USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 579 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 Set 1.1: A 801 CYS SG : rot 150:sc= -0.929 USER MOD Set 1.2: A 803 CYS SG : rot -76:sc= 0.421 USER MOD Set 1.3: A 805 ASN : amide:sc= 2.11 K(o=5.1,f=1.1) USER MOD Set 1.4: A 818 CYS SG : rot 139:sc= 2.81 USER MOD Set 1.5: A 819 SER OG : rot 180:sc= 0.502 USER MOD Set 1.6: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 1.7: A 821 CYS SG : rot -45:sc= 0.204 USER MOD Set 2.1: A 775 HIS : no HE2:sc= 0.0286 K(o=-0.073,f=-4.8!) USER MOD Set 2.2: A 815 LYS NZ :NH3+ 180:sc= -0.101 (180deg=0) USER MOD Set 3.1: A 768 CYS SG : rot 168:sc= -0.151 USER MOD Set 3.2: A 771 CYS SG : rot 80:sc= 0.107 USER MOD Set 3.3: A 773 TYR OH : rot -168:sc= 0.723 USER MOD Set 3.4: A 782 CYS SG : rot -63:sc= 0.87 USER MOD Set 3.5: A 787 HIS : no HD1:sc= 0.316 K(o=1.9,f=0.54) USER MOD Set 4.1: A 767 THR OG1 : rot -73:sc= 0.483 USER MOD Set 4.2: A 774 THR OG1 : rot 180:sc= 0.448 USER MOD Set 5.1: A 763 CYS SG : rot -67:sc= 0.253 USER MOD Set 5.2: A 796 LYS NZ :NH3+ -161:sc= 0.138 (180deg=0) USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.888) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.0266 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= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 792 HIS : no HE2:sc= -0.0277 X(o=-0.028,f=-0.22) USER MOD Single : A 793 ASN : amide:sc= 0.781 K(o=0.78,f=-3.7!) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 807 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 809 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 816 LYS NZ :NH3+ -178:sc= 0.999 (180deg=0.994) USER MOD Single : A 817 HIS : no HE2:sc= 0.63 K(o=0.63,f=-2!) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N ARG A 759 7.616 -9.213 -1.299 1.00 0.00 N ATOM 113 CA ARG A 759 7.420 -10.408 -0.456 1.00 0.00 C ATOM 114 C ARG A 759 6.934 -11.655 -1.224 1.00 0.00 C ATOM 115 O ARG A 759 5.895 -12.252 -0.920 1.00 0.00 O ATOM 116 CB ARG A 759 6.515 -10.060 0.735 1.00 0.00 C ATOM 117 CG ARG A 759 5.140 -9.488 0.337 1.00 0.00 C ATOM 118 CD ARG A 759 4.196 -9.417 1.535 1.00 0.00 C ATOM 119 NE ARG A 759 2.946 -8.709 1.214 1.00 0.00 N ATOM 120 CZ ARG A 759 1.868 -8.652 1.991 1.00 0.00 C ATOM 121 NH1 ARG A 759 1.836 -9.214 3.186 1.00 0.00 N ATOM 122 NH2 ARG A 759 0.787 -8.029 1.575 1.00 0.00 N ATOM 0 HA ARG A 759 8.402 -10.699 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 759 6.363 -10.957 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 759 7.028 -9.336 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.268 -8.492 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 759 4.697 -10.110 -0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 759 3.964 -10.427 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 759 4.697 -8.912 2.361 1.00 0.00 H new ATOM 0 HE ARG A 759 2.903 -8.221 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 759 2.654 -9.710 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 759 0.993 -9.151 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 759 0.774 -7.589 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -0.039 -7.986 2.172 1.00 0.00 H new ATOM 136 N GLU A 760 7.684 -12.045 -2.242 1.00 0.00 N ATOM 137 CA GLU A 760 7.454 -13.145 -3.186 1.00 0.00 C ATOM 138 C GLU