016 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 810 2.880 -23.203 -8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.128 -22.995 -9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.269 -21.935 -9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.184 -21.604 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.673 -20.257 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.412 -20.168 -6.834 1.00 0.00 H new ATOM 957 N ASP A 811 -1.498 -18.407 -6.813 1.00 0.00 N ATOM 958 CA ASP A 811 -2.548 -17.392 -6.970 1.00 0.00 C ATOM 959 C ASP A 811 -2.576 -16.409 -5.782 1.00 0.00 C ATOM 960 O ASP A 811 -1.943 -16.635 -4.751 1.00 0.00 O ATOM 961 CB ASP A 811 -3.904 -18.115 -7.123 1.00 0.00 C ATOM 962 CG ASP A 811 -5.038 -17.205 -7.618 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.843 -16.498 -8.632 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.116 -17.181 -6.979 1.00 0.00 O ATOM 0 H ASP A 811 -1.815 -19.214 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.341 -16.796 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.786 -18.945 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.188 -18.543 -6.162 1.00 0.00 H new ATOM 969 N ARG A 812 -3.349 -15.326 -5.925 1.00 0.00 N ATOM 970 CA ARG A 812 -3.539 -14.279 -4.904 1.00 0.00 C ATOM 971 C ARG A 812 -4.096 -14.776 -3.550 1.00 0.00 C ATOM 972 O ARG A 812 -3.994 -14.049 -2.559 1.00 0.00 O ATOM 973 CB ARG A 812 -4.417 -13.153 -5.485 1.00 0.00 C ATOM 974 CG ARG A 812 -5.826 -13.616 -5.911 1.00 0.00 C ATOM 975 CD ARG A 812 -6.650 -12.435 -6.444 1.00 0.00 C ATOM 976 NE ARG A 812 -7.968 -12.890 -6.923 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.897 -12.142 -7.503 1.00 0.00 C ATOM 978 NH1 ARG A 812 -8.713 -10.861 -7.742 1.00 0.00 N ATOM 979 NH2 ARG A 812 -10.044 -12.680 -7.854 1.00 0.00 N ATOM 0 H ARG A 812 -3.877 -15.145 -6.779 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.544 -13.905 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.514 -12.361 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.911 -12.720 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.744 -14.385 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.338 -14.068 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.781 -11.692 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.111 -11.947 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 812 -8.187 -13.878 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -7.834 -10.414 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.449 -10.315 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -10.217 -13.670 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -10.761 -12.107 -8.300 1.00 0.00 H new ATOM 993 N LEU A 813 -4.652 -15.992 -3.493 1.00 0.00 N ATOM 994 CA LEU A 813 -5.198 -16.646 -2.297 1.00 0.00 C ATOM 995 C LEU A 813 -5.255 -18.173 -2.535 1.00 0.00 C ATOM 996 O LEU A 813 -5.570 -18.579 -3.660 1.00 0.00 O ATOM 997 CB LEU A 813 -6.602 -16.047 -2.024 1.00 0.00 C ATOM 998 CG LEU A 813 -7.169 -16.273 -0.609 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.412 -15.469 0.459 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.644 -15.844 -0.582 1.00 0.00 C ATOM 0 H LEU A 813 -4.738 -16.578 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.569 -16.474 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.560 -14.974 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.302 -16.468 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.058 -17.333 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -6.850 -15.663 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.364 -15.768 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.485 -14.405 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.051 -16.002 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.721 -14.788 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.209 -16.437 -1.301 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.977 -19.035 -1.531 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.129 -20.488 -1.652 1.00 0.00 C ATOM 1014 C PRO A 814 -6.610 -20.901 -1.707 1.00 0.00 C ATOM 1015 O PRO A 814 -7.501 -20.121 -1.382 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.402 -21.071 -0.434 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.555 -19.974 0.614 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.468 -18.701 -0.210 1.00 0.00 C ATOM 0 HA PRO A 814 -4.704 -20.867 -2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.852 -22.008 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.354 -21.279 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.506 -20.049 1.141 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.768 -20.022 1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.056 -17.903 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.439 -18.345 -0.268 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.871 -22.144 -2.130 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.222 -22.715 -2.346 1.00 0.00 C ATOM 1028 C LYS A 815 -8.575 -23.874 -1.389 1.00 0.00 C ATOM 1029 O LYS A 815 -9.700 -24.382 -1.383 1.00 0.00 O ATOM 1030 CB LYS A 815 -8.283 -23.192 -3.812 1.00 0.00 C ATOM 1031 CG LYS A 815 -7.347 -24.388 -4.093 1.00 0.00 C ATOM 1032 CD LYS A 815 -7.220 -24.714 -5.578 1.00 0.00 C ATOM 1033 CE LYS A 815 -8.560 -25.171 -6.183 1.00 0.00 C ATOM 1034 NZ LYS A 815 -8.422 -25.537 -7.615 1.00 0.00 N ATOM 0 H LYS A 815 -6.127 -22.809 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.960 -21.941 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -9.308 -23.474 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -8.015 -22.365 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -6.358 -24.170 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -7.721 -25.266 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -6.861 -23.835 -6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -6.474 -25.497 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -8.938 -26.027 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -9.296 -24.373 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -9.345 -25.839 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -8.085 -24.713 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -7.739 -26.315 -7.710 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.575 -24.343 -0.643 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.485 -25.710 -0.103 1.00 0.00 C ATOM 1050 C LYS A 816 -8.137 -25.942 1.276 1.00 0.00 C ATOM 1051 O LYS A 816 -8.344 -27.098 1.647 1.00 0.00 O ATOM 1052 CB LYS A 816 -5.992 -26.104 -0.073 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.101 -25.064 0.630 1.00 0.00 C ATOM 1054 CD LYS A 816 -3.685 -25.554 0.927 1.00 0.00 C ATOM 1055 CE LYS A 816 -2.892 -25.725 -0.376 1.00 0.00 C ATOM 1056 NZ LYS A 816 -1.446 -25.962 -0.125 1.00 0.00 N ATOM 0 H LYS A 816 -6.774 -23.765 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.072 -26.345 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -5.887 -27.064 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -5.639 -26.242 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.042 -24.172 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.575 -24.768 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.177 -24.843 1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -3.727 -26.503 1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -3.303 -26.561 -0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.011 -24.833 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -0.931 -25.953 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -1.074 -25.213 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -1.321 -26.886 0.336 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.435 -24.874 2.025 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.815 -24.865 3.455 1.00 0.00 C ATOM 1072 C HIS A 817 -7.618 -25.207 4.380 1.00 0.00 C ATOM 1073 O HIS A 817 -6.606 -25.761 3.942 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.028 -25.768 3.759 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.239 -25.518 2.892 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -11.506 -26.098 1.673 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.297 -24.701 3.183 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -12.680 -25.623 1.233 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.211 -24.763 2.122 1.00 0.00 N ATOM 0 H HIS A 817 -8.418 -23.933 1.632 