USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 787 HIS HD1 : A 787 HIS ND1 : A 843 ZNZN :(H bumps) USER MOD Set 1.1: A 805 ASN : amide:sc= 2.02 K(o=2.5,f=-2) USER MOD Set 1.2: A 819 SER OG : rot 75:sc= 0.481 USER MOD Set 1.3: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 807 THR OG1 : rot -140:sc= 0.0349 USER MOD Set 2.2: A 816 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 763 CYS SG : rot 180:sc= -0.123 USER MOD Set 3.2: A 777 LYS NZ :NH3+ -107:sc= 0.525 (180deg=-0.113) USER MOD Set 4.1: A 775 HIS : no HE2:sc= 0.513 K(o=1.1,f=-4.4!) USER MOD Set 4.2: A 815 LYS NZ :NH3+ -152:sc= 0.578 (180deg=0) USER MOD Set 5.1: A 767 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 774 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 MET CE :methyl 168:sc= 0 (180deg=-0.171) USER MOD Single : A -4 GLY N :NH3+ -124:sc= 0.0796 (180deg=0) USER MOD Single : A 755 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.943 K(o=0.94,f=0) USER MOD Single : A 762 SER OG : rot 180:sc=0.000161 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot -160:sc= 0.216 USER MOD Single : A 772 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0136) USER MOD Single : A 773 TYR OH : rot -166:sc= 0.631 USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.00982 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 790 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 792 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.34) USER MOD Single : A 793 ASN : amide:sc= -0.0157 K(o=-0.016,f=-3!) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 SER OG : rot 180:sc= -0.0651 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= 0.077 (180deg=-0.0106) USER MOD Single : A 831 MET CE :methyl -132:sc= 0 (180deg=-0.0204) 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= 0.0292 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 22.560 -0.163 -8.016 1.00 0.00 N ATOM 2 CA GLY A -4 23.420 -1.315 -8.372 1.00 0.00 C ATOM 3 C GLY A -4 22.604 -2.556 -8.746 1.00 0.00 C ATOM 4 O GLY A -4 21.395 -2.436 -8.985 1.00 0.00 O ATOM 0 H1 GLY A -4 22.800 0.649 -8.619 1.00 0.00 H new ATOM 0 H2 GLY A -4 21.562 -0.417 -8.159 1.00 0.00 H new ATOM 0 H3 GLY A -4 22.713 0.089 -7.019 1.00 0.00 H new ATOM 0 HA2 GLY A -4 24.063 -1.041 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A -4 24.073 -1.552 -7.532 1.00 0.00 H new ATOM 10 N PRO A -3 23.243 -3.744 -8.824 1.00 0.00 N ATOM 11 CA PRO A -3 22.599 -5.022 -9.143 1.00 0.00 C ATOM 12 C PRO A -3 21.463 -5.404 -8.183 1.00 0.00 C ATOM 13 O PRO A -3 21.412 -4.954 -7.037 1.00 0.00 O ATOM 14 CB PRO A -3 23.710 -6.074 -9.112 1.00 0.00 C ATOM 15 CG PRO A -3 24.977 -5.267 -9.387 1.00 0.00 C ATOM 16 CD PRO A -3 24.685 -3.930 -8.720 1.00 0.00 C ATOM 0 HA PRO A -3 22.118 -4.949 -10.118 1.00 0.00 H new ATOM 0 HB2 PRO A -3 23.758 -6.578 -8.147 1.00 0.00 H new ATOM 0 HB3 PRO A -3 23.554 -6.844 -9.867 1.00 0.00 H new ATOM 0 HG2 PRO A -3 25.860 -5.745 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A -3 25.159 -5.153 -10.456 1.00 0.00 H new ATOM 0 HD2 PRO A -3 25.005 -3.934 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A -3 25.221 -3.120 -9.215 1.00 0.00 H new ATOM 24 N MET A -2 20.566 -6.277 -8.651 1.00 0.00 N ATOM 25 CA MET A -2 19.378 -6.734 -7.913 1.00 0.00 C ATOM 26 C MET A -2 19.719 -7.545 -6.647 1.00 0.00 C ATOM 27 O MET A -2 18.885 -7.649 -5.746 1.00 0.00 O ATOM 28 CB MET A -2 18.471 -7.569 -8.838 1.00 0.00 C ATOM 29 CG MET A -2 17.926 -6.790 -10.049 1.00 0.00 C ATOM 30 SD MET A -2 19.067 -6.443 -11.423 1.00 0.00 S ATOM 31 CE MET A -2 19.369 -8.119 -12.028 1.00 0.00 C ATOM 0 H MET A -2 20.645 -6.698 -9.577 1.00 0.00 H new ATOM 0 HA MET A -2 18.856 -5.837 -7.580 1.00 0.00 H new ATOM 0 HB2 MET A -2 19.031 -8.432 -9.197 1.00 0.00 H new ATOM 0 HB3 MET A -2 17.632 -7.952 -8.258 1.00 0.00 H new ATOM 0 HG2 MET A -2 17.079 -7.346 -10.450 1.00 0.00 H new ATOM 0 HG3 MET A -2 17.539 -5.837 -9.687 1.00 0.00 H new ATOM 0 HE1 MET A -2 19.874 -8.072 -12.993 1.00 0.00 H new ATOM 0 HE2 MET A -2 19.996 -8.655 -11.316 1.00 0.00 H new ATOM 0 HE3 MET A -2 18.419 -8.642 -12.140 1.00 0.00 H new ATOM 41 N GLY A -1 20.941 -8.086 -6.548 1.00 0.00 N ATOM 42 CA GLY A -1 21.417 -8.885 -5.407 1.00 0.00 C ATOM 43 C GLY A -1 21.659 -8.081 -4.121 1.00 0.00 C ATOM 44 O GLY A -1 21.814 -8.670 -3.048 1.00 0.00 O ATOM 0 H GLY A -1 21.645 -7.978 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A -1 20.688 -9.668 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A -1 22.345 -9.381 -5.690 1.00 0.00 H new ATOM 48 N MET A 755 21.649 -6.748 -4.202 1.00 0.00 N ATOM 49 CA MET A 755 21.775 -5.827 -3.059 1.00 0.00 C ATOM 50 C MET A 755 20.447 -5.616 -2.293 1.00 0.00 C ATOM 51 O MET A 755 20.438 -4.935 -1.263 1.00 0.00 O ATOM 52 CB MET A 755 22.358 -4.482 -3.545 1.00 0.00 C ATOM 53 CG MET A 755 23.860 -4.551 -3.848 1.00 0.00 C ATOM 54 SD MET A 755 24.370 -5.539 -5.281 1.00 0.00 S ATOM 55 CE MET A 755 26.159 -5.314 -5.158 1.00 0.00 C ATOM 0 H MET A 755 21.550 -6.260 -5.092 1.00 0.00 H new ATOM 0 HA MET A 755 22.456 -6.287 -2.343 1.00 0.00 H new ATOM 0 HB2 MET A 755 21.827 -4.166 -4.443 1.00 0.00 H new ATOM 0 HB3 MET A 755 22.181 -3.721 -2.785 1.00 0.00 H new ATOM 0 HG2 MET A 755 24.223 -3.533 -3.992 1.00 0.00 H new ATOM 0 HG3 MET A 755 24.365 -4.947 -2.967 1.00 0.00 H new ATOM 0 HE1 MET A 755 26.650 -5.856 -5.966 1.00 0.00 H new ATOM 0 HE2 MET A 755 26.398 -4.253 -5.234 1.00 0.00 H new ATOM 0 HE3 MET A 755 26.509 -5.697 -4.199 1.00 0.00 H new ATOM 65 N GLN A 756 19.334 -6.198 -2.760 1.00 0.00 N ATOM 66 CA GLN A 756 18.020 -6.182 -2.100 1.00 0.00 C ATOM 67 C GLN A 756 17.391 -7.595 -2.084 1.00 0.00 C ATOM 68 O GLN A 756 17.940 -8.541 -2.651 1.00 0.00 O ATOM 69 CB GLN A 756 17.103 -5.140 -2.771 1.00 0.00 C ATOM 70 CG GLN A 756 16.810 -5.402 -4.262 1.00 0.00 C ATOM 71 CD GLN A 756 15.842 -4.374 -4.851 1.00 0.00 C ATOM 72 OE1 GLN A 756 16.233 -3.415 -5.511 1.00 0.00 O ATOM 73 NE2 GLN A 756 14.546 -4.517 -4.640 1.00 0.00 N ATOM 0 H GLN A 756 19.323 -6.712 -3.641 1.00 0.00 H new ATOM 0 HA GLN A 756 18.149 -5.886 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 756 16.157 -5.107 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 756 17.562 -4.156 -2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 756 17.744 -5.382 -4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 756 16.390 -6.401 -4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 756 14.202 -5.307 -4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 756 13.889 -3.837 -5.023 1.00 0.00 H new ATOM 82 N SER A 757 16.233 -7.755 -1.438 1.00 0.00 N ATOM 83 CA SER A 757 15.514 -9.033 -1.319 1.00 0.00 C ATOM 84 C SER A 757 14.004 -8.826 -1.104 1.00 0.00 C ATOM 85 O SER A 757 13.566 -7.771 -0.632 1.00 0.00 O ATOM 86 CB SER A 757 16.118 -9.870 -0.181 1.00 0.00 C ATOM 87 OG SER A 757 15.639 -11.211 -0.231 1.00 0.00 O ATOM 0 H SER A 757 15.756 -6.984 -0.971 1.00 0.00 H new ATOM 0 HA SER A 757 15.631 -9.572 -2.259 1.00 0.00 H new ATOM 0 HB2 SER A 757 17.205 -9.864 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 757 15.863 -9.423 0.780 1.00 0.00 H new ATOM 0 HG SER A 757 16.037 -11.728 0.501 1.00 0.00 H new ATOM 93 N ILE A 758 13.197 -9.834 -1.462 1.00 0.00 N ATOM 94 CA ILE A 758 11.719 -9.834 -1.427 1.00 0.00 C ATOM 95 C ILE A 758 11.232 -11.235 -1.014 1.00 0.00 C ATOM 96 O ILE A 758 11.859 -12.241 -1.368 1.00 0.00 O ATOM 97 CB ILE A 758 11.095 -9.423 -2.799 1.00 0.00 C ATOM 98 CG1 ILE A 758 11.855 -8.356 -3.637 1.00 0.00 C ATOM 99 CG2 ILE A 758 9.670 -8.886 -2.557 1.00 0.00 C ATOM 100 CD1 ILE A 758 12.956 -8.925 -4.543 1.00 0.00 C ATOM 0 H ILE A 758 13.572 -10.720 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 758 11.393 -9.091 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 758 11.138 -10.339 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 758 11.136 -7.817 -4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 758 12.300 -7.629 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 758 9.224 -8.596 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 758 9.062 -9.663 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 758 9.715 -8.019 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 758 13.433 -8.112 -5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 758 13.700 -9.438 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 758 12.518 -9.630 -5.250 1.00 0.00 H new ATOM 112 N ARG A 759 10.097 -11.315 -0.302 1.00 0.00 N ATOM 113 CA ARG A 759 9.441 -12.592 0.045 1.00 0.00 C ATOM 114 C ARG A 759 9.122 -13.449 -1.197 1.00 0.00 C ATOM 115 O ARG A 759 9.386 -14.654 -1.202 1.00 0.00 O ATOM 116 CB ARG A 759 8.198 -12.364 0.938 1.00 0.00 C ATOM 117 CG ARG A 759 6.974 -11.630 0.328 1.00 0.00 C ATOM 118 CD ARG A 759 7.082 -10.094 0.297 1.00 0.00 C ATOM 119 NE ARG A 759 6.257 -9.519 -0.785 1.00 0.00 N ATOM 120 CZ ARG A 759 5.263 -8.649 -0.697 1.00 0.00 C ATOM 121 NH1 ARG A 759 4.833 -8.148 0.442 1.00 0.00 N ATOM 122 NH2 ARG A 759 4.690 -8.284 -1.820 1.00 0.00 N ATOM 0 H ARG A 759 9.604 -10.495 0.052 1.00 0.00 H new ATOM 0 HA ARG A 759 10.157 -13.169 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.859 -13.338 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 759 8.518 -11.802 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 759 6.825 -11.989 -0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 759 6.085 -11.905 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 759 6.763 -9.686 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 759 8.123 -9.803 0.157 1.00 0.00 H new ATOM 0 HE ARG A 759 6.484 -9.835 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 759 5.271 -8.428 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 759 4.062 -7.480 0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 759 5.015 -8.669 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 759 3.919 -7.616 -1.806 1.00 0.00 H new ATOM 136 N GLU A 760 8.583 -12.826 -2.251 1.00 0.00 N ATOM 137 CA GLU A 760 8.229 -13.469 -3.520 1.00 0.00 C ATOM 138 C GLU A 760 9.486 -13.776 -4.346 1.00 0.00 C ATOM 139 O GLU A 760 10.450 -13.004 -4.372 1.00 0.00 O ATOM 140 CB GLU A 760 7.184 -12.634 -4.275 1.00 0.00 C ATOM 141 CG GLU A 760 7.713 -11.290 -4.796 1.00 0.00 C ATOM 142 CD GLU A 760 6.620 -10.213 -4.771 1.00 0.00 C ATOM 143 OE1 GLU A 760 6.246 -9.779 -3.656 1.00 0.00 O ATOM 144 OE2 GLU A 760 6.094 -9.843 -5.846 1.00 0.00 O ATOM 0 H GLU A 760 8.375 -11.828 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 760 7.761 -14.432 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.809 -13.216 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 760 6.337 -12.448 -3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 760 8.558 -10.968 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 760 8.083 -11.412 -5.814 1.00 0.00 H new ATOM 151 N GLN A 761 9.482 -14.942 -4.988 1.00 0.00 N ATOM 152 CA GLN A 761 10.687 -15.585 -5.514 1.00 0.00 C ATOM 153 C GLN A 761 10.306 -16.546 -6.644 1.00 0.00 C ATOM 154 O GLN A 761 9.370 -17.335 -6.510 1.00 0.00 O ATOM 155 CB GLN A 761 11.436 -16.282 -4.357 1.00 0.00 C ATOM 156 CG GLN A 761 10.614 -17.358 -3.619 1.00 0.00 C ATOM 157 CD GLN A 761 11.262 -17.787 -2.299 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.005 -18.760 -2.217 1.00 0.00 O ATOM 159 NE2 GLN A 761 10.990 -17.100 -1.204 1.00 0.00 N ATOM 0 H GLN A 761 8.630 -15.476 -5.161 1.00 0.00 H new ATOM 0 HA GLN A 761 11.365 -14.847 -5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 761 12.341 -16.742 -4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.751 -15.526 -3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.613 -16.974 -3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.499 -18.229 -4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.375 -16.288 -1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.395 -17.382 -0.311 1.00 0.00 H new ATOM 168 N SER A 762 10.998 -16.466 -7.784 1.00 0.00 N ATOM 169 CA SER A 762 10.709 -17.316 -8.942 1.00 0.00 C ATOM 170 C SER A 762 11.275 -18.738 -8.778 1.00 0.00 C ATOM 171 O SER A 762 12.366 -18.948 -8.229 1.00 0.00 O ATOM 172 CB SER A 762 11.198 -16.668 -10.252 1.00 0.00 C ATOM 173 OG SER A 762 12.546 -16.213 -10.162 1.00 0.00 O ATOM 0 H SER A 762 11.769 -15.815 -7.930 1.00 0.00 H new ATOM 0 HA SER A 762 9.625 -17.410 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 762 11.114 -17.390 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.550 -15.828 -10.503 1.00 0.00 H new ATOM 0 HG SER A 762 12.813 -15.811 -11.015 1.00 0.00 H new ATOM 179 N CYS A 763 10.523 -19.732 -9.257 1.00 0.00 N ATOM 180 CA CYS A 763 10.839 -21.161 -9.136 1.00 0.00 C ATOM 181 C CYS A 763 10.094 -21.970 -10.215 1.00 0.00 C ATOM 182 O CYS A 763 9.065 -21.519 -10.729 1.00 0.00 O ATOM 183 CB CYS A 763 10.472 -21.614 -7.710 1.00 0.00 C ATOM 184 SG CYS A 763 11.129 -23.268 -7.359 1.00 0.00 S ATOM 0 H CYS A 763 9.650 -19.561 -9.756 1.00 0.00 H new ATOM 0 HA CYS A 763 11.903 -21.336 -9.298 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.867 -20.901 -6.986 1.00 0.00 H new ATOM 0 HB3 CYS A 763 9.388 -21.618 -7.594 1.00 0.00 H new ATOM 0 HG CYS A 763 10.803 -23.617 -6.150 1.00 0.00 H new ATOM 190 N ARG A 764 10.590 -23.158 -10.558 1.00 0.00 N ATOM 191 CA ARG A 764 9.910 -24.054 -11.499 1.00 0.00 C ATOM 192 C ARG A 764 8.673 -24.681 -10.832 1.00 0.00 C ATOM 193 O ARG A 764 8.761 -25.203 -9.716 1.00 0.00 O ATOM 194 CB ARG A 764 10.881 -25.096 -12.078 1.00 0.00 C ATOM 195 CG ARG A 764 10.455 -25.501 -13.503 1.00 0.00 C ATOM 196 CD ARG A 764 11.422 -26.536 -14.100 1.00 0.00 C ATOM 197 NE ARG A 764 11.162 -26.779 -15.526 1.00 0.00 N ATOM 198 CZ ARG A 764 11.567 -26.033 -16.550 1.00 0.00 C ATOM 199 NH1 ARG A 764 12.273 -24.936 -16.382 1.00 0.00 N ATOM 200 NH2 ARG A 764 11.260 -26.389 -17.779 1.00 0.00 N ATOM 0 H ARG A 764 11.469 -23.527 -10.195 1.00 0.00 H new ATOM 0 HA ARG A 764 9.554 -23.475 -12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 764 11.892 -24.688 -12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 764 10.904 -25.976 -11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.446 -25.913 -13.480 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.424 -24.618 -14.141 1.00 0.00 H new ATOM 0 HD2 ARG A 764 12.447 -26.189 -13.973 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.333 -27.473 -13.551 1.00 0.00 H new ATOM 0 HE ARG A 764 10.613 -27.608 -15.755 1.00 0.00 H new ATOM 0 HH11 ARG A 764 12.527 -24.632 -15.442 1.00 0.00 H new ATOM 0 HH12 ARG A 764 12.566 -24.389 -17.192 1.00 0.00 H new ATOM 0 HH21 ARG A 764 10.713 -27.234 -17.944 1.00 0.00 H new ATOM 0 HH22 ARG A 764 11.569 -25.820 -18.567 1.00 0.00 H new ATOM 214 N VAL A 765 7.542 -24.605 -11.523 1.00 0.00 N ATOM 215 CA VAL A 765 6.215 -25.091 -11.129 1.00 0.00 C ATOM 216 C VAL A 765 5.721 -26.155 -12.121 1.00 0.00 C ATOM 217 O VAL A 765 6.197 -26.221 -13.256 1.00 0.00 O ATOM 218 CB VAL A 765 5.193 -23.930 -11.012 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.524 -22.993 -9.836 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.077 -23.087 -12.290 1.00 0.00 C ATOM 0 H VAL A 765 7.522 -24.169 -12.445 1.00 0.00 H new ATOM 0 HA VAL A 765 6.304 -25.546 -10.143 1.00 0.00 H new ATOM 0 HB VAL A 765 4.235 -24.421 -10.839 1.00 0.00 H new ATOM 0 HG11 VAL A 765 4.785 -22.193 -9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.507 -23.558 -8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.515 -22.563 -9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.345 -22.294 -12.137 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.046 -22.647 -12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 765 4.757 -23.721 -13.117 1.00 0.00 H new ATOM 230 N VAL A 766 4.774 -26.981 -11.678 1.00 0.00 N ATOM 231 CA VAL A 766 4.145 -28.063 -12.452 1.00 0.00 C ATOM 232 C VAL A 766 2.633 -27.842 -12.569 1.00 0.00 C ATOM 233 O VAL A 766 2.015 -27.304 -11.648 1.00 0.00 O ATOM 234 CB VAL A 766 4.447 -29.448 -11.819 1.00 0.00 C ATOM 235 CG1 VAL A 766 3.716 -29.686 -10.490 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.128 -30.600 -12.781 1.00 0.00 C ATOM 0 H VAL A 766 4.405 -26.916 -10.729 1.00 0.00 H new ATOM 0 HA VAL A 766 4.572 -28.048 -13.455 1.00 0.00 H new ATOM 0 HB VAL A 766 5.517 -29.431 -11.613 1.00 0.00 H new ATOM 0 HG11 VAL A 766 3.973 -30.673 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.015 -28.926 -9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 766 2.640 -29.629 -10.652 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.354 -31.551 -12.298 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.071 -30.570 -13.047 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.732 -30.499 -13.683 1.00 0.00 H new ATOM 246 N THR A 767 2.043 -28.321 -13.672 1.00 0.00 N ATOM 247 CA THR A 767 0.593 -28.438 -13.864 1.00 0.00 C ATOM 248 C THR A 767 0.249 -29.872 -14.262 1.00 0.00 C ATOM 249 O THR A 767 0.598 -30.284 -15.369 1.00 0.00 O ATOM 250 CB THR A 767 0.117 -27.427 -14.918 1.00 0.00 C ATOM 251 OG1 THR A 767 0.470 -26.123 -14.518 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.410 -27.455 -15.070 1.00 0.00 C ATOM 0 H THR A 767 2.577 -28.647 -14.478 1.00 0.00 H new ATOM 0 HA THR A 767 0.076 -28.209 -12.932 1.00 0.00 H new ATOM 0 HB THR A 767 0.588 -27.697 -15.863 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.167 -25.480 -15.193 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.714 -26.728 -15.823 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.727 -28.451 -15.378 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.875 -27.205 -14.116 1.00 0.00 H new ATOM 260 N CYS A 768 -0.432 -30.620 -13.380 1.00 0.00 N ATOM 261 CA CYS A 768 -0.958 -31.957 -13.679 1.00 0.00 C ATOM 262 C CYS A 768 -2.207 -31.840 -14.567 1.00 0.00 C ATOM 263 O CYS A 768 -3.217 -31.245 -14.183 1.00 0.00 O ATOM 264 CB CYS A 768 -1.220 -32.744 -12.381 1.00 0.00 C ATOM 265 SG CYS A 768 -1.595 -34.502 -12.736 1.00 0.00 S ATOM 0 H CYS A 768 -0.634 -30.309 -12.430 1.00 0.00 H new ATOM 0 HA CYS A 768 -0.214 -32.525 -14.238 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.347 -32.680 -11.731 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -2.053 -32.294 -11.841 1.00 0.00 H new ATOM 270 N LYS A 769 -2.126 -32.402 -15.772 1.00 0.00 N ATOM 271 CA LYS A 769 -3.197 -32.421 -16.773 1.00 0.00 C ATOM 272 C LYS A 769 -4.200 -33.571 -16.543 1.00 0.00 C ATOM 273 O LYS A 769 -5.305 -33.527 -17.098 1.00 0.00 O ATOM 274 CB LYS A 769 -2.556 -32.502 -18.180 1.00 0.00 C ATOM 275 CG LYS A 769 -1.502 -31.421 -18.505 1.00 0.00 C ATOM 276 CD LYS A 769 -2.008 -29.975 -18.394 1.00 0.00 C ATOM 277 CE LYS A 769 -3.138 -29.677 -19.390 1.00 0.00 C ATOM 278 NZ LYS A 769 -3.570 -28.254 -19.324 1.00 0.00 N ATOM 0 H LYS A 769 -1.281 -32.875 -16.092 1.00 0.00 H new ATOM 0 HA LYS A 769 -3.776 -31.502 -16.683 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -2.090 -33.481 -18.290 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -3.350 -32.442 -18.924 1.00 0.00 H new ATOM 0 HG2 LYS A 769 -0.653 -31.547 -17.832 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -1.133 -31.586 -19.518 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -2.363 -29.793 -17.380 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -1.180 -29.288 -18.570 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -2.802 -29.909 -20.401 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -3.989 -30.326 -19.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -4.334 -28.091 -20.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -3.914 -28.040 -18.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -2.765 -27.636 -19.549 1.00 0.00 H new ATOM 292 N THR A 770 -3.851 -34.564 -15.712 1.00 0.00 N ATOM 293 CA THR A 770 -4.722 -35.692 -15.336 1.00 0.00 C ATOM 294 C THR A 770 -5.696 -35.294 -14.222 1.00 0.00 C ATOM 295 O THR A 770 -6.885 -35.610 -14.325 1.00 0.00 O ATOM 296 CB THR A 770 -3.864 -36.896 -14.939 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.957 -37.188 -15.986 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.683 -38.157 -14.658 1.00 0.00 C ATOM 0 H THR A 770 -2.932 -34.608 -15.271 1.00 0.00 H new ATOM 0 HA THR A 770 -5.329 -35.973 -16.197 1.00 0.00 H new ATOM 0 HB THR A 770 -3.350 -36.620 -14.018 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.637 -38.110 -15.894 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.013 -38.972 -14.382 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.377 -37.965 -13.840 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.243 -38.434 -15.551 1.00 0.00 H new ATOM 306 N CYS A 771 -5.221 -34.571 -13.196 1.00 0.00 N ATOM 307 CA CYS A 771 -6.027 -34.157 -12.035 1.00 0.00 C ATOM 308 C CYS A 771 -6.582 -32.713 -12.128 1.00 0.00 C ATOM 309 O CYS A 771 -7.566 -32.400 -11.456 1.00 0.00 O ATOM 310 CB CYS A 771 -5.156 -34.275 -10.779 1.00 0.00 C ATOM 311 SG CYS A 771 -4.617 -35.991 -10.456 1.00 0.00 S ATOM 0 H CYS A 771 -4.253 -34.253 -13.148 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.895 -34.815 -12.002 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.279 -33.637 -10.888 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.714 -33.905 -9.919 1.00 0.00 H new ATOM 316 N LYS A 772 -5.933 -31.841 -12.911 1.00 0.00 N ATOM 317 CA LYS A 772 -6.246 -30.412 -13.116 1.00 0.00 C ATOM 318 C LYS A 772 -5.896 -29.551 -11.880 1.00 0.00 C ATOM 319 O LYS A 772 -6.767 -28.959 -11.231 1.00 0.00 O ATOM 320 CB LYS A 772 -7.695 -30.203 -13.624 1.00 0.00 C ATOM 321 CG LYS A 772 -8.069 -31.010 -14.879 1.00 0.00 C ATOM 322 CD LYS A 772 -7.153 -30.721 -16.078 1.00 0.00 C ATOM 323 CE LYS A 772 -7.605 -31.427 -17.364 1.00 0.00 C ATOM 324 NZ LYS A 772 -8.881 -30.886 -17.908 1.00 0.00 N ATOM 0 H LYS A 772 -5.121 -32.130 -13.456 1.00 0.00 H new ATOM 0 HA LYS A 772 -5.597 -30.052 -13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -8.386 -30.466 -12.823 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.840 -29.144 -13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -8.026 -32.074 -14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -9.099 -30.785 -15.154 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.121 -29.646 -16.253 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -6.138 -31.035 -15.836 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -6.825 -31.330 -18.119 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -7.724 -32.492 -17.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -9.109 -31.366 -18.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -9.647 -31.048 -17.