A 760 8.728 -13.420 -4.007 1.00 0.00 C ATOM 139 O GLU A 760 9.664 -12.617 -4.021 1.00 0.00 O ATOM 140 CB GLU A 760 6.223 -12.887 -4.076 1.00 0.00 C ATOM 141 CG GLU A 760 6.218 -11.528 -4.790 1.00 0.00 C ATOM 142 CD GLU A 760 4.958 -11.347 -5.656 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.841 -11.703 -5.208 1.00 0.00 O ATOM 144 OE2 GLU A 760 5.085 -10.829 -6.791 1.00 0.00 O ATOM 0 H GLU A 760 8.554 -11.557 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 760 7.228 -14.046 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.163 -13.676 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.326 -12.962 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.270 -10.728 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 760 7.106 -11.442 -5.416 1.00 0.00 H new ATOM 151 N GLN A 761 8.783 -14.576 -4.680 1.00 0.00 N ATOM 152 CA GLN A 761 9.983 -15.055 -5.369 1.00 0.00 C ATOM 153 C GLN A 761 9.634 -15.967 -6.544 1.00 0.00 C ATOM 154 O GLN A 761 8.712 -16.780 -6.476 1.00 0.00 O ATOM 155 CB GLN A 761 10.912 -15.765 -4.364 1.00 0.00 C ATOM 156 CG GLN A 761 10.324 -17.057 -3.775 1.00 0.00 C ATOM 157 CD GLN A 761 11.187 -17.632 -2.655 1.00 0.00 C ATOM 158 OE1 GLN A 761 11.844 -18.656 -2.794 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.215 -17.001 -1.499 1.00 0.00 N ATOM 0 H GLN A 761 7.988 -15.209 -4.761 1.00 0.00 H new ATOM 0 HA GLN A 761 10.508 -14.195 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.854 -15.999 -4.859 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.142 -15.078 -3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.323 -16.856 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.219 -17.799 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.672 -16.147 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.780 -17.366 -0.732 1.00 0.00 H new ATOM 168 N SER A 762 10.393 -15.850 -7.634 1.00 0.00 N ATOM 169 CA SER A 762 10.253 -16.719 -8.803 1.00 0.00 C ATOM 170 C SER A 762 10.728 -18.150 -8.508 1.00 0.00 C ATOM 171 O SER A 762 11.717 -18.368 -7.800 1.00 0.00 O ATOM 172 CB SER A 762 10.980 -16.116 -10.015 1.00 0.00 C ATOM 173 OG SER A 762 12.327 -15.733 -9.726 1.00 0.00 O ATOM 0 H SER A 762 11.125 -15.147 -7.731 1.00 0.00 H new ATOM 0 HA SER A 762 9.193 -16.785 -9.047 1.00 0.00 H new ATOM 0 HB2 SER A 762 10.981 -16.841 -10.829 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.428 -15.244 -10.366 1.00 0.00 H new ATOM 0 HG SER A 762 12.741 -15.358 -10.532 1.00 0.00 H new ATOM 179 N CYS A 763 10.027 -19.144 -9.065 1.00 0.00 N ATOM 180 CA CYS A 763 10.250 -20.569 -8.789 1.00 0.00 C ATOM 181 C CYS A 763 9.792 -21.448 -9.962 1.00 0.00 C ATOM 182 O CYS A 763 8.922 -21.057 -10.742 1.00 0.00 O ATOM 183 CB CYS A 763 9.503 -20.907 -7.485 1.00 0.00 C ATOM 184 SG CYS A 763 9.886 -22.582 -6.888 1.00 0.00 S ATOM 0 H CYS A 763 9.274 -18.978 -9.733 1.00 0.00 H new ATOM 0 HA CYS A 763 11.314 -20.772 -8.669 1.00 0.00 H new ATOM 0 HB2 CYS A 763 9.768 -20.180 -6.717 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.429 -20.819 -7.650 1.00 0.00 H new ATOM 0 HG CYS A 763 9.399 -23.459 -7.715 1.00 0.00 H new ATOM 190 N ARG A 764 10.372 -22.641 -10.068 1.00 0.00 N ATOM 191 CA ARG A 764 9.913 -23.681 -10.996 1.00 0.00 C ATOM 192 C ARG A 764 8.601 -24.305 -10.481 1.00 0.00 C ATOM 193 O ARG A 764 8.413 -24.475 -9.272 1.00 0.00 O ATOM 194 CB ARG A 764 11.048 -24.692 -11.250 1.00 0.00 C ATOM 195 CG ARG A 764 10.660 -25.835 -12.207 1.00 0.00 C ATOM 196 CD ARG A 764 11.751 -26.191 -13.222 1.00 0.00 C ATOM 197 NE ARG A 764 11.885 -25.166 -14.273 1.00 0.00 N ATOM 198 CZ ARG A 764 12.618 -25.272 -15.376 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.325 -26.348 -15.652 1.00 0.00 N ATOM 200 NH2 ARG A 764 12.646 -24.274 -16.230 1.00 0.00 N ATOM 0 H ARG A 764 11.180 -22.919 -9.510 1.00 0.00 H new ATOM 0 HA ARG A 764 9.672 -23.253 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 764 11.908 -24.163 -11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.362 -25.119 -10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 764 10.420 -26.722 -11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 764 9.755 -25.554 -12.745 1.00 0.00 H new ATOM 0 HD2 ARG A 764 12.703 -26.306 -12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.519 -27.152 -13.681 1.00 0.00 H new ATOM 0 HE ARG A 764 11.368 -24.297 -14.141 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.322 -27.139 -15.008 1.00 0.00 H new ATOM 0 HH12 ARG A 764 13.875 -26.391 -16.510 1.00 0.00 H new ATOM 0 HH21 ARG A 764 12.108 -23.428 -16.043 1.00 0.00 H new ATOM 0 HH22 ARG A 764 13.206 -24.345 -17.080 1.00 0.00 H new ATOM 214 N VAL A 765 7.689 -24.603 -11.406 1.00 0.00 N ATOM 215 CA VAL A 765 6.320 -25.097 -11.182 1.00 0.00 C ATOM 216 C VAL A 765 5.957 -26.185 -12.201 1.00 0.00 C ATOM 217 O VAL A 765 6.607 -26.325 -13.235 1.00 0.00 O ATOM 218 CB VAL A 765 5.271 -23.954 -11.242 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.335 -23.038 -10.013 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.411 -23.087 -12.505 1.00 0.00 C ATOM 0 H VAL A 765 7.895 -24.501 -12.400 1.00 0.00 H new ATOM 0 HA VAL A 765 6.300 -25.522 -10.179 1.00 0.00 H new ATOM 0 HB VAL A 765 4.306 -24.461 -11.264 1.00 0.00 H new ATOM 0 HG11 VAL A 765 4.582 -22.255 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.145 -23.623 -9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.324 -22.584 -9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.653 -22.304 -12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.402 -22.633 -12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 765 5.278 -23.709 -13.390 1.00 0.00 H new ATOM 230 N VAL A 766 4.906 -26.945 -11.898 1.00 0.00 N ATOM 231 CA VAL A 766 4.384 -28.065 -12.689 1.00 0.00 C ATOM 232 C VAL A 766 2.856 -27.975 -12.800 1.00 0.00 C ATOM 233 O VAL A 766 2.189 -27.634 -11.819 1.00 0.00 O ATOM 234 CB VAL A 766 4.807 -29.416 -12.062 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.277 -29.637 -10.635 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.404 -30.621 -12.924 1.00 0.00 C ATOM 0 H VAL A 766 4.364 -26.790 -11.048 1.00 0.00 H new ATOM 0 HA VAL A 766 4.806 -28.007 -13.692 1.00 0.00 H new ATOM 0 HB VAL A 766 5.894 -29.347 -12.014 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.617 -30.605 -10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.651 -28.849 -9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.187 -29.614 -10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.726 -31.541 -12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.321 -30.635 -13.047 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.879 -30.544 -13.902 1.00 0.00 H new ATOM 246 N THR A 767 2.313 -28.316 -13.973 1.00 0.00 N ATOM 247 CA THR A 767 0.882 -28.531 -14.206 1.00 0.00 C ATOM 248 C THR A 767 0.645 -30.007 -14.498 1.00 0.00 C ATOM 249 O THR A 767 1.133 -30.508 -15.512 1.00 0.00 O ATOM 250 CB THR A 767 0.377 -27.682 -15.381 1.00 0.00 C ATOM 251 OG1 THR A 767 0.625 -26.317 -15.134 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.130 -27.839 -15.602 1.00 0.00 C ATOM 0 H THR A 767 2.875 -28.454 -14.813 1.00 0.00 H new ATOM 0 HA THR A 767 0.332 -28.230 -13.314 1.00 0.00 H new ATOM 0 HB THR A 767 0.910 -28.030 -16.266 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.009 -25.992 -14.444 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.441 -27.220 -16.443 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.360 -28.883 -15.816 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.664 -27.526 -14.705 1.00 0.00 H new ATOM 260 N CYS A 768 -0.127 -30.681 -13.643 1.00 0.00 N ATOM 261 CA CYS A 768 -0.642 -32.028 -13.905 1.00 0.00 C ATOM 262 C CYS A 768 -1.781 -31.939 -14.937 1.00 0.00 C ATOM 263 O CYS A 768 -2.768 -31.226 -14.741 1.00 0.00 O ATOM 264 CB CYS A 768 -1.098 -32.683 -12.587 1.00 0.00 C ATOM 265 SG CYS A 768 -1.584 -34.430 -12.851 1.00 0.00 S ATOM 0 H CYS A 768 -0.415 -30.304 -12.740 1.00 0.00 H new ATOM 0 HA CYS A 768 0.142 -32.660 -14.322 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.292 -32.633 -11.855 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.939 -32.127 -12.173 1.00 0.00 H new ATOM 0 HG CYS A 768 -1.721 -35.021 -11.701 1.00 0.00 H new ATOM 270 N LYS A 769 -1.653 -32.652 -16.055 1.00 0.00 N ATOM 271 CA LYS A 769 -2.662 -32.682 -17.117 1.00 0.00 C ATOM 272 C LYS A 769 -3.817 -33.655 -16.810 1.00 0.00 C ATOM 273 O LYS A 769 -4.891 -33.529 -17.411 1.00 0.00 O ATOM 274 CB LYS A 769 -1.974 -33.023 -18.453 1.00 0.00 C ATOM 275 CG LYS A 769 -0.870 -32.039 -18.887 1.00 0.00 C ATOM 276 CD LYS A 769 -1.375 -30.597 -19.070 1.00 0.00 C ATOM 277 CE LYS A 769 -0.251 -29.721 -19.640 1.00 0.00 C ATOM 278 NZ LYS A 769 -0.732 -28.351 -19.951 1.00 0.00 N ATOM 0 H LYS A 769 -0.838 -33.232 -16.253 1.00 0.00 H new ATOM 0 HA LYS A 769 -3.119 -31.695 -17.185 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.541 -34.021 -18.377 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.732 -33.063 -19.235 1.00 0.00 H new ATOM 0 HG2 LYS A 769 -0.074 -32.046 -18.142 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -0.433 -32.385 -19.824 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -2.234 -30.585 -19.741 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -1.712 -30.196 -18.114 1.00 0.00 H new ATOM 0 HE2 LYS A 769 0.568 -29.666 -18.923 1.00 0.00 H new ATOM 0 HE3 LYS A 769 0.148 -30.182 -20.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 0.053 -27.786 -20.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -1.497 -28.403 -20.