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.120 -23.842 3.673 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -9.726 -26.809 3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.312 -25.632 4.803 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.409 -24.108 4.079 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.138 -25.894 0.293 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.095 -24.261 2.041 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.737 -24.879 5.672 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.744 -25.181 6.699 1.00 0.00 C ATOM 1089 C CYS A 818 -6.608 -26.694 6.949 1.00 0.00 C ATOM 1090 O CYS A 818 -7.598 -27.419 7.078 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.124 -24.406 7.962 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.869 -24.626 9.265 1.00 0.00 S ATOM 0 H CYS A 818 -8.550 -24.383 6.037 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.756 -24.864 6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.227 -23.347 7.726 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.094 -24.747 8.325 1.00 0.00 H new ATOM 1097 N SER A 819 -5.372 -27.177 7.051 1.00 0.00 N ATOM 1098 CA SER A 819 -5.035 -28.558 7.416 1.00 0.00 C ATOM 1099 C SER A 819 -5.014 -28.811 8.943 1.00 0.00 C ATOM 1100 O SER A 819 -4.949 -29.974 9.358 1.00 0.00 O ATOM 1101 CB SER A 819 -3.678 -28.920 6.794 1.00 0.00 C ATOM 1102 OG SER A 819 -2.676 -27.951 7.098 1.00 0.00 O ATOM 0 H SER A 819 -4.548 -26.602 6.877 1.00 0.00 H new ATOM 0 HA SER A 819 -5.824 -29.199 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.361 -29.897 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.785 -29.004 5.713 1.00 0.00 H new ATOM 0 HG SER A 819 -2.570 -27.341 6.338 1.00 0.00 H new ATOM 1108 N THR A 820 -5.103 -27.762 9.779 1.00 0.00 N ATOM 1109 CA THR A 820 -5.060 -27.850 11.247 1.00 0.00 C ATOM 1110 C THR A 820 -6.446 -27.710 11.874 1.00 0.00 C ATOM 1111 O THR A 820 -6.777 -28.529 12.731 1.00 0.00 O ATOM 1112 CB THR A 820 -4.076 -26.810 11.805 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.783 -27.103 11.316 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.994 -26.784 13.331 1.00 0.00 C ATOM 0 H THR A 820 -5.210 -26.805 9.442 1.00 0.00 H new ATOM 0 HA THR A 820 -4.704 -28.845 11.516 1.00 0.00 H new ATOM 0 HB THR A 820 -4.444 -25.837 11.480 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.145 -26.445 11.663 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.278 -26.024 13.644 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.975 -26.551 13.744 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.670 -27.759 13.695 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.258 -26.724 11.464 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.586 -26.449 12.052 1.00 0.00 C ATOM 1124 C CYS A 821 -9.784 -26.541 11.074 1.00 0.00 C ATOM 1125 O CYS A 821 -10.936 -26.655 11.509 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.536 -25.119 12.821 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.427 -23.644 11.760 1.00 0.00 S ATOM 0 H CYS A 821 -7.012 -26.086 10.707 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.793 -27.263 12.747 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.427 -25.039 13.444 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.678 -25.133 13.493 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.527 -26.573 9.761 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.491 -26.961 8.720 1.00 0.00 C ATOM 1134 C GLY A 822 -11.280 -25.824 8.068 1.00 0.00 C ATOM 1135 O GLY A 822 -11.941 -26.061 7.055 1.00 0.00 O ATOM 0 H GLY A 822 -8.615 -26.322 9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -9.953 -27.496 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.201 -27.664 9.156 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.227 -24.601 8.612 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.924 -23.426 8.062 1.00 0.00 C ATOM 1141 C LEU A 823 -11.139 -22.732 6.930 1.00 0.00 C ATOM 1142 O LEU A 823 -10.121 -23.244 6.451 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.383 -22.504 9.220 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.319 -21.984 10.215 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.112 -21.305 9.550 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -11.982 -21.001 11.187 1.00 0.00 C ATOM 0 H LEU A 823 -10.693 -24.395 9.456 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.830 -23.752 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.876 -21.638 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.138 -23.042 9.793 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.927 -22.859 10.733 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.415 -20.970 10.318 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.613 -22.015 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.451 -20.448 8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.239 -20.629 11.892 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.402 -20.165 10.628 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.777 -21.509 11.732 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.623 -21.560 6.496 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.004 -20.711 5.478 1.00 0.00 C ATOM 1160 C PHE A 824 -10.865 -19.268 5.994 1.00 0.00 C ATOM 1161 O PHE A 824 -11.827 -18.491 5.983 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.841 -20.803 4.193 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.168 -20.202 2.976 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.310 -20.996 2.191 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.403 -18.861 2.615 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.692 -20.449 1.053 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.783 -18.319 1.476 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.927 -19.113 0.698 1.00 0.00 C ATOM 0 H PHE A 824 -12.490 -21.165 6.861 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.994 -21.054 5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.065 -21.851 3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.794 -20.299 4.355 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.127 -22.025 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.060 -18.248 3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.035 -21.059 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -10.966 -17.291 1.200 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.449 -18.695 -0.175 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.672 -18.923 6.495 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.316 -17.612 7.079 1.00 0.00 C ATOM 1180 C LYS A 825 -7.866 -17.193 6.719 1.00 0.00 C ATOM 1181 O LYS A 825 -7.187 -16.509 7.492 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.572 -17.632 8.608 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.046 -17.675 9.037 1.00 0.00 C ATOM 1184 CD LYS A 825 -11.813 -16.388 8.693 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.307 -16.486 9.037 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.032 -17.388 8.105 1.00 0.00 N ATOM 0 H LYS A 825 -8.889 -19.576 6.507 1.00 0.00 H new ATOM 0 HA LYS A 825 -9.958 -16.847 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.064 -18.499 9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.111 -16.747 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.534 -18.522 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.100 -17.847 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.373 -15.550 9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.701 -16.175 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.421 -16.851 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.754 -15.492 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -14.791 -16.859 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.369 -17.757 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.444 -18.180 8.638 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.363 -17.633 5.558 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.007 -17.336 5.080 1.00 0.00 C ATOM 1202 C TRP A 826 -5.759 -15.828 4.876 1.00 0.00 C ATOM 1203 O TRP A 826 -6.519 -15.151 4.181 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.746 -18.119 3.783 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.672 -19.606 3.946 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.531 -20.500 3.407 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.678 -20.394 4.672 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.120 -21.783 3.723 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -4.995 -21.776 4.518 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.535 -20.078 5.436 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.213 -22.792 5.088 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -2.758 -21.085 6.035 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.097 -22.438 5.866 1.00 0.00 C ATOM 0 H TRP A 826 -7.897 -18.216 4.913 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.304 -17.652 5.851 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.537 -17.886 3.070 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.810 -17.769 3.347 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.403 -20.251 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.592 -22.630 3.406 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.252 -19.044 5.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.465 -23.831 4.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -1.896 -20.817 6.628 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.500 -23.207 6.334 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.672 -15.317 5.456 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.174 -13.948 5.310 1.00 0.00 C ATOM 1226 C GLU A 827 -2.908 -13.940 4.440 1.00 0.00 C ATOM 1227 O GLU A 827 -2.006 -14.757 4.655 1.00 0.00 O ATOM 1228 CB GLU A 827 -3.861 -13.392 6.708 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.404 -11.924 6.726 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.501 -10.973 6.232 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -4.570 -10.711 5.007 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.309 -10.484 7.059 1.00 0.00 O ATOM 0 H GLU A 827 -4.084 -15.877 6.073 1.00 0.00 H new ATOM 0 HA GLU A 827 -4.927 -13.326 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -4.750 -13.490 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.084 -14.006 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.114 -11.647 7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -2.519 -11.812 6.100 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.817 -13.001 3.494 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.639 -12.801 2.643 1.00 0.00 C ATOM 1241 C ARG A 828 -0.449 -12.322 3.489 1.00 0.00 C ATOM 1242 O ARG A 828 -0.516 -11.258 4.104 1.00 0.00 O ATOM 1243 CB ARG A 828 -2.004 -11.785 1.543 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.925 -11.529 0.477 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.706 -12.711 -0.480 1.00 0.00 C ATOM 1246 NE ARG A 828 -0.021 -12.284 -1.716 1.00 0.00 N ATOM 1247 CZ ARG A 828 -0.607 -11.803 -2.805 1.00 0.00 C ATOM 1248 NH1 ARG A 828 -1.914 -11.677 -2.902 1.00 0.00 N ATOM 1249 NH2 ARG A 828 0.121 -11.438 -3.835 1.00 0.00 N ATOM 0 H ARG A 828 -3.573 -12.346 3.294 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.341 -13.739 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.907 -12.132 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.248 -10.836 2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -1.203 -10.650 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.017 -11.297 0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -0.115 -13.480 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -1.667 -13.160 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 828 0.996 -12.366 -1.735 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -2.512 -11.953 -2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 828 -2.328 -11.303 -3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 828 1.137 -11.524 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 828 -0.329 -11.068 -4.672 1.00 0.00 H new ATOM 1263 N VAL A 829 0.644 -13.089 3.509 1.00 0.00 N ATOM 1264 CA VAL A 829 1.898 -12.752 4.216 1.00 0.00 C ATOM 1265 C VAL A 829 3.108 -12.915 3.283 1.00 0.00 C ATOM 1266 O VAL A 829 2.981 -13.402 2.158 1.00 0.00 O ATOM 1267 CB VAL A 829 2.082 -13.541 5.535 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.961 -13.243 6.547 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.178 -15.061 5.338 1.00 0.00 C ATOM 0 H VAL A 829 0.690 -13.985 