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -8.780 -29.865 -18.080 1.00 0.00 H new ATOM 338 N TYR A 773 -4.598 -29.458 -11.567 1.00 0.00 N ATOM 339 CA TYR A 773 -4.052 -28.534 -10.553 1.00 0.00 C ATOM 340 C TYR A 773 -2.641 -28.012 -10.900 1.00 0.00 C ATOM 341 O TYR A 773 -1.881 -28.672 -11.618 1.00 0.00 O ATOM 342 CB TYR A 773 -4.080 -29.183 -9.155 1.00 0.00 C ATOM 343 CG TYR A 773 -3.041 -30.266 -8.905 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.733 -29.915 -8.508 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.385 -31.622 -9.026 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.766 -30.911 -8.265 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.433 -32.624 -8.751 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.110 -32.271 -8.384 1.00 0.00 C ATOM 349 OH TYR A 773 -0.174 -33.230 -8.135 1.00 0.00 O ATOM 0 H TYR A 773 -3.882 -30.030 -12.016 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.702 -27.659 -10.547 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.947 -28.399 -8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.069 -29.611 -8.994 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.471 -28.874 -8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.383 -31.898 -9.331 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.239 -30.631 -7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.712 -33.665 -8.820 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.493 -34.094 -8.470 1.00 0.00 H new ATOM 359 N THR A 774 -2.282 -26.857 -10.326 1.00 0.00 N ATOM 360 CA THR A 774 -0.955 -26.216 -10.417 1.00 0.00 C ATOM 361 C THR A 774 -0.298 -26.233 -9.039 1.00 0.00 C ATOM 362 O THR A 774 -0.953 -25.949 -8.036 1.00 0.00 O ATOM 363 CB THR A 774 -1.082 -24.775 -10.928 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.851 -24.782 -12.114 1.00 0.00 O ATOM 365 CG2 THR A 774 0.287 -24.157 -11.246 1.00 0.00 C ATOM 0 H THR A 774 -2.935 -26.316 -9.759 1.00 0.00 H new ATOM 0 HA THR A 774 -0.337 -26.770 -11.124 1.00 0.00 H new ATOM 0 HB THR A 774 -1.554 -24.181 -10.146 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.941 -23.866 -12.451 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.151 -23.137 -11.605 1.00 0.00 H new ATOM 0 HG22 THR A 774 0.900 -24.146 -10.344 1.00 0.00 H new ATOM 0 HG23 THR A 774 0.784 -24.749 -12.015 1.00 0.00 H new ATOM 373 N HIS A 775 0.996 -26.545 -8.982 1.00 0.00 N ATOM 374 CA HIS A 775 1.781 -26.613 -7.738 1.00 0.00 C ATOM 375 C HIS A 775 3.281 -26.423 -8.015 1.00 0.00 C ATOM 376 O HIS A 775 3.721 -26.426 -9.168 1.00 0.00 O ATOM 377 CB HIS A 775 1.527 -27.965 -7.037 1.00 0.00 C ATOM 378 CG HIS A 775 1.104 -27.834 -5.594 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.867 -28.100 -4.475 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.130 -27.448 -5.148 1.00 0.00 C ATOM 381 CE1 HIS A 775 1.109 -27.875 -3.389 1.00 0.00 C ATOM 382 NE2 HIS A 775 -0.127 -27.476 -3.749 1.00 0.00 N ATOM 0 H HIS A 775 1.545 -26.763 -9.814 1.00 0.00 H new ATOM 0 HA HIS A 775 1.462 -25.803 -7.083 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.756 -28.508 -7.584 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.435 -28.565 -7.086 1.00 0.00 H new ATOM 0 HD1 HIS A 775 2.838 -28.413 -4.473 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -0.967 -27.168 -5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 775 1.443 -27.997 -2.369 1.00 0.00 H new ATOM 390 N PHE A 776 4.082 -26.303 -6.955 1.00 0.00 N ATOM 391 CA PHE A 776 5.542 -26.196 -7.045 1.00 0.00 C ATOM 392 C PHE A 776 6.172 -27.495 -7.578 1.00 0.00 C ATOM 393 O PHE A 776 7.090 -27.449 -8.396 1.00 0.00 O ATOM 394 CB PHE A 776 6.111 -25.831 -5.660 1.00 0.00 C ATOM 395 CG PHE A 776 5.252 -24.877 -4.842 1.00 0.00 C ATOM 396 CD1 PHE A 776 5.133 -23.525 -5.210 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.514 -25.368 -3.746 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.260 -22.675 -4.505 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.647 -24.515 -3.040 1.00 0.00 C ATOM 400 CZ PHE A 776 3.508 -23.171 -3.426 1.00 0.00 C ATOM 0 H PHE A 776 3.732 -26.277 -5.997 1.00 0.00 H new ATOM 0 HA PHE A 776 5.793 -25.408 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.253 -26.749 -5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 776 7.096 -25.384 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.713 -23.138 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 776 4.615 -26.401 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.168 -21.639 -4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.086 -24.894 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.826 -22.522 -2.896 1.00 0.00 H new ATOM 410 N LYS A 777 5.671 -28.652 -7.124 1.00 0.00 N ATOM 411 CA LYS A 777 6.111 -30.012 -7.489 1.00 0.00 C ATOM 412 C LYS A 777 4.922 -31.003 -7.385 1.00 0.00 C ATOM 413 O LYS A 777 4.013 -30.752 -6.582 1.00 0.00 O ATOM 414 CB LYS A 777 7.279 -30.475 -6.580 1.00 0.00 C ATOM 415 CG LYS A 777 8.635 -29.804 -6.860 1.00 0.00 C ATOM 416 CD LYS A 777 8.938 -28.621 -5.924 1.00 0.00 C ATOM 417 CE LYS A 777 10.170 -27.798 -6.329 1.00 0.00 C ATOM 418 NZ LYS A 777 10.024 -27.153 -7.663 1.00 0.00 N ATOM 0 H LYS A 777 4.903 -28.668 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 777 6.467 -29.994 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.006 -30.287 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.396 -31.553 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 777 9.426 -30.547 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 777 8.652 -29.454 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 777 8.069 -27.963 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 777 9.085 -29.000 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 777 10.350 -27.029 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 777 11.046 -28.446 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 10.624 -27.646 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 9.031 -27.205 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 10.315 -26.157 -7.601 1.00 0.00 H new ATOM 432 N PRO A 778 4.900 -32.098 -8.174 1.00 0.00 N ATOM 433 CA PRO A 778 3.791 -33.053 -8.197 1.00 0.00 C ATOM 434 C PRO A 778 3.832 -33.971 -6.970 1.00 0.00 C ATOM 435 O PRO A 778 4.874 -34.128 -6.325 1.00 0.00 O ATOM 436 CB PRO A 778 3.963 -33.836 -9.495 1.00 0.00 C ATOM 437 CG PRO A 778 5.478 -33.853 -9.692 1.00 0.00 C ATOM 438 CD PRO A 778 5.902 -32.487 -9.162 1.00 0.00 C ATOM 0 HA PRO A 778 2.821 -32.556 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.556 -34.844 -9.415 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.454 -33.352 -10.328 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.949 -34.666 -9.139 1.00 0.00 H new ATOM 0 HG3 PRO A 778 5.748 -33.982 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.893 -32.536 -8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 778 5.955 -31.757 -9.969 1.00 0.00 H new ATOM 446 N LYS A 779 2.703 -34.612 -6.666 1.00 0.00 N ATOM 447 CA LYS A 779 2.610 -35.606 -5.588 1.00 0.00 C ATOM 448 C LYS A 779 3.369 -36.896 -5.926 1.00 0.00 C ATOM 449 O LYS A 779 3.530 -37.270 -7.094 1.00 0.00 O ATOM 450 CB LYS A 779 1.132 -35.914 -5.276 1.00 0.00 C ATOM 451 CG LYS A 779 0.416 -34.709 -4.646 1.00 0.00 C ATOM 452 CD LYS A 779 -1.058 -34.995 -4.319 1.00 0.00 C ATOM 453 CE LYS A 779 -1.888 -35.249 -5.590 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.308 -35.516 -5.270 1.00 0.00 N ATOM 0 H LYS A 779 1.824 -34.459 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 779 3.082 -35.178 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.619 -36.201 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 779 1.074 -36.766 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.936 -34.420 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.474 -33.861 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.123 -35.863 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.479 -34.151 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -1.820 -34.383 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -1.471 -36.097 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -3.837 -35.683 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -3.375 -36.357 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -3.712 -34.696 -4.773 1.00 0.00 H new ATOM 468 N GLU A 780 3.765 -37.647 -4.891 1.00 0.00 N ATOM 469 CA GLU A 780 4.421 -38.949 -5.061 1.00 0.00 C ATOM 470 C GLU A 780 3.511 -39.950 -5.783 1.00 0.00 C ATOM 471 O GLU A 780 3.979 -40.693 -6.648 1.00 0.00 O ATOM 472 CB GLU A 780 4.882 -39.505 -3.702 1.00 0.00 C ATOM 473 CG GLU A 780 5.984 -38.647 -3.064 1.00 0.00 C ATOM 474 CD GLU A 780 6.487 -39.287 -1.759 1.00 0.00 C ATOM 475 OE1 GLU A 780 5.898 -39.021 -0.682 1.00 0.00 O ATOM 476 OE2 GLU A 780 7.477 -40.056 -1.793 1.00 0.00 O ATOM 0 H GLU A 780 3.641 -37.371 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 780 5.300 -38.798 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 780 4.029 -39.558 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 780 5.248 -40.523 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.813 -38.534 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 780 5.601 -37.647 -2.860 1.00 0.00 H new ATOM 483 N THR A 781 2.199 -39.912 -5.504 1.00 0.00 N ATOM 484 CA THR A 781 1.169 -40.679 -6.224 1.00 0.00 C ATOM 485 C THR A 781 1.092 -40.297 -7.700 1.00 0.00 C ATOM 486 O THR A 781 1.071 -41.198 -8.535 1.00 0.00 O ATOM 487 CB THR A 781 -0.198 -40.498 -5.554 1.00 0.00 C ATOM 488 OG1 THR A 781 -0.423 -39.130 -5.272 1.00 0.00 O ATOM 489 CG2 THR A 781 -0.273 -41.273 -4.238 1.00 0.00 C ATOM 0 H THR A 781 1.816 -39.335 -4.755 1.00 0.00 H new ATOM 0 HA THR A 781 1.455 -41.730 -6.176 1.00 0.00 H new ATOM 0 HB THR A 781 -0.954 -40.876 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 781 -1.299 -39.024 -4.846 1.00 0.00 H new ATOM 0 HG21 THR A 781 -1.253 -41.126 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 781 -0.118 -42.334 -4.431 1.00 0.00 H new ATOM 0 HG23 THR A 781 0.499 -40.911 -3.558 1.00 0.00 H new ATOM 497 N CYS A 782 1.140 -39.005 -8.036 1.00 0.00 N ATOM 498 CA CYS A 782 1.145 -38.525 -9.416 1.00 0.00 C ATOM 499 C CYS A 782 2.387 -38.999 -10.193 1.00 0.00 C ATOM 500 O CYS A 782 2.282 -39.384 -11.363 1.00 0.00 O ATOM 501 CB CYS A 782 1.063 -36.991 -9.395 1.00 0.00 C ATOM 502 SG CYS A 782 -0.614 -36.433 -8.952 1.00 0.00 S ATOM 0 H CYS A 782 1.177 -38.255 -7.346 1.00 0.00 H new ATOM 0 HA CYS A 782 0.283 -38.941 -9.937 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.783 -36.595 -8.679 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.335 -36.595 -10.373 1.00 0.00 H new ATOM 507 N VAL A 783 3.554 -39.005 -9.542 1.00 0.00 N ATOM 508 CA VAL A 783 4.812 -39.508 -10.119 1.00 0.00 C ATOM 509 C VAL A 783 4.774 -41.040 -10.283 1.00 0.00 C ATOM 510 O VAL A 783 5.125 -41.533 -11.352 1.00 0.00 O ATOM 511 CB VAL A 783 6.044 -39.048 -9.300 1.00 0.00 C ATOM 512 CG1 VAL A 783 7.357 -39.659 -9.830 1.00 0.00 C ATOM 513 CG2 VAL A 783 6.176 -37.515 -9.355 1.00 0.00 C ATOM 0 H VAL A 783 3.657 -38.658 -8.589 1.00 0.00 H new ATOM 0 HA VAL A 783 4.914 -39.074 -11.113 1.00 0.00 H new ATOM 0 HB VAL A 783 5.884 -39.389 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 783 8.192 -39.308 -9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 783 7.301 -40.746 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.507 -39.356 -10.866 1.00 0.00 H new ATOM 0 HG21 VAL A 783 7.045 -37.204 -8.776 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.297 -37.197 -10.391 1.00 0.00 H new ATOM 0 HG23 VAL A 783 5.279 -37.057 -8.938 1.00 0.00 H new ATOM 523 N SER A 784 4.322 -41.796 -9.280 1.00 0.00 N ATOM 524 CA SER A 784 4.265 -43.261 -9.314 1.00 0.00 C ATOM 525 C SER A 784 3.199 -43.807 -10.289 1.00 0.00 C ATOM 526 O SER A 784 3.440 -44.811 -10.967 1.00 0.00 O ATOM 527 CB SER A 784 3.970 -43.762 -7.898 1.00 0.00 C ATOM 528 OG SER A 784 5.129 -43.690 -7.079 1.00 0.00 O ATOM 0 H SER A 784 3.979 -41.401 -8.405 1.00 0.00 H new ATOM 0 HA SER A 784 5.227 -43.624 -9.675 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.171 -43.166 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 784 3.614 -44.791 -7.940 1.00 0.00 H new ATOM 0 HG SER A 784 4.914 -44.014 -6.179 1.00 0.00 H new ATOM 534 N GLU A 785 2.048 -43.139 -10.409 1.00 0.00 N ATOM 535 CA GLU A 785 1.014 -43.462 -11.404 1.00 0.00 C ATOM 536 C GLU A 785 1.345 -42.908 -12.804 1.00 0.00 C ATOM 537 O GLU A 785 0.642 -43.212 -13.769 1.00 0.00 O ATOM 538 CB GLU A 785 -0.346 -42.920 -10.936 1.00 0.00 C ATOM 539 CG GLU A 785 -0.888 -43.589 -9.662 1.00 0.00 C ATOM 540 CD GLU A 785 -1.252 -45.063 -9.903 1.00 0.00 C ATOM 541 OE1 GLU A 785 -2.301 -45.331 -10.536 1.00 0.00 O ATOM 542 OE2 GLU A 785 -0.504 -45.963 -9.448 1.00 0.00 O ATOM 0 H GLU A 785 1.802 -42.349 -9.812 1.00 0.00 H new