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -1.089 -27.903 -19.083 1.00 0.00 H new ATOM 292 N THR A 770 -3.633 -34.595 -15.873 1.00 0.00 N ATOM 293 CA THR A 770 -4.659 -35.571 -15.457 1.00 0.00 C ATOM 294 C THR A 770 -5.634 -34.961 -14.444 1.00 0.00 C ATOM 295 O THR A 770 -6.837 -35.188 -14.570 1.00 0.00 O ATOM 296 CB THR A 770 -3.996 -36.841 -14.910 1.00 0.00 C ATOM 297 OG1 THR A 770 -3.118 -37.347 -15.900 1.00 0.00 O ATOM 298 CG2 THR A 770 -5.020 -37.936 -14.594 1.00 0.00 C ATOM 0 H THR A 770 -2.752 -34.703 -15.371 1.00 0.00 H new ATOM 0 HA THR A 770 -5.245 -35.847 -16.334 1.00 0.00 H new ATOM 0 HB THR A 770 -3.475 -36.577 -13.990 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.683 -38.160 -15.567 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.505 -38.816 -14.209 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.723 -37.571 -13.845 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.562 -38.201 -15.502 1.00 0.00 H new ATOM 306 N CYS A 771 -5.141 -34.159 -13.489 1.00 0.00 N ATOM 307 CA CYS A 771 -5.955 -33.508 -12.445 1.00 0.00 C ATOM 308 C CYS A 771 -6.249 -32.012 -12.711 1.00 0.00 C ATOM 309 O CYS A 771 -7.143 -31.441 -12.079 1.00 0.00 O ATOM 310 CB CYS A 771 -5.234 -33.658 -11.097 1.00 0.00 C ATOM 311 SG CYS A 771 -4.874 -35.394 -10.642 1.00 0.00 S ATOM 0 H CYS A 771 -4.148 -33.939 -13.417 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.924 -34.007 -12.443 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.299 -33.100 -11.132 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.846 -33.207 -10.316 1.00 0.00 H new ATOM 0 HG CYS A 771 -3.817 -35.800 -11.281 1.00 0.00 H new ATOM 316 N LYS A 772 -5.496 -31.375 -13.618 1.00 0.00 N ATOM 317 CA LYS A 772 -5.657 -29.996 -14.111 1.00 0.00 C ATOM 318 C LYS A 772 -5.258 -28.912 -13.067 1.00 0.00 C ATOM 319 O LYS A 772 -5.709 -27.766 -13.161 1.00 0.00 O ATOM 320 CB LYS A 772 -7.056 -29.762 -14.736 1.00 0.00 C ATOM 321 CG LYS A 772 -7.388 -30.597 -15.992 1.00 0.00 C ATOM 322 CD LYS A 772 -7.728 -32.072 -15.730 1.00 0.00 C ATOM 323 CE LYS A 772 -8.412 -32.750 -16.930 1.00 0.00 C ATOM 324 NZ LYS A 772 -7.556 -32.777 -18.145 1.00 0.00 N ATOM 0 H LYS A 772 -4.702 -31.840 -14.059 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.936 -29.877 -14.919 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.810 -29.970 -13.977 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.145 -28.706 -14.993 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -8.231 -30.133 -16.504 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.538 -30.553 -16.672 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -6.814 -32.613 -15.486 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.381 -32.140 -14.860 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -8.681 -33.771 -16.659 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -9.340 -32.225 -17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -7.939 -33.465 -18.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -7.541 -31.833 -18.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -6.588 -33.052 -17.882 1.00 0.00 H new ATOM 338 N TYR A 773 -4.424 -29.250 -12.073 1.00 0.00 N ATOM 339 CA TYR A 773 -3.864 -28.295 -11.087 1.00 0.00 C ATOM 340 C TYR A 773 -2.430 -27.851 -11.429 1.00 0.00 C ATOM 341 O TYR A 773 -1.683 -28.601 -12.064 1.00 0.00 O ATOM 342 CB TYR A 773 -3.942 -28.857 -9.652 1.00 0.00 C ATOM 343 CG TYR A 773 -2.912 -29.916 -9.277 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.602 -29.549 -8.891 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.281 -31.272 -9.252 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.649 -30.533 -8.551 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.345 -32.256 -8.878 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.018 -31.896 -8.544 1.00 0.00 C ATOM 349 OH TYR A 773 -0.104 -32.850 -8.219 1.00 0.00 O ATOM 0 H TYR A 773 -4.110 -30.209 -11.923 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.488 -27.403 -11.140 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.845 -28.025 -8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -4.935 -29.281 -9.506 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.328 -28.505 -8.856 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.286 -31.561 -9.521 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.360 -30.244 -8.297 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.643 -33.294 -8.846 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.460 -33.735 -8.445 1.00 0.00 H new ATOM 359 N THR A 774 -2.030 -26.670 -10.925 1.00 0.00 N ATOM 360 CA THR A 774 -0.658 -26.130 -10.995 1.00 0.00 C ATOM 361 C THR A 774 -0.115 -25.892 -9.588 1.00 0.00 C ATOM 362 O THR A 774 -0.785 -25.281 -8.758 1.00 0.00 O ATOM 363 CB THR A 774 -0.624 -24.828 -11.808 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.171 -25.087 -13.084 1.00 0.00 O ATOM 365 CG2 THR A 774 0.803 -24.310 -12.012 1.00 0.00 C ATOM 0 H THR A 774 -2.673 -26.043 -10.441 1.00 0.00 H new ATOM 0 HA THR A 774 -0.026 -26.861 -11.499 1.00 0.00 H new ATOM 0 HB THR A 774 -1.190 -24.076 -11.258 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.159 -24.265 -13.618 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.776 -23.388 -12.592 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.261 -24.115 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.389 -25.058 -12.547 1.00 0.00 H new ATOM 373 N HIS A 775 1.108 -26.353 -9.329 1.00 0.00 N ATOM 374 CA HIS A 775 1.846 -26.193 -8.065 1.00 0.00 C ATOM 375 C HIS A 775 3.376 -26.284 -8.290 1.00 0.00 C ATOM 376 O HIS A 775 3.829 -26.426 -9.428 1.00 0.00 O ATOM 377 CB HIS A 775 1.327 -27.205 -7.012 1.00 0.00 C ATOM 378 CG HIS A 775 0.476 -26.551 -5.947 1.00 0.00 C ATOM 379 ND1 HIS A 775 0.913 -25.791 -4.884 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.890 -26.584 -5.872 1.00 0.00 C ATOM 381 CE1 HIS A 775 -0.164 -25.385 -4.189 1.00 0.00 C ATOM 382 NE2 HIS A 775 -1.298 -25.843 -4.756 1.00 0.00 N ATOM 0 H HIS A 775 1.642 -26.874 -10.025 1.00 0.00 H new ATOM 0 HA HIS A 775 1.661 -25.194 -7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.745 -27.978 -7.513 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.176 -27.700 -6.540 1.00 0.00 H new ATOM 0 HD1 HIS A 775 1.885 -25.574 -4.663 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.545 -27.097 -6.560 1.00 0.00 H new ATOM 0 HE1 HIS A 775 -0.126 -24.775 -3.298 1.00 0.00 H new ATOM 390 N PHE A 776 4.176 -26.190 -7.223 1.00 0.00 N ATOM 391 CA PHE A 776 5.651 -26.173 -7.283 1.00 0.00 C ATOM 392 C PHE A 776 6.255 -27.521 -7.728 1.00 0.00 C ATOM 393 O PHE A 776 7.304 -27.557 -8.377 1.00 0.00 O ATOM 394 CB PHE A 776 6.213 -25.762 -5.908 1.00 0.00 C ATOM 395 CG PHE A 776 5.336 -24.797 -5.125 1.00 0.00 C ATOM 396 CD1 PHE A 776 5.176 -23.464 -5.558 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.606 -25.261 -4.011 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.286 -22.610 -4.886 1.00 0.00 C ATOM 399 CE2 PHE A 776 3.726 -24.401 -3.334 1.00 0.00 