3.024 1.00 0.00 H new ATOM 0 HA VAL A 829 1.826 -11.704 4.506 1.00 0.00 H new ATOM 0 HB VAL A 829 3.037 -13.192 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.130 -13.818 7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.959 -12.179 6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.001 -13.521 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.306 -15.546 6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.265 -15.425 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.032 -15.292 4.701 1.00 0.00 H new ATOM 1279 N GLY A 830 4.277 -12.457 3.736 1.00 0.00 N ATOM 1280 CA GLY A 830 5.493 -12.370 2.926 1.00 0.00 C ATOM 1281 C GLY A 830 6.590 -13.345 3.326 1.00 0.00 C ATOM 1282 O GLY A 830 6.653 -13.789 4.477 1.00 0.00 O ATOM 0 H GLY A 830 4.407 -12.130 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.232 -12.545 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.885 -11.355 2.991 1.00 0.00 H new ATOM 1286 N MET A 831 7.504 -13.618 2.388 1.00 0.00 N ATOM 1287 CA MET A 831 8.758 -14.334 2.648 1.00 0.00 C ATOM 1288 C MET A 831 9.844 -14.070 1.597 1.00 0.00 C ATOM 1289 O MET A 831 9.574 -13.923 0.405 1.00 0.00 O ATOM 1290 CB MET A 831 8.516 -15.841 2.879 1.00 0.00 C ATOM 1291 CG MET A 831 9.392 -16.380 4.009 1.00 0.00 C ATOM 1292 SD MET A 831 9.137 -18.122 4.413 1.00 0.00 S ATOM 1293 CE MET A 831 9.754 -18.903 2.903 1.00 0.00 C ATOM 0 H MET A 831 7.391 -13.343 1.412 1.00 0.00 H new ATOM 0 HA MET A 831 9.154 -13.922 3.576 1.00 0.00 H new ATOM 0 HB2 MET A 831 7.466 -16.010 3.118 1.00 0.00 H new ATOM 0 HB3 MET A 831 8.726 -16.390 1.961 1.00 0.00 H new ATOM 0 HG2 MET A 831 10.438 -16.235 3.737 1.00 0.00 H new ATOM 0 HG3 MET A 831 9.210 -15.785 4.904 1.00 0.00 H new ATOM 0 HE1 MET A 831 9.833 -19.979 3.056 1.00 0.00 H new ATOM 0 HE2 MET A 831 9.065 -18.703 2.082 1.00 0.00 H new ATOM 0 HE3 MET A 831 10.736 -18.498 2.659 1.00 0.00 H new ATOM 1303 N LEU A 832 11.092 -13.993 2.069 1.00 0.00 N ATOM 1304 CA LEU A 832 12.250 -13.463 1.322 1.00 0.00 C ATOM 1305 C LEU A 832 13.613 -13.869 1.910 1.00 0.00 C ATOM 1306 O LEU A 832 14.646 -13.260 1.628 1.00 0.00 O ATOM 1307 CB LEU A 832 12.102 -11.937 1.128 1.00 0.00 C ATOM 1308 CG LEU A 832 11.850 -10.987 2.329 1.00 0.00 C ATOM 1309 CD1 LEU A 832 10.458 -11.125 2.969 1.00 0.00 C ATOM 1310 CD2 LEU A 832 12.927 -11.087 3.418 1.00 0.00 C ATOM 0 H LEU A 832 11.338 -14.305 3.008 1.00 0.00 H new ATOM 0 HA LEU A 832 12.243 -13.933 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 832 13.011 -11.591 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 832 11.282 -11.785 0.426 1.00 0.00 H new ATOM 0 HG LEU A 832 11.903 -9.997 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 832 10.368 -10.425 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 832 9.692 -10.906 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 832 10.326 -12.143 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 832 12.690 -10.397 4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 832 12.959 -12.105 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 832 13.898 -10.830 2.994 1.00 0.00 H new ATOM 1322 N LYS A 833 13.607 -14.895 2.756 1.00 0.00 N ATOM 1323 CA LYS A 833 14.749 -15.327 3.579 1.00 0.00 C ATOM 1324 C LYS A 833 16.003 -15.650 2.739 1.00 0.00 C ATOM 1325 O LYS A 833 16.039 -16.642 2.002 1.00 0.00 O ATOM 1326 CB LYS A 833 14.336 -16.528 4.452 1.00 0.00 C ATOM 1327 CG LYS A 833 13.305 -16.153 5.535 1.00 0.00 C ATOM 1328 CD LYS A 833 12.860 -17.357 6.377 1.00 0.00 C ATOM 1329 CE LYS A 833 14.001 -17.938 7.227 1.00 0.00 C ATOM 1330 NZ LYS A 833 13.548 -19.080 8.056 1.00 0.00 N ATOM 0 H LYS A 833 12.780 -15.474 2.898 1.00 0.00 H new ATOM 0 HA LYS A 833 15.026 -14.493 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 833 13.919 -17.308 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 833 15.222 -16.946 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 833 13.734 -15.395 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 833 12.432 -15.706 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 833 12.042 -17.056 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 833 12.472 -18.133 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 833 14.811 -18.263 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 833 14.405 -17.159 7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 14.347 -19.443 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 12.793 -18.765 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 13.186 -19.835 7.439 1.00 0.00 H new ATOM 1344 N GLU A 834 17.039 -14.820 2.898 1.00 0.00 N ATOM 1345 CA GLU A 834 18.402 -15.063 2.406 1.00 0.00 C ATOM 1346 C GLU A 834 19.133 -16.093 3.311 1.00 0.00 C ATOM 1347 O GLU A 834 18.505 -16.838 4.062 1.00 0.00 O ATOM 1348 CB GLU A 834 19.159 -13.718 2.318 1.00 0.00 C ATOM 1349 CG GLU A 834 18.477 -12.704 1.385 1.00 0.00 C ATOM 1350 CD GLU A 834 19.335 -11.437 1.240 1.00 0.00 C ATOM 1351 OE1 GLU A 834 19.231 -10.526 2.098 1.00 0.00 O ATOM 1352 OE2 GLU A 834 20.114 -11.337 0.258 1.00 0.00 O ATOM 0 H GLU A 834 16.950 -13.930 3.389 1.00 0.00 H new ATOM 0 HA GLU A 834 18.364 -15.496 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 834 19.240 -13.287 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 834 20.174 -13.901 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 834 18.316 -13.154 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 834 17.496 -12.441 1.780 1.00 0.00 H new ATOM 1359 N LYS A 835 20.473 -16.116 3.285 1.00 0.00 N ATOM 1360 CA LYS A 835 21.351 -17.019 4.056 1.00 0.00 C ATOM 1361 C LYS A 835 21.393 -16.783 5.595 1.00 0.00 C ATOM 1362 O LYS A 835 22.389 -17.118 6.253 1.00 0.00 O ATOM 1363 CB LYS A 835 22.746 -17.007 3.402 1.00 0.00 C ATOM 1364 CG LYS A 835 23.479 -15.650 3.491 1.00 0.00 C ATOM 1365 CD LYS A 835 24.833 -15.641 2.762 1.00 0.00 C ATOM 1366 CE LYS A 835 25.850 -16.591 3.416 1.00 0.00 C ATOM 1367 NZ LYS A 835 27.169 -16.530 2.736 1.00 0.00 N ATOM 0 H LYS A 835 21.005 -15.474 2.697 1.00 0.00 H new ATOM 0 HA LYS A 835 20.914 -18.016 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 835 23.363 -17.771 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 835 22.645 -17.284 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 835 22.842 -14.873 3.069 1.00 0.00 H new ATOM 0 HG3 LYS A 835 23.637 -15.398 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 835 24.686 -15.930 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 835 25.235 -14.628 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 835 25.969 -16.330 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 835 25.469 -17.612 3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 27.831 -17.183 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 27.058 -16.803 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 27.543 -15.561 2.790 1.00 0.00 H new ATOM 1381 N THR A 836 20.334 -16.195 6.173 1.00 0.00 N ATOM 1382 CA THR A 836 20.139 -15.956 7.617 1.00 0.00 C ATOM 1383 C THR A 836 20.036 -17.276 8.406 1.00 0.00 C ATOM 1384 O THR A 836 19.894 -18.353 7.823 1.00 0.00 O ATOM 1385 CB THR A 836 18.926 -15.035 7.822 1.00 0.00 C ATOM 1386 OG1 THR A 836 18.957 -14.530 9.139 1.00 0.00 O ATOM 1387 CG2 THR A 836 17.576 -15.723 7.574 1.00 0.00 C ATOM 0 H THR A 836 19.548 -15.855 5.619 1.00 0.00 H new ATOM 0 HA THR A 836 21.016 -15.449 8.020 1.00 0.00 H new ATOM 0 HB THR A 836 19.005 -14.237 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 836 18.188 -13.939 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 836 16.768 -15.010 7.738 1.00 0.00 H new ATOM 0 HG22 THR A 836 17.536 -16.086 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 836 17.464 -16.562 8.260 1.00 0.00 H new ATOM 1395 N GLY A 837 20.112 -17.195 9.737 1.00 0.00 N ATOM 1396 CA GLY A 837 20.128 -18.349 10.648 1.00 0.00 C ATOM 1397 C GLY A 837 18.772 -19.040 10.818 1.00 0.00 C ATOM 1398 O GLY A 837 17.741 -18.357 10.844 1.00 0.00 O ATOM 0 H GLY A 837 20.166 -16.302 10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 837 20.850 -19.078 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 837 20.479 -18.020 11.626 1.00 0.00 H new ATOM 1402 N PRO A 838 18.773 -20.353 11.106 1.00 0.00 N ATOM 1403 CA PRO A 838 19.804 -21.344 10.818 1.00 0.00 C ATOM 1404 C PRO A 838 20.127 -21.413 9.322 1.00 0.00 C ATOM 1405 O PRO A 838 19.227 -21.370 8.483 1.00 0.00 O ATOM 1406 CB PRO A 838 19.247 -22.665 11.352 1.00 0.00 C ATOM 1407 CG PRO A 