ATOM 0 HA GLU A 785 0.976 -44.548 -11.489 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -0.256 -41.848 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.072 -43.051 -11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -0.141 -43.524 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -1.769 -43.049 -9.314 1.00 0.00 H new ATOM 549 N ASN A 786 2.406 -42.100 -12.929 1.00 0.00 N ATOM 550 CA ASN A 786 2.887 -41.486 -14.175 1.00 0.00 C ATOM 551 C ASN A 786 1.788 -40.653 -14.878 1.00 0.00 C ATOM 552 O ASN A 786 1.486 -40.842 -16.065 1.00 0.00 O ATOM 553 CB ASN A 786 3.550 -42.540 -15.086 1.00 0.00 C ATOM 554 CG ASN A 786 4.884 -43.036 -14.537 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.946 -42.568 -14.936 1.00 0.00 O ATOM 556 ND2 ASN A 786 4.894 -43.979 -13.613 1.00 0.00 N ATOM 0 H ASN A 786 2.980 -41.844 -12.126 1.00 0.00 H new ATOM 0 HA ASN A 786 3.665 -40.765 -13.923 1.00 0.00 H new ATOM 0 HB2 ASN A 786 2.874 -43.387 -15.207 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.706 -42.112 -16.076 1.00 0.00 H new ATOM 0 HD21 ASN A 786 5.780 -44.314 -13.236 1.00 0.00 H new ATOM 0 HD22 ASN A 786 4.015 -44.373 -13.277 1.00 0.00 H new ATOM 563 N HIS A 787 1.180 -39.725 -14.124 1.00 0.00 N ATOM 564 CA HIS A 787 0.240 -38.727 -14.643 1.00 0.00 C ATOM 565 C HIS A 787 0.907 -37.822 -15.687 1.00 0.00 C ATOM 566 O HIS A 787 2.129 -37.664 -15.714 1.00 0.00 O ATOM 567 CB HIS A 787 -0.355 -37.892 -13.487 1.00 0.00 C ATOM 568 CG HIS A 787 -1.373 -38.603 -12.617 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.157 -38.021 -11.617 1.00 0.00 N ATOM 570 CD2 HIS A 787 -1.715 -39.929 -12.698 1.00 0.00 C ATOM 571 CE1 HIS A 787 -2.946 -39.001 -11.124 1.00 0.00 C ATOM 572 NE2 HIS A 787 -2.693 -40.157 -11.762 1.00 0.00 N ATOM 0 H HIS A 787 1.332 -39.648 -13.118 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.573 -39.256 -15.139 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.463 -37.550 -12.852 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.823 -37.003 -13.909 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.293 -40.659 -13.373 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -3.672 -38.874 -10.335 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.150 -41.051 -11.581 1.00 0.00 H new ATOM 580 N ASP A 788 0.095 -37.212 -16.551 1.00 0.00 N ATOM 581 CA ASP A 788 0.561 -36.239 -17.542 1.00 0.00 C ATOM 582 C ASP A 788 0.726 -34.861 -16.891 1.00 0.00 C ATOM 583 O ASP A 788 -0.193 -34.386 -16.224 1.00 0.00 O ATOM 584 CB ASP A 788 -0.445 -36.182 -18.704 1.00 0.00 C ATOM 585 CG ASP A 788 0.028 -35.318 -19.884 1.00 0.00 C ATOM 586 OD1 ASP A 788 1.236 -35.335 -20.214 1.00 0.00 O ATOM 587 OD2 ASP A 788 -0.824 -34.656 -20.518 1.00 0.00 O ATOM 0 H ASP A 788 -0.911 -37.379 -16.584 1.00 0.00 H new ATOM 0 HA ASP A 788 1.533 -36.544 -17.930 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.635 -37.195 -19.059 1.00 0.00 H new ATOM 0 HB3 ASP A 788 -1.393 -35.790 -18.334 1.00 0.00 H new ATOM 592 N PHE A 789 1.873 -34.202 -17.099 1.00 0.00 N ATOM 593 CA PHE A 789 2.130 -32.856 -16.581 1.00 0.00 C ATOM 594 C PHE A 789 3.031 -32.021 -17.494 1.00 0.00 C ATOM 595 O PHE A 789 3.920 -32.542 -18.175 1.00 0.00 O ATOM 596 CB PHE A 789 2.676 -32.862 -15.134 1.00 0.00 C ATOM 597 CG PHE A 789 3.244 -34.145 -14.567 1.00 0.00 C ATOM 598 CD1 PHE A 789 4.539 -34.572 -14.916 1.00 0.00 C ATOM 599 CD2 PHE A 789 2.510 -34.860 -13.606 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.088 -35.719 -14.308 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.062 -35.994 -12.990 1.00 0.00 C ATOM 602 CZ PHE A 789 4.349 -36.429 -13.345 1.00 0.00 C ATOM 0 H PHE A 789 2.650 -34.590 -17.633 1.00 0.00 H new ATOM 0 HA PHE A 789 1.152 -32.375 -16.562 1.00 0.00 H new ATOM 0 HB2 PHE A 789 3.456 -32.103 -15.074 1.00 0.00 H new ATOM 0 HB3 PHE A 789 1.868 -32.542 -14.477 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.111 -34.022 -15.648 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.515 -34.535 -13.340 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.078 -36.053 -14.582 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.497 -36.532 -12.243 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.771 -37.307 -12.879 1.00 0.00 H new ATOM 612 N HIS A 790 2.828 -30.704 -17.439 1.00 0.00 N ATOM 613 CA HIS A 790 3.714 -29.701 -18.031 1.00 0.00 C ATOM 614 C HIS A 790 4.464 -28.935 -16.921 1.00 0.00 C ATOM 615 O HIS A 790 3.885 -28.620 -15.876 1.00 0.00 O ATOM 616 CB HIS A 790 2.873 -28.723 -18.877 1.00 0.00 C ATOM 617 CG HIS A 790 2.120 -29.338 -20.035 1.00 0.00 C ATOM 618 ND1 HIS A 790 1.007 -28.801 -20.635 1.00 0.00 N ATOM 619 CD2 HIS A 790 2.436 -30.478 -20.731 1.00 0.00 C ATOM 620 CE1 HIS A 790 0.654 -29.594 -21.664 1.00 0.00 C ATOM 621 NE2 HIS A 790 1.500 -30.639 -21.767 1.00 0.00 N ATOM 0 H HIS A 790 2.021 -30.295 -16.969 1.00 0.00 H new ATOM 0 HA HIS A 790 4.449 -30.193 -18.668 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.155 -28.229 -18.222 1.00 0.00 H new ATOM 0 HB3 HIS A 790 3.533 -27.949 -19.267 1.00 0.00 H new ATOM 0 HD2 HIS A 790 3.263 -31.139 -20.519 1.00 0.00 H new ATOM 0 HE1 HIS A 790 -0.189 -29.418 -22.316 1.00 0.00 H new ATOM 0 HE2 HIS A 790 1.467 -31.391 -22.455 1.00 0.00 H new ATOM 629 N TRP A 791 5.736 -28.597 -17.159 1.00 0.00 N ATOM 630 CA TRP A 791 6.584 -27.804 -16.252 1.00 0.00 C ATOM 631 C TRP A 791 6.983 -26.461 -16.879 1.00 0.00 C ATOM 632 O TRP A 791 7.238 -26.368 -18.080 1.00 0.00 O ATOM 633 CB TRP A 791 7.842 -28.606 -15.903 1.00 0.00 C ATOM 634 CG TRP A 791 7.667 -29.788 -14.997 1.00 0.00 C ATOM 635 CD1 TRP A 791 7.312 -31.038 -15.374 1.00 0.00 C ATOM 636 CD2 TRP A 791 7.899 -29.867 -13.556 1.00 0.00 C ATOM 637 NE1 TRP A 791 7.337 -31.883 -14.280 1.00 0.00 N ATOM 638 CE2 TRP A 791 7.719 -31.219 -13.138 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.277 -28.936 -12.563 1.00 0.00 C ATOM 640 CZ2 TRP A 791 7.945 -31.634 -11.814 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.477 -29.338 -11.227 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.337 -30.685 -10.857 1.00 0.00 C ATOM 0 H TRP A 791 6.221 -28.874 -18.012 1.00 0.00 H new ATOM 0 HA TRP A 791 6.011 -27.592 -15.349 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.290 -28.956 -16.833 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.559 -27.928 -15.440 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.048 -31.332 -16.379 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.102 -32.875 -14.316 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.415 -27.899 -12.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 7.819 -32.670 -11.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.740 -28.603 -10.481 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.530 -30.990 -9.839 1.00 0.00 H new ATOM 653 N HIS A 792 7.113 -25.426 -16.048 1.00 0.00 N ATOM 654 CA HIS A 792 7.504 -24.065 -16.440 1.00 0.00 C ATOM 655 C HIS A 792 7.936 -23.234 -15.216 1.00 0.00 C ATOM 656 O HIS A 792 7.749 -23.670 -14.078 1.00 0.00 O ATOM 657 CB HIS A 792 6.338 -23.385 -17.189 1.00 0.00 C ATOM 658 CG HIS A 792 5.108 -23.110 -16.359 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.669 -21.865 -15.969 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.185 -24.019 -15.898 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.508 -22.011 -15.309 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.165 -23.312 -15.243 1.00 0.00 N ATOM 0 H HIS A 792 6.943 -25.512 -15.046 1.00 0.00 H new ATOM 0 HA HIS A 792 8.363 -24.127 -17.108 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.695 -22.442 -17.602 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.053 -24.015 -18.032 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.236 -25.091 -16.019 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.931 -21.200 -14.890 1.00 0.00 H new ATOM 0 HE2 HIS A 792 2.332 -23.704 -14.805 1.00 0.00 H new ATOM 670 N ASN A 793 8.489 -22.032 -15.416 1.00 0.00 N ATOM 671 CA ASN A 793 8.786 -21.107 -14.312 1.00 0.00 C ATOM 672 C ASN A 793 7.530 -20.316 -13.878 1.00 0.00 C ATOM 673 O ASN A 793 6.726 -19.894 -14.717 1.00 0.00 O ATOM 674 CB ASN A 793 9.939 -20.170 -14.696 1.00 0.00 C ATOM 675 CG ASN A 793 10.505 -19.426 -13.496 1.00 0.00 C ATOM 676 OD1 ASN A 793 10.098 -18.312 -13.189 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.453 -20.010 -12.789 1.00 0.00 N ATOM 0 H ASN A 793 8.742 -21.674 -16.337 1.00 0.00 H new ATOM 0 HA ASN A 793 9.100 -21.697 -13.451 1.00 0.00 H new ATOM 0 HB2 ASN A 793 10.732 -20.749 -15.168 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.588 -19.449 -15.434 1.00 0.00 H new ATOM 0 HD21 ASN A 793 11.853 -19.534 -11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.786 -20.938 -13.051 1.00 0.00 H new ATOM 684 N GLY A 794 7.380 -20.108 -12.568 1.00 0.00 N ATOM 685 CA GLY A 794 6.350 -19.293 -11.916 1.00 0.00 C ATOM 686 C GLY A 794 6.908 -18.531 -10.710 1.00 0.00 C ATOM 687 O GLY A 794 8.123 -18.494 -10.497 1.00 0.00 O ATOM 0 H GLY A 794 8.015 -20.531 -11.890 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.938 -18.585 -12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.529 -19.934 -11.593 1.00 0.00 H new ATOM 691 N VAL A 795 6.031 -17.933 -9.909 1.00 0.00 N ATOM 692 CA VAL A 795 6.364 -17.172 -8.690 1.00 0.00 C ATOM 693 C VAL A 795 5.238 -17.301 -7.650 1.00 0.00 C ATOM 694 O VAL A 795 4.055 -17.310 -7.989 1.00 0.00 O ATOM 695 CB VAL A 795 6.722 -15.693 -9.004 1.00 0.00 C ATOM 696 CG1 VAL A 795 5.652 -14.967 -9.829 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.999 -14.863 -7.737 1.00 0.00 C ATOM 0 H VAL A 795 5.028 -17.961 -10.091 1.00 0.00 H new ATOM 0 HA VAL A 795 7.263 -17.607 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 795 7.633 -15.767 -9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.968 -13.940 -10.011 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.517 -15.479 -10.782 1.00 0.00 H new ATOM 0 HG13 VAL A 795 4.709 -14.965 -9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 795 7.243 -13.839 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 795 6.113 -14.863 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.836 -15.299 -7.192 1.00 0.00 H new ATOM 707 N LYS A 796 5.640 -17.461 -6.387 1.00 0.00 N ATOM 708 CA LYS A 796 4.781 -17.890 -5.276 1.00 0.00 C ATOM 709 C LYS A 796 4.424 -16.775 -4.275 1.00 0.00 C ATOM 710 O LYS A 796 5.188 -15.824 -4.072 1.00 0.00 O ATOM 711 CB LYS A 796 5.448 -19.115 -4.616 1.00 0.00 C ATOM 712 CG LYS A 796 6.789 -18.809 -3.927 1.00 0.00 C ATOM 713 CD LYS A 796 7.703 -20.039 -3.805 1.00 0.00 C ATOM 714 CE LYS A 796 7.103 -21.127 -2.910 1.00 0.00 C ATOM 715 NZ LYS A 796 7.983 -22.322 -2.834 1.00 0.00 N ATOM 0 H LYS A 796 6.603 -17.290 -6.098 1.00 0.00 H new ATOM 0 HA LYS A 796 3.805 -18.166 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.762 -19.535 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.609 -19.880 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.309 -18.032 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.596 -18.408 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 796 7.888 -20.450 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.668 -19.732 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.944 -20.728 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.126 -21.418 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.545 -23.037 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.114 -22.717 -3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 8.907 -22.049 -2.442 1.00 0.00 H new ATOM 729 N ARG A 797 3.245 -16.900 -3.653 1.00 0.00 N ATOM 730 CA ARG A 797 2.624 -15.981 -2.687 1.00 0.00 C ATOM 731 C ARG A 797 2.386 -16.699 -1.351 1.00 0.00 C ATOM 732 O ARG A 797 2.090 -17.896 -1.336 1.00 0.00 O ATOM 733 CB ARG A 797 1.272 -15.474 -3.237 1.00 0.00 C ATOM 734 CG ARG A 797 1.304 -14.837 -4.638 1.00 0.00 C ATOM 735 CD ARG A 797 2.183 -13.583 -4.690 1.00 0.00 C ATOM 736 NE ARG A 797 2.306 -13.067 -6.062 1.00 0.00 N ATOM 737 CZ ARG A 797 3.113 -12.077 -6.429 1.00 0.00 C ATOM 738 NH1 ARG A 797 3.796 -11.393 -5.537 1.00 0.00 N ATOM 739 NH2 ARG A 797 3.253 -11.758 -7.696 1.00 0.00 N ATOM 0 H ARG A 797 2.652 -17.712 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 797 3.295 -15.137 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.575 -16.312 -3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 797 0.870 -14.742 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.674 -15.567 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.289 -14.579 -4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.758 -12.812 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 797 3.173 -13.815 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 797 1.730 -13.500 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 797 3.711 -11.619 -4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 797 4.411 -10.636 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 797 2.739 -12.272 -8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 797 3.876 -10.996 -7.964 1.00 0.00 H new ATOM 753 N PHE A 798 2.508 -15.972 -0.236 1.00 0.00 N ATOM 754 CA PHE A 798 2.565 -16.535 1.125 1.00 0.00 C ATOM 755 C PHE A 798 1.422 -16.029 2.012 1.00 0.00 C ATOM 756 O PHE A 798 1.106 -14.833 2.022 1.00 0.00 O ATOM 757 CB PHE A 798 3.922 -16.176 1.753 1.00 0.00 C ATOM 758 CG PHE A 798 5.131 -16.639 0.963 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.620 -15.845 -0.093 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.752 -17.867 1.261 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.712 -16.291 -0.852 1.00 0.00 C ATOM 762 CE2 PHE A 798 6.857 -18.297 0.507 1.00 0.00 C ATOM 763 CZ PHE A 798 7.343 -17.506 -0.545 1.00 0.00 C ATOM 0 H PHE A 798 2.572 -14.954 -0.250 1.00 0.00 H new ATOM 0 HA PHE A 798 2.453 -17.617 1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.976 -15.094 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 798 3.970 -16.610 2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.156 -14.896 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.379 -18.479 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.070 -15.695 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.333 -19.238 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.200 -17.831 -1.116 1.00 0.00 H new ATOM 773 N PHE A 799 0.812 -16.945 2.772 1.00 0.00 N ATOM 774 CA PHE A 799 -0.424 -16.704 3.521 1.00 0.00 C ATOM 775 C PHE A 799 -0.394 -17.287 4.944 1.00 0.00 C ATOM 776 O PHE A 799 0.355 -18.223 5.237 1.00 0.00 O ATOM 777 CB PHE A 799 -1.605 -17.292 2.732 1.00 0.00 C ATOM 778 CG PHE A 799 -1.725 -16.806 1.302 1.00 0.00 C ATOM 779 CD1 PHE A 799 -1.066 -17.495 0.265 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.512 -15.679 1.005 1.00 0.00 C ATOM 781 CE1 PHE A 799 -1.178 -17.046 -1.064 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.628 -15.236 -0.325 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.957 -15.914 -1.358 1.00 0.00 C ATOM 0 H PHE A 799 1.171 -17.893 2.885 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.534 -15.626 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.512 -18.378 2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.529 -17.055 3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.474 -18.370 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -3.026 -15.155 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.666 -17.571 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.235 -14.372 -0.554 1.00 0.00 H new ATOM 0 HZ PHE A 799 -2.040 -15.565 -2.377 1.00 0.00 H new ATOM 793 N LYS A 800 -1.243 -16.742 5.819 1.00 0.00 N ATOM 794 CA LYS A 800 -1.378 -17.126 7.231 1.00 0.00 C ATOM 795 C LYS A 800 -2.857 -17.170 7.673 1.00 0.00 C ATOM 796 O LYS A 800 -3.685 -16.390 7.202 1.00 0.00 O ATOM 797 CB LYS A 800 -0.547 -16.135 8.073 1.00 0.00 C ATOM 798 CG LYS A 800 -0.617 -16.379 9.589 1.00 0.00 C ATOM 799 CD LYS A 800 0.338 -15.445 10.340 1.00 0.00 C ATOM 800 CE LYS A 800 0.244 -15.705 11.851 1.00 0.00 C ATOM 801 NZ LYS A 800 1.118 -14.786 12.627 1.00 0.00 N ATOM 0 H LYS A 800 -1.881 -15.991 5.555 1.00 0.00 H new ATOM 0 HA LYS A 800 -1.000 -18.137 7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.494 -16.191 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.890 -15.122 7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.637 -16.221 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.363 -17.416 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.360 -15.605 9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.088 -14.406 10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.789 -15.585 12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.526 -16.737 12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.026 -14.994 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.107 -14.919 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 0.833 -13.802 12.448 1.00 0.00 H new ATOM 815 N CYS A 801 -3.169 -18.097 8.580 1.00 0.00 N ATOM 816 CA CYS A 801 -4.466 -18.284 9.235 1.00 0.00 C ATOM 817 C CYS A 801 -4.447 -17.690 10.670 1.00 0.00 C ATOM 818 O CYS A 801 -3.388 -17.737 11.307 1.00 0.00 O ATOM 819 CB CYS A 801 -4.695 -19.802 9.279 1.00 0.00 C ATOM 820 SG CYS A 801 -6.325 -20.241 9.967 1.00 0.00 S ATOM 0 H CYS A 801 -2.481 -18.780 8.897 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.264 -17.774 8.696 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.608 -20.209 8.272 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.913 -20.267 9.880 1.00 0.00 H new ATOM 825 N PRO A 802 -5.572 -17.176 11.217 1.00 0.00 N ATOM 826 CA PRO A 802 -5.642 -16.603 12.566 1.00 0.00 C ATOM 827 C PRO A 802 -5.236 -17.537 13.721 1.00 0.00 C ATOM 828 O PRO A 802 -4.866 -17.024 14.780 1.00 0.00 O ATOM 829 CB PRO A 802 -7.080 -16.089 12.729 1.00 0.00 C ATOM 830 CG PRO A 802 -7.871 -16.783 11.625 1.00 0.00 C ATOM 831 CD PRO A 802 -6.829 -16.931 10.523 1.00 0.00 C ATOM 0 HA PRO A 802 -4.896 -15.812 12.641 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.478 -16.334 13.714 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -7.126 -15.005 12.627 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.260 -17.748 11.949 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.724 -16.188 11.300 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.077 -17.755 9.855 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.772 -16.031 9.911 1.00 0.00 H new ATOM 839 N CYS A 803 -5.256 -18.873 13.557 1.00 0.00 N ATOM 840 CA CYS A 803 -4.736 -19.816 14.563 1.00 0.00 C ATOM 841 C CYS A 803 -3.187 -19.904 14.608 1.00 0.00 C ATOM 842 O CYS A 803 -2.620 -20.467 15.554 1.00 0.00 O ATOM 843 CB CYS A 803 -5.386 -21.198 14.367 1.00 0.00 C ATOM 844 SG CYS A 803 -4.744 -22.046 12.882 1.00 0.00 S ATOM 0 H CYS A 803 -5.632 -19.328 12.725 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.015 -19.423 15.540 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.200 -21.815 15.246 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.466 -21.082 14.281 1.00 0.00 H new ATOM 849 N GLY A 804 -2.499 -19.326 13.615 1.00 0.00 N ATOM 850 CA GLY A 804 -1.040 -19.325 13.450 1.00 0.00 C ATOM 851 C GLY A 804 -0.526 -20.239 12.329 1.00 0.00 C ATOM 852 O GLY A 804 0.657 -20.162 11.990 1.00 0.00 O ATOM 0 H GLY A 804 -2.970 -18.820 12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.710 -18.305 13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.580 -19.630 14.390 1.00 0.00 H new ATOM 856 N ASN A 805 -1.380 -21.085 11.738 1.00 0.00 N ATOM 857 CA ASN A 805 -1.013 -21.960 10.615 1.00 0.00 C ATOM 858 C ASN A 805 -0.657 -21.160 9.341 1.00 0.00 C ATOM 859 O ASN A 805 -1.083 -20.011 9.169 1.00 0.00 O ATOM 860 CB ASN A 805 -2.151 -22.963 10.369 1.00 0.00 C ATOM 861 CG ASN A 805 -1.783 -24.139 9.462 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.621 -24.491 9.291 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.765 -24.788 8.869 1.00 0.00 N ATOM 0 H ASN A 805 -2.353 -21.183 12.028 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.108 -22.508 10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.486 -23.354 11.330 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -2.995 -22.433 9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.559 -25.585 8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.731 -24.493 9.013 1.00 0.00 H new ATOM 870 N ARG A 806 0.118 -21.757 8.433 1.00 0.00 N ATOM 871 CA ARG A 806 0.655 -21.133 7.212 1.00 0.00 C ATOM 872 C ARG A 806 0.300 -21.936 5.950 1.00 0.00 C ATOM 873 O ARG A 806 0.047 -23.143 6.019 1.00 0.00 O ATOM 874 CB ARG A 806 2.189 -21.026 7.341 1.00 0.00 C ATOM 875 CG ARG A 806 2.686 -20.111 8.482 1.00 0.00 C ATOM 876 CD ARG A 806 2.284 -18.637 8.342 1.00 0.00 C ATOM 877 NE ARG A 806 2.615 -18.085 7.017 1.00 0.00 N ATOM 878 CZ ARG A 806 3.696 -17.405 6.649 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.671 -17.088 7.475 1.00 0.00 N ATOM 880 NH2 ARG A 806 3.799 -17.006 5.405 1.00 0.00 N ATOM 0 H ARG A 806 0.404 -22.732 8.529 1.00 0.00 H new ATOM 0 HA ARG A 806 0.206 -20.145 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.596 -22.025 7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.593 -20.658 6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.300 -20.491 9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.773 -20.174 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 806 1.213 -18.538 8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.787 -18.052 9.112 1.00 0.00 H new ATOM 0 HE ARG A 806 1.923 -18.246 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.620 -17.366 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.477 -16.564 7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.057 -17.219 4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 806 4.621 -16.483 5.104 1.00 0.00 H new ATOM 894 N THR A 807 0.337 -21.275 4.789 1.00 0.00 N ATOM 895 CA THR A 807 0.229 -21.890 3.452 1.00 0.00 C ATOM 896 C THR A 807 0.863 -21.001 2.384 1.00 0.00 C ATOM 897 O THR A 807 1.236 -19.856 2.641 1.00 0.00 O ATOM 898 CB THR A 807 -1.220 -22.303 3.132 1.00 0.00 C ATOM 899 OG1 THR A 807 -1.191 -23.219 2.063 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.125 -21.145 2.733 1.00 0.00 C ATOM 0 H THR A 807 0.447 -20.262 4.747 1.00 0.00 H new ATOM 0 HA THR A 807 0.803 -22.817 3.453 1.00 0.00 H new ATOM 0 HB THR A 807 -1.633 -22.728 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.934 -23.032 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 807 -3.127 -21.521 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.171 -20.422 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.726 -20.662 1.841 1.00 0.00 H new ATOM 908 N ILE A 808 1.012 -21.545 1.182 1.00 0.00 N ATOM 909 CA ILE A 808 1.704 -20.949 0.033 1.00 0.00 C ATOM 910 C ILE A 808 0.947 -21.349 -1.248 1.00 0.00 C ATOM 911 O ILE A 808 0.459 -22.477 -1.354 1.00 0.00 O ATOM 912 CB ILE A 808 3.188 -21.418 -0.025 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.902 -21.427 1.355 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.980 -20.530 -1.007 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.346 -21.948 1.326 1.00 0.00 C ATOM 0 H ILE A 808 0.633 -22.467 0.965 1.00 0.00 H new ATOM 0 HA ILE A 808 1.715 -19.863 0.129 1.00 0.00 H new ATOM 0 HB ILE A 808 3.164 -22.452 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.904 -20.413 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.322 -22.040 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.017 -20.863 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.540 -20.605 