838 18.407 -22.215 12.547 1.00 0.00 C ATOM 1408 CD PRO A 838 17.851 -20.867 12.089 1.00 0.00 C ATOM 0 HA PRO A 838 20.752 -21.091 11.292 1.00 0.00 H new ATOM 0 HB2 PRO A 838 18.645 -23.182 10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 838 20.042 -23.349 11.650 1.00 0.00 H new ATOM 0 HG2 PRO A 838 17.611 -22.925 12.771 1.00 0.00 H new ATOM 0 HG3 PRO A 838 19.010 -22.117 13.450 1.00 0.00 H new ATOM 0 HD2 PRO A 838 16.855 -20.984 11.662 1.00 0.00 H new ATOM 0 HD3 PRO A 838 17.759 -20.180 12.930 1.00 0.00 H new ATOM 1416 N LYS A 839 21.415 -21.500 8.990 1.00 0.00 N ATOM 1417 CA LYS A 839 21.918 -21.294 7.621 1.00 0.00 C ATOM 1418 C LYS A 839 21.474 -22.378 6.618 1.00 0.00 C ATOM 1419 O LYS A 839 21.230 -23.539 6.978 1.00 0.00 O ATOM 1420 CB LYS A 839 23.450 -21.129 7.648 1.00 0.00 C ATOM 1421 CG LYS A 839 23.877 -19.876 8.431 1.00 0.00 C ATOM 1422 CD LYS A 839 25.389 -19.649 8.335 1.00 0.00 C ATOM 1423 CE LYS A 839 25.776 -18.386 9.118 1.00 0.00 C ATOM 1424 NZ LYS A 839 27.238 -18.135 9.057 1.00 0.00 N ATOM 0 H LYS A 839 22.149 -21.717 9.665 1.00 0.00 H new ATOM 0 HA LYS A 839 21.463 -20.375 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 839 23.902 -22.012 8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 839 23.827 -21.065 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 839 23.351 -19.004 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 839 23.589 -19.982 9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 839 25.922 -20.512 8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 839 25.685 -19.546 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 839 25.241 -17.527 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 839 25.467 -18.492 10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 27.465 -17.275 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 27.747 -18.945 9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 27.528 -18.009 8.066 1.00 0.00 H new ATOM 1438 N LEU A 840 21.379 -21.982 5.340 1.00 0.00 N ATOM 1439 CA LEU A 840 20.926 -22.818 4.222 1.00 0.00 C ATOM 1440 C LEU A 840 21.928 -23.942 3.893 1.00 0.00 C ATOM 1441 O LEU A 840 23.134 -23.806 4.128 1.00 0.00 O ATOM 1442 CB LEU A 840 20.652 -21.927 2.993 1.00 0.00 C ATOM 1443 CG LEU A 840 19.600 -20.816 3.191 1.00 0.00 C ATOM 1444 CD1 LEU A 840 19.546 -19.925 1.942 1.00 0.00 C ATOM 1445 CD2 LEU A 840 18.199 -21.386 3.479 1.00 0.00 C ATOM 0 H LEU A 840 21.625 -21.036 5.048 1.00 0.00 H new ATOM 0 HA LEU A 840 20.001 -23.313 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 840 21.590 -21.463 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 840 20.329 -22.565 2.170 1.00 0.00 H new ATOM 0 HG LEU A 840 19.903 -20.230 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 840 18.802 -19.142 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 840 20.523 -19.471 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 840 19.275 -20.529 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 840 17.493 -20.566 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 840 17.880 -22.008 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 840 18.231 -21.988 4.387 1.00 0.00 H new ATOM 1457 N GLY A 841 21.435 -25.044 3.316 1.00 0.00 N ATOM 1458 CA GLY A 841 22.242 -26.218 2.937 1.00 0.00 C ATOM 1459 C GLY A 841 23.009 -26.026 1.624 1.00 0.00 C ATOM 1460 O GLY A 841 22.715 -25.121 0.833 1.00 0.00 O ATOM 0 H GLY A 841 20.445 -25.150 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 841 22.951 -26.436 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 841 21.588 -27.085 2.845 1.00 0.00 H new ATOM 1464 N GLY A 842 23.983 -26.912 1.383 1.00 0.00 N ATOM 1465 CA GLY A 842 24.849 -26.932 0.191 1.00 0.00 C ATOM 1466 C GLY A 842 25.888 -28.048 0.234 1.00 0.00 C ATOM 1467 O GLY A 842 25.507 -29.224 0.035 1.00 0.00 O ATOM 1468 OXT GLY A 842 27.073 -27.742 0.490 1.00 0.00 O ATOM 0 H GLY A 842 24.200 -27.665 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 842 24.231 -27.051 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 842 25.357 -25.972 0.101 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.417 -35.466 -10.972 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.308 -22.898 10.886 1.00 0.00 ZN