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.943 -19.494 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.764 -21.918 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.355 -22.975 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.946 -21.322 0.665 1.00 0.00 H new ATOM 927 N SER A 809 0.855 -20.455 -2.231 1.00 0.00 N ATOM 928 CA SER A 809 0.176 -20.725 -3.511 1.00 0.00 C ATOM 929 C SER A 809 0.704 -19.847 -4.653 1.00 0.00 C ATOM 930 O SER A 809 1.466 -18.903 -4.448 1.00 0.00 O ATOM 931 CB SER A 809 -1.347 -20.556 -3.335 1.00 0.00 C ATOM 932 OG SER A 809 -2.062 -21.007 -4.484 1.00 0.00 O ATOM 0 H SER A 809 1.249 -19.516 -2.168 1.00 0.00 H new ATOM 0 HA SER A 809 0.393 -21.755 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.677 -21.114 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.578 -19.507 -3.151 1.00 0.00 H new ATOM 0 HG SER A 809 -3.024 -20.887 -4.339 1.00 0.00 H new ATOM 938 N LEU A 810 0.296 -20.185 -5.875 1.00 0.00 N ATOM 939 CA LEU A 810 0.658 -19.508 -7.114 1.00 0.00 C ATOM 940 C LEU A 810 -0.435 -18.513 -7.555 1.00 0.00 C ATOM 941 O LEU A 810 -0.211 -17.711 -8.463 1.00 0.00 O ATOM 942 CB LEU A 810 0.926 -20.587 -8.187 1.00 0.00 C ATOM 943 CG LEU A 810 2.070 -21.594 -7.922 1.00 0.00 C ATOM 944 CD1 LEU A 810 3.386 -20.900 -7.549 1.00 0.00 C ATOM 945 CD2 LEU A 810 1.745 -22.704 -6.910 1.00 0.00 C ATOM 0 H LEU A 810 -0.326 -20.978 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 810 1.559 -18.913 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.006 -21.154 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.137 -20.079 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 810 2.192 -22.095 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 810 4.156 -21.651 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 810 3.696 -20.246 -8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 810 3.242 -20.309 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 810 2.611 -23.356 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 810 1.497 -22.257 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 810 0.897 -23.287 -7.269 1.00 0.00 H new ATOM 957 N ASP A 811 -1.608 -18.544 -6.914 1.00 0.00 N ATOM 958 CA ASP A 811 -2.728 -17.620 -7.120 1.00 0.00 C ATOM 959 C ASP A 811 -2.730 -16.492 -6.064 1.00 0.00 C ATOM 960 O ASP A 811 -2.017 -16.561 -5.057 1.00 0.00 O ATOM 961 CB ASP A 811 -4.047 -18.413 -7.093 1.00 0.00 C ATOM 962 CG ASP A 811 -5.228 -17.622 -7.670 1.00 0.00 C ATOM 963 OD1 ASP A 811 -5.325 -17.509 -8.915 1.00 0.00 O ATOM 964 OD2 ASP A 811 -6.036 -17.086 -6.881 1.00 0.00 O ATOM 0 H ASP A 811 -1.812 -19.247 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.619 -17.140 -8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.922 -19.336 -7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.274 -18.698 -6.066 1.00 0.00 H new ATOM 969 N ARG A 812 -3.567 -15.468 -6.262 1.00 0.00 N ATOM 970 CA ARG A 812 -3.713 -14.330 -5.343 1.00 0.00 C ATOM 971 C ARG A 812 -4.320 -14.682 -3.970 1.00 0.00 C ATOM 972 O ARG A 812 -4.228 -13.861 -3.052 1.00 0.00 O ATOM 973 CB ARG A 812 -4.430 -13.154 -6.047 1.00 0.00 C ATOM 974 CG ARG A 812 -5.750 -13.441 -6.792 1.00 0.00 C ATOM 975 CD ARG A 812 -6.938 -13.952 -5.959 1.00 0.00 C ATOM 976 NE ARG A 812 -7.350 -12.990 -4.922 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.453 -13.061 -4.187 1.00 0.00 C ATOM 978 NH1 ARG A 812 -9.308 -14.054 -4.307 1.00 0.00 N ATOM 979 NH2 ARG A 812 -8.709 -12.131 -3.295 1.00 0.00 N ATOM 0 H ARG A 812 -4.174 -15.404 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.703 -14.007 -5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.632 -12.390 -5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.732 -12.720 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -6.060 -12.524 -7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -5.544 -14.176 -7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -7.781 -14.154 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.668 -14.897 -5.488 1.00 0.00 H new ATOM 0 HE ARG A 812 -6.731 -12.197 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -9.132 -14.800 -4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -10.146 -14.078 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -8.060 -11.354 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -9.557 -12.186 -2.730 1.00 0.00 H new ATOM 993 N LEU A 813 -4.882 -15.885 -3.811 1.00 0.00 N ATOM 994 CA LEU A 813 -5.427 -16.448 -2.565 1.00 0.00 C ATOM 995 C LEU A 813 -5.404 -17.995 -2.669 1.00 0.00 C ATOM 996 O LEU A 813 -5.714 -18.516 -3.746 1.00 0.00 O ATOM 997 CB LEU A 813 -6.850 -15.882 -2.360 1.00 0.00 C ATOM 998 CG LEU A 813 -7.460 -16.083 -0.954 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.774 -15.193 0.101 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.951 -15.743 -0.982 1.00 0.00 C ATOM 0 H LEU A 813 -4.975 -16.532 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.831 -16.171 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.830 -14.814 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.513 -16.344 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.308 -17.127 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.232 -15.364 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.713 -15.439 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.891 -14.145 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.376 -15.887 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -9.082 -14.704 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.460 -16.395 -1.692 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.032 -18.740 -1.607 1.00 0.00 N ATOM 1013 CA PRO A 814 -4.880 -20.193 -1.665 1.00 0.00 C ATOM 1014 C PRO A 814 -6.231 -20.897 -1.795 1.00 0.00 C ATOM 1015 O PRO A 814 -7.263 -20.392 -1.358 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.136 -20.591 -0.390 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.554 -19.500 0.589 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.615 -18.267 -0.299 1.00 0.00 C ATOM 0 HA PRO A 814 -4.319 -20.499 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.428 -21.582 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.056 -20.611 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.518 -19.716 1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.833 -19.382 1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.321 -17.536 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.644 -17.776 -0.353 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.217 -22.082 -2.412 1.00 0.00 N ATOM 1027 CA LYS A 815 -7.418 -22.833 -2.795 1.00 0.00 C ATOM 1028 C LYS A 815 -8.026 -23.732 -1.698 1.00 0.00 C ATOM 1029 O LYS A 815 -9.202 -24.101 -1.793 1.00 0.00 O ATOM 1030 CB LYS A 815 -7.114 -23.647 -4.076 1.00 0.00 C ATOM 1031 CG LYS A 815 -6.271 -24.931 -3.912 1.00 0.00 C ATOM 1032 CD LYS A 815 -4.818 -24.716 -3.461 1.00 0.00 C ATOM 1033 CE LYS A 815 -4.085 -26.063 -3.410 1.00 0.00 C ATOM 1034 NZ LYS A 815 -2.644 -25.891 -3.099 1.00 0.00 N ATOM 0 H LYS A 815 -5.351 -22.557 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.193 -22.088 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -8.064 -23.922 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -6.599 -22.992 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -6.765 -25.579 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -6.263 -25.463 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -4.310 -24.041 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -4.798 -24.244 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -4.547 -26.700 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -4.193 -26.573 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -2.103 -26.675 -3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -2.309 -24.989 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -2.509 -25.889 -2.068 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.237 -24.132 -0.691 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.574 -25.210 0.264 1.00 0.00 C ATOM 1050 C LYS A 816 -7.816 -24.727 1.710 1.00 0.00 C ATOM 1051 O LYS A 816 -7.401 -23.632 2.095 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.538 -26.351 0.133 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.054 -26.036 0.411 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.692 -25.938 1.897 1.00 0.00 C ATOM 1055 CE LYS A 816 -3.168 -25.969 2.065 1.00 0.00 C ATOM 1056 NZ LYS A 816 -2.770 -25.843 3.488 1.00 0.00 N ATOM 0 H LYS A 816 -6.327 -23.710 -0.509 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.550 -25.611 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.839 -27.151 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.608 -26.747 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.439 -26.809 -0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -4.798 -25.094 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -5.095 -25.017 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.144 -26.764 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -2.776 -26.901 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -2.722 -25.158 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -1.733 -25.868 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.123 -24.942 3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -3.175 -26.631 4.033 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.495 -25.537 2.520 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.820 -25.238 3.922 1.00 0.00 C ATOM 1072 C HIS A 817 -7.607 -25.427 4.862 1.00 0.00 C ATOM 1073 O HIS A 817 -6.623 -26.087 4.507 1.00 0.00 O ATOM 1074 CB HIS A 817 -9.992 -26.127 4.360 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.291 -25.829 3.651 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -11.765 -26.418 2.500 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.244 -24.931 4.052 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -12.962 -25.877 2.210 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.298 -24.952 3.131 1.00 0.00 N ATOM 0 H HIS A 817 -8.846 -26.445 2.215 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.101 -24.187 3.992 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -9.727 -27.170 4.187 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.141 -26.010 5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -12.191 -24.309 4.933 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -13.569 -26.146 1.358 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -14.145 -24.385 3.152 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.682 -24.870 6.077 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.663 -25.010 7.112 1.00 0.00 C ATOM 1089 C CYS A 818 -6.469 -26.477 7.541 1.00 0.00 C ATOM 1090 O CYS A 818 -7.428 -27.207 7.808 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.062 -24.108 8.281 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.788 -24.142 9.584 1.00 0.00 S ATOM 0 H CYS A 818 -8.473 -24.297 6.370 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.693 -24.700 6.724 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.201 -23.086 7.928 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.017 -24.436 8.691 1.00 0.00 H new ATOM 1097 N SER A 819 -5.213 -26.905 7.640 1.00 0.00 N ATOM 1098 CA SER A 819 -4.813 -28.230 8.128 1.00 0.00 C ATOM 1099 C SER A 819 -4.782 -28.338 9.668 1.00 0.00 C ATOM 1100 O SER A 819 -4.624 -29.446 10.191 1.00 0.00 O ATOM 1101 CB SER A 819 -3.440 -28.577 7.533 1.00 0.00 C ATOM 1102 OG SER A 819 -2.508 -27.510 7.690 1.00 0.00 O ATOM 0 H SER A 819 -4.418 -26.324 7.375 1.00 0.00 H new ATOM 0 HA SER A 819 -5.568 -28.945 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.051 -29.473 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.551 -28.809 6.474 1.00 0.00 H new ATOM 0 HG SER A 819 -2.208 -27.472 8.622 1.00 0.00 H new ATOM 1108 N THR A 820 -4.933 -27.211 10.391 1.00 0.00 N ATOM 1109 CA THR A 820 -4.859 -27.135 11.862 1.00 0.00 C ATOM 1110 C THR A 820 -6.241 -26.965 12.502 1.00 0.00 C ATOM 1111 O THR A 820 -6.500 -27.634 13.501 1.00 0.00 O ATOM 1112 CB THR A 820 -3.894 -26.019 12.283 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.603 -26.360 11.822 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.778 -25.845 13.801 1.00 0.00 C ATOM 0 H THR A 820 -5.114 -26.306 9.957 1.00 0.00 H new ATOM 0 HA THR A 820 -4.469 -28.084 12.230 1.00 0.00 H new ATOM 0 HB THR A 820 -4.284 -25.093 11.861 1.00 0.00 H new ATOM 0 HG1 THR A 820 -1.968 -25.659 12.079 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.079 -25.039 14.022 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.756 -25.601 14.215 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.416 -26.772 14.247 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.131 -26.133 11.939 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.469 -25.862 12.497 1.00 0.00 C ATOM 1124 C CYS A 821 -9.668 -26.071 11.534 1.00 0.00 C ATOM 1125 O CYS A 821 -10.813 -26.155 11.990 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.478 -24.473 13.158 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.420 -23.094 11.963 1.00 0.00 S ATOM 0 H CYS A 821 -6.942 -25.624 11.076 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.639 -26.633 13.248 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.376 -24.376 13.768 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.625 -24.395 13.832 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.415 -26.216 10.228 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.371 -26.730 9.235 1.00 0.00 C ATOM 1134 C GLY A 822 -11.199 -25.678 8.487 1.00 0.00 C ATOM 1135 O GLY A 822 -11.897 -26.035 7.536 1.00 0.00 O ATOM 0 H GLY A 822 -8.513 -25.972 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -9.820 -27.318 8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.057 -27.411 9.739 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.144 -24.403 8.887 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.870 -23.308 8.224 1.00 0.00 C ATOM 1141 C LEU A 823 -11.082 -22.674 7.050 1.00 0.00 C ATOM 1142 O LEU A 823 -10.045 -23.192 6.628 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.367 -22.301 9.293 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.332 -21.675 10.253 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.151 -20.978 9.550 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.042 -20.648 11.151 1.00 0.00 C ATOM 0 H LEU A 823 -10.590 -24.097 9.687 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.752 -23.715 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.871 -21.487 8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.119 -22.806 9.900 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.909 -22.502 10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.473 -20.567 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.616 -21.701 8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.527 -20.172 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.319 -20.200 11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.487 -19.870 10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.823 -21.146 11.726 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.579 -21.551 6.528 1.00 0.00 N ATOM 1159 CA PHE A 824 -10.951 -20.752 5.471 1.00 0.00 C ATOM 1160 C PHE A 824 -10.963 -19.261 5.860 1.00 0.00 C ATOM 1161 O PHE A 824 -11.994 -18.591 5.771 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.703 -21.020 4.158 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.016 -20.481 2.926 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -11.260 -19.163 2.492 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -10.147 -21.310 2.187 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -10.641 -18.679 1.325 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -9.533 -20.825 1.020 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.773 -19.508 0.590 1.00 0.00 C ATOM 0 H PHE A 824 -12.466 -21.156 6.842 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.906 -21.032 5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -11.837 -22.096 4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.698 -20.580 4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -11.923 -18.523 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -9.953 -22.319 2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -10.832 -17.669 0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -8.875 -21.466 0.452 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.293 -19.134 -0.302 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.814 -18.755 6.328 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.612 -17.378 6.834 1.00 0.00 C ATOM 1180 C LYS A 825 -8.199 -16.835 6.501 1.00 0.00 C ATOM 1181 O LYS A 825 -7.610 -16.050 7.251 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.914 -17.320 8.353 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.389 -17.496 8.752 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.277 -16.327 8.297 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.758 -16.545 8.651 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.374 -17.601 7.805 1.00 0.00 N ATOM 0 H LYS A 825 -8.960 -19.312 6.369 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.315 -16.722 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.329 -18.094 8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.566 -16.361 8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.768 -18.423 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.457 -17.597 9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.927 -15.405 8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.179 -16.197 7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.844 -16.823 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -14.305 -15.611 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.178 -17.201 7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.668 -17.963 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.707 -18.379 8.409 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.629 -17.278 5.375 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.275 -16.921 4.939 1.00 0.00 C ATOM 1202 C TRP A 826 -6.101 -15.413 4.664 1.00 0.00 C ATOM 1203 O TRP A 826 -6.950 -14.780 4.032 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.918 -17.738 3.692 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.935 -19.225 3.867 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.807 -20.074 3.282 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -5.031 -20.065 4.645 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.484 -21.375 3.607 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.408 -21.430 4.464 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.912 -19.813 5.470 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.721 -22.486 5.081 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.227 -20.865 6.106 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.633 -22.200 5.925 1.00 0.00 C ATOM 0 H TRP A 826 -8.106 -17.907 4.729 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.595 -17.158 5.757 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.615 -17.476 2.896 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.924 -17.441 3.357 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.634 -19.778 2.653 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.980 -22.194 3.256 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.577 -18.797 5.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -5.024 -23.508 4.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.381 -20.645 6.740 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -3.113 -23.000 6.431 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.968 -14.859 5.102 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.526 -13.485 4.852 1.00 0.00 C ATOM 1226 C GLU A 827 -3.129 -13.509 4.212 1.00 0.00 C ATOM 1227 O GLU A 827 -2.273 -14.290 4.628 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.486 -12.739 6.200 1.00 0.00 C ATOM 1229 CG GLU A 827 -4.055 -11.270 6.111 1.00 0.00 C ATOM 1230 CD GLU A 827 -5.063 -10.407 5.337 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -4.951 -10.313 4.089 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.972 -9.815 5.970 1.00 0.00 O ATOM 0 H GLU A 827 -4.301 -15.383 5.669 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.210 -12.977 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.476 -12.785 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.803 -13.263 6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.935 -10.868 7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -3.081 -11.209 5.625 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.879 -12.638 3.225 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.565 -12.453 2.593 1.00 0.00 C ATOM 1241 C ARG A 828 -0.557 -11.889 3.611 1.00 0.00 C ATOM 1242 O ARG A 828 -0.833 -10.886 4.267 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.709 -11.501 1.389 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.423 -11.333 0.551 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.144 -12.510 -0.397 1.00 0.00 C ATOM 1246 NE ARG A 828 -1.113 -12.550 -1.507 1.00 0.00 N ATOM 1247 CZ ARG A 828 -1.140 -11.760 -2.575 1.00 0.00 C ATOM 1248 NH1 ARG A 828 -0.192 -10.884 -2.833 1.00 0.00 N ATOM 1249 NH2 ARG A 828 -2.158 -11.824 -3.401 1.00 0.00 N ATOM 0 H ARG A 828 -3.599 -12.030 2.835 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.192 -13.416 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.504 -11.871 0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.023 -10.522 1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.499 -10.417 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.425 -11.212 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.866 -12.425 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.188 -13.446 0.160 1.00 0.00 H new ATOM 0 HE ARG A 828 -1.842 -13.261 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 828 0.603 -10.792 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 828 -0.253 -10.297 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 828 -2.921 -12.477 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 828 -2.186 -11.221 -4.223 1.00 0.00 H new ATOM 1263 N VAL A 829 0.627 -12.497 3.708 1.00 0.00 N ATOM 1264 CA VAL A 829 1.717 -12.096 4.622 1.00 0.00 C ATOM 1265 C VAL A 829 3.096 -12.258 3.944 1.00 0.00 C ATOM 1266 O VAL A 829 3.174 -12.569 2.756 1.00 0.00 O ATOM 1267 CB VAL A 829 1.665 -12.885 5.959 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.421 -12.559 6.807 1.00 0.00 C ATOM 1269 CG2 VAL A 829 1.765 -14.400 5.740 1.00 0.00 C ATOM 0 H VAL A 829 0.869 -13.308 3.138 1.00 0.00 H new ATOM 0 HA VAL A 829 1.572 -11.041 4.856 1.00 0.00 H new ATOM 0 HB VAL A 829 2.540 -12.554 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.445 -13.143 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.415 -11.497 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.479 -12.807 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 829 1.724 -14.910 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 829 0.935 -14.733 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 829 2.707 -14.635 5.244 1.00 0.00 H new ATOM 1279 N GLY A 830 4.182 -12.065 4.701 1.00 0.00 N ATOM 1280 CA GLY A 830 5.563 -12.306 4.256 1.00 0.00 C ATOM 1281 C GLY A 830 5.972 -13.779 4.242 1.00 0.00 C ATOM 1282 O GLY A 830 5.137 -14.689 4.286 1.00 0.00 O ATOM 0 H GLY A 830 4.126 -11.729 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.685 -11.898 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 830 6.243 -11.758 4.908 1.00 0.00 H new ATOM 1286 N MET A 831 7.284 -14.011 4.159 1.00 0.00 N ATOM 1287 CA MET A 831 7.888 -15.344 3.998 1.00 0.00 C ATOM 1288 C MET A 831 7.769 -16.216 5.266 1.00 0.00 C ATOM 1289 O MET A 831 7.055 -15.887 6.224 1.00 0.00 O ATOM 1290 CB MET A 831 9.346 -15.171 3.518 1.00 0.00 C ATOM 1291 CG MET A 831 9.713 -16.198 2.437 1.00 0.00 C ATOM 1292 SD MET A 831 11.472 -16.195 1.988 1.00 0.00 S ATOM 1293 CE MET A 831 12.167 -17.070 3.409 1.00 0.00 C ATOM 0 H MET A 831 7.976 -13.263 4.202 1.00 0.00 H new ATOM 0 HA MET A 831 7.331 -15.896 3.241 1.00 0.00 H new ATOM 0 HB2 MET A 831 9.483 -14.164 3.125 1.00 0.00 H new ATOM 0 HB3 MET A 831 10.023 -15.277 4.365 1.00 0.00 H new ATOM 0 HG2 MET A 831 9.439 -17.193 2.787 1.00 0.00 H new ATOM 0 HG3 MET A 831 9.120 -15.999 1.544 1.00 0.00 H new ATOM 0 HE1 MET A 831 13.028 -16.520 3.789 1.00 0.00 H new ATOM 0 HE2 MET A 831 11.413 -17.150 4.192 1.00 0.00 H new ATOM 0 HE3 MET A 831 12.480 -18.069 3.104 1.00 0.00 H new ATOM 1303 N LEU A 832 8.457 -17.362 5.286 1.00 0.00 N ATOM 1304 CA LEU A 832 8.451 -18.310 6.396 1.00 0.00 C ATOM 1305 C LEU A 832 9.455 -17.876 7.477 1.00 0.00 C ATOM 1306 O LEU A 832 10.557 -17.414 7.170 1.00 0.00 O ATOM 1307 CB LEU A 832 8.755 -19.732 5.878 1.00 0.00 C ATOM 1308 CG LEU A 832 7.768 -20.353 4.861 1.00 0.00 C ATOM 1309 CD1 LEU A 832 6.292 -20.158 5.255 1.00 0.00 C ATOM 1310 CD2 LEU A 832 7.997 -19.833 3.435 1.00 0.00 C ATOM 0 H LEU A 832 9.047 -17.660 4.509 1.00 0.00 H new ATOM 0 HA LEU A 832 7.461 -18.322 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 832 9.744 -19.718 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 832 8.812 -20.398 6.739 1.00 0.00 H new ATOM 0 HG LEU A 832 7.979 -21.422 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 832 5.651 -20.616 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 832 6.108 -20.627 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 832 6.071 -19.093 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 832 7.280 -20.298 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 832 7.864 -18.751 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 832 9.010 -20.080 3.116 1.00 0.00 H new ATOM 1322 N LYS A 833 9.071 -18.033 8.744 1.00 0.00 N ATOM 1323 CA LYS A 833 9.903 -17.726 9.915 1.00 0.00 C ATOM 1324 C LYS A 833 10.474 -19.008 10.541 1.00 0.00 C ATOM 1325 O LYS A 833 9.729 -19.923 10.914 1.00 0.00 O ATOM 1326 CB LYS A 833 9.081 -16.913 10.937 1.00 0.00 C ATOM 1327 CG LYS A 833 8.593 -15.549 10.414 1.00 0.00 C ATOM 1328 CD LYS A 833 9.695 -14.548 10.023 1.00 0.00 C ATOM 1329 CE LYS A 833 10.600 -14.190 11.211 1.00 0.00 C ATOM 1330 NZ LYS A 833 11.619 -13.182 10.837 1.00 0.00 N ATOM 0 H LYS A 833 8.148 -18.387 8.994 1.00 0.00 H new ATOM 0 HA LYS A 833 10.753 -17.123 9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 833 8.217 -17.503 11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 833 9.688 -16.752 11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 833 7.959 -15.720 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 833 7.967 -15.091 11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 833 10.300 -14.971 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 833 9.237 -13.640 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 833 9.991 -13.806 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 833 11.095 -15.090 11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 833 12.212 -12.965 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 833 12.215 -13.558 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 833 11.146 -12.314 10.512 1.00 0.00 H new ATOM 1344 N GLU A 834 11.797 -19.053 10.658 1.00 0.00 N ATOM 1345 CA GLU A 834 12.588 -20.146 11.236 1.00 0.00 C ATOM 1346 C GLU A 834 13.813 -19.583 11.970 1.00 0.00 C ATOM 1347 O GLU A 834 14.397 -18.576 11.558 1.00 0.00 O ATOM 1348 CB GLU A 834 13.070 -21.113 10.142 1.00 0.00 C ATOM 1349 CG GLU A 834 11.939 -21.870 9.437 1.00 0.00 C ATOM 1350 CD GLU A 834 12.502 -22.899 8.444 1.00 0.00 C ATOM 1351 OE1 GLU A 834 12.749 -22.541 7.267 1.00 0.00 O ATOM 1352 OE2 GLU A 834 12.696 -24.080 8.825 1.00 0.00 O ATOM 0 H GLU A 834 12.385 -18.285 10.334 1.00 0.00 H new ATOM 0 HA GLU A 834 11.949 -20.684 11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 834 13.636 -20.552 9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 834 13.755 -21.835 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 834 11.318 -22.375 10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 834 11.297 -21.164 8.910 1.00 0.00 H new ATOM 1359 N LYS A 835 14.234 -20.235 13.059 1.00 0.00 N ATOM 1360 CA LYS A 835 15.430 -19.866 13.822 1.00 0.00 C ATOM 1361 C LYS A 835 16.737 -20.110 13.026 1.00 0.00 C ATOM 1362 O LYS A 835 16.864 -21.121 12.322 1.00 0.00 O ATOM 1363 CB LYS A 835 15.388 -20.593 15.182 1.00 0.00 C ATOM 1364 CG LYS A 835 15.431 -22.133 15.086 1.00 0.00 C ATOM 1365 CD LYS A 835 15.176 -22.752 16.465 1.00 0.00 C ATOM 1366 CE LYS A 835 15.282 -24.278 16.388 1.00 0.00 C ATOM 1367 NZ LYS A 835 15.011 -24.908 17.705 1.00 0.00 N ATOM 0 H LYS A 835 13.746 -21.046 13.440 1.00 0.00 H new ATOM 0 HA LYS A 835 15.430 -18.792 14.008 1.00 0.00 H new ATOM 0 HB2 LYS A 835 16.230 -20.256 15.786 1.00 0.00 H new ATOM 0 HB3 LYS A 835 14.480 -20.300 15.709 1.00 0.00 H new ATOM 0 HG2 LYS A 835 14.680 -22.482 14.377 1.00 0.00 H new ATOM 0 HG3 LYS A 835 16.401 -22.455 14.708 1.00 0.00 H new ATOM 0 HD2 LYS A 835 15.898 -22.366 17.184 1.00 0.00 H new ATOM 0 HD3 LYS A 835 14.187 -22.467 16.822 1.00 0.00 H new ATOM 0 HE2 LYS A 835 14.575 -24.656 15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 835 16.279 -24.558 16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 835 15.091 -25.941 17.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 835 15.702 -24.565 18.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 835 14.051 -24.660 18.017 1.00 0.00 H new ATOM 1381 N THR A 836 17.705 -19.191 13.156 1.00 0.00 N ATOM 1382 CA THR A 836 18.992 -19.138 12.436 1.00 0.00 C ATOM 1383 C THR A 836 19.907 -18.066 13.051 1.00 0.00 C ATOM 1384 O THR A 836 19.499 -17.343 13.966 1.00 0.00 O ATOM 1385 CB THR A 836 18.771 -18.967 10.918 1.00 0.00 C ATOM 1386 OG1 THR A 836 19.970 -19.248 10.233 1.00 0.00 O ATOM 1387 CG2 THR A 836 18.289 -17.570 10.515 1.00 0.00 C ATOM 0 H THR A 836 17.606 -18.413 13.808 1.00 0.00 H new ATOM 0 HA THR A 836 19.510 -20.090 12.554 1.00 0.00 H new ATOM 0 HB THR A 836 17.981 -19.667 10.646 1.00 0.00 H new ATOM 0 HG1 THR A 836 19.829 -19.141 9.269 1.00 0.00 H new ATOM 0 HG21 THR A 836 18.157 -17.529 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 836 17.339 -17.357 11.005 1.00 0.00 H new ATOM 0 HG23 THR A 836 19.028 -16.828 10.819 1.00 0.00 H new ATOM 1395 N GLY A 837 21.147 -17.972 12.569 1.00 0.00 N ATOM 1396 CA GLY A 837 22.174 -17.033 13.043 1.00 0.00 C ATOM 1397 C GLY A 837 22.047 -15.613 12.457 1.00 0.00 C ATOM 1398 O GLY A 837 21.022 -15.283 11.847 1.00 0.00 O ATOM 0 H GLY A 837 21.479 -18.567 11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 837 22.121 -16.972 14.130 1.00 0.00 H new ATOM 0 HA3 GLY A 837 23.158 -17.431 12.793 1.00 0.00 H new ATOM 1402 N PRO A 838 23.084 -14.766 12.620 1.00 0.00 N ATOM 1403 CA PRO A 838 23.104 -13.387 12.121 1.00 0.00 C ATOM 1404 C PRO A 838 23.295 -13.276 10.595 1.00 0.00 C ATOM 1405 O PRO A 838 23.204 -12.173 10.058 1.00 0.00 O ATOM 1406 CB PRO A 838 24.246 -12.709 12.883 1.00 0.00 C ATOM 1407 CG PRO A 838 25.226 -13.851 13.137 1.00 0.00 C ATOM 1408 CD PRO A 838 24.301 -15.041 13.376 1.00 0.00 C ATOM 0 HA PRO A 838 22.140 -12.908 12.292 1.00 0.00 H new ATOM 0 HB2 PRO A 838 24.702 -11.911 12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 838 23.899 -12.263 13.815 1.00 0.00 H new ATOM 0 HG2 PRO A 838 25.885 -14.016 12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 838 25.863 -13.654 13.999 1.00 0.00 H new ATOM 0 HD2 PRO A 838 24.766 -15.969 13.042 1.00 0.00 H new ATOM 0 HD3 PRO A 838 24.082 -15.158 14.437 1.00 0.00 H new ATOM 1416 N LYS A 839 23.526 -14.393 9.890 1.00 0.00 N ATOM 1417 CA LYS A 839 23.627 -14.466 8.423 1.00 0.00 C ATOM 1418 C LYS A 839 23.133 -15.819 7.867 1.00 0.00 C ATOM 1419 O LYS A 839 23.168 -16.837 8.568 1.00 0.00 O ATOM 1420 CB LYS A 839 25.062 -14.117 7.965 1.00 0.00 C ATOM 1421 CG LYS A 839 26.134 -15.219 8.092 1.00 0.00 C ATOM 1422 CD LYS A 839 26.461 -15.639 9.533 1.00 0.00 C ATOM 1423 CE LYS A 839 27.619 -16.649 9.531 1.00 0.00 C ATOM 1424 NZ LYS A 839 27.961 -17.106 10.905 1.00 0.00 N ATOM 0 H LYS A 839 23.652 -15.300 10.339 1.00 0.00 H new ATOM 0 HA LYS A 839 22.956 -13.718 8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 839 25.017 -13.809 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 839 25.398 -13.252 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 839 25.799 -16.097 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 839 27.050 -14.872 7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 839 26.731 -14.764 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 839 25.582 -16.081 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 839 27.349 -17.510 8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 839 28.496 -16.194 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 28.747 -17.786 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 28.244 -16.289 11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 27.132 -17.563 11.335 1.00 0.00 H new ATOM 1438 N LEU A 840 22.679 -15.829 6.609 1.00 0.00 N ATOM 1439 CA LEU A 840 22.201 -17.029 5.903 1.00 0.00 C ATOM 1440 C LEU A 840 23.348 -17.940 5.435 1.00 0.00 C ATOM 1441 O LEU A 840 24.509 -17.520 5.372 1.00 0.00 O ATOM 1442 CB LEU A 840 21.194 -16.632 4.796 1.00 0.00 C ATOM 1443 CG LEU A 840 21.669 -15.971 3.480 1.00 0.00 C ATOM 1444 CD1 LEU A 840 22.548 -14.728 3.680 1.00 0.00 C ATOM 1445 CD2 LEU A 840 22.359 -16.947 2.515 1.00 0.00 C ATOM 0 H LEU A 840 22.631 -14.985 6.038 1.00 0.00 H new ATOM 0 HA LEU A 840 21.653 -17.654 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 840 20.651 -17.536 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 840 20.472 -15.953 5.251 1.00 0.00 H new ATOM 0 HG LEU A 840 20.737 -15.641 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 840 22.837 -14.327 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 840 21.990 -13.973 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 840 23.442 -15.001 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 840 22.665 -16.414 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 840 23.237 -17.377 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 840 21.666 -17.744 2.246 1.00 0.00 H new ATOM 1457 N GLY A 841 23.014 -19.189 5.092 1.00 0.00 N ATOM 1458 CA GLY A 841 23.959 -20.192 4.583 1.00 0.00 C ATOM 1459 C GLY A 841 24.812 -20.849 5.677 1.00 0.00 C ATOM 1460 O GLY A 841 24.499 -20.765 6.869 1.00 0.00 O ATOM 0 H GLY A 841 22.059 -19.539 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 841 23.403 -20.966 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 841 24.619 -19.720 3.855 1.00 0.00 H new ATOM 1464 N GLY A 842 25.880 -21.527 5.257 1.00 0.00 N ATOM 1465 CA GLY A 842 26.831 -22.232 6.136 1.00 0.00 C ATOM 1466 C GLY A 842 27.902 -22.997 5.358 1.00 0.00 C ATOM 1467 O GLY A 842 28.875 -22.354 4.904 1.00 0.00 O ATOM 1468 OXT GLY A 842 27.756 -24.229 5.190 1.00 0.00 O ATOM 0 H GLY A 842 26.120 -21.607 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 842 27.313 -21.510 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 842 26.284 -22.928 6.772 1.00 0.00 H new TER 1472 GLY A 842 HETATM 1473 ZN ZN A 843 -2.190 -35.948 -10.796 1.00 0.00 ZN HETATM 1474 ZN ZN A 844 -6.315 -22.323 11.078 1.00 0.00 ZN