C ATOM 400 CZ PHE A 776 3.563 -23.082 -3.780 1.00 0.00 C ATOM 0 H PHE A 776 3.814 -26.122 -6.272 1.00 0.00 H new ATOM 0 HA PHE A 776 5.937 -25.445 -8.042 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.365 -26.660 -5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 776 7.192 -25.306 -6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.738 -23.100 -6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 776 4.724 -26.281 -3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.158 -21.591 -5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.177 -24.754 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.876 -22.424 -3.269 1.00 0.00 H new ATOM 410 N LYS A 777 5.591 -28.629 -7.379 1.00 0.00 N ATOM 411 CA LYS A 777 6.015 -30.019 -7.618 1.00 0.00 C ATOM 412 C LYS A 777 4.816 -31.001 -7.549 1.00 0.00 C ATOM 413 O LYS A 777 3.817 -30.674 -6.889 1.00 0.00 O ATOM 414 CB LYS A 777 7.139 -30.382 -6.623 1.00 0.00 C ATOM 415 CG LYS A 777 6.674 -30.404 -5.158 1.00 0.00 C ATOM 416 CD LYS A 777 7.872 -30.698 -4.257 1.00 0.00 C ATOM 417 CE LYS A 777 7.446 -30.741 -2.786 1.00 0.00 C ATOM 418 NZ LYS A 777 8.598 -31.032 -1.893 1.00 0.00 N ATOM 0 H LYS A 777 4.694 -28.580 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 777 6.411 -30.109 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.542 -31.361 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.952 -29.664 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 777 6.229 -29.446 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 777 5.904 -31.163 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 777 8.320 -31.651 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 777 8.635 -29.933 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 777 7.000 -29.786 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 777 6.678 -31.503 -2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 8.274 -31.054 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 9.007 -31.955 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 9.320 -30.291 -2.005 1.00 0.00 H new ATOM 432 N PRO A 778 4.872 -32.177 -8.215 1.00 0.00 N ATOM 433 CA PRO A 778 3.754 -33.110 -8.273 1.00 0.00 C ATOM 434 C PRO A 778 3.648 -33.904 -6.971 1.00 0.00 C ATOM 435 O PRO A 778 4.652 -34.150 -6.300 1.00 0.00 O ATOM 436 CB PRO A 778 4.030 -34.005 -9.488 1.00 0.00 C ATOM 437 CG PRO A 778 5.557 -34.041 -9.563 1.00 0.00 C ATOM 438 CD PRO A 778 5.984 -32.679 -9.017 1.00 0.00 C ATOM 0 HA PRO A 778 2.795 -32.604 -8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.611 -35.002 -9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.593 -33.593 -10.398 1.00 0.00 H new ATOM 0 HG2 PRO A 778 5.967 -34.857 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 778 5.903 -34.188 -10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.886 -32.771 -8.412 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.215 -31.992 -9.831 1.00 0.00 H new ATOM 446 N LYS A 779 2.429 -34.321 -6.618 1.00 0.00 N ATOM 447 CA LYS A 779 2.166 -35.140 -5.428 1.00 0.00 C ATOM 448 C LYS A 779 2.746 -36.560 -5.553 1.00 0.00 C ATOM 449 O LYS A 779 2.914 -37.090 -6.658 1.00 0.00 O ATOM 450 CB LYS A 779 0.651 -35.201 -5.167 1.00 0.00 C ATOM 451 CG LYS A 779 0.092 -33.850 -4.692 1.00 0.00 C ATOM 452 CD LYS A 779 -1.410 -33.903 -4.373 1.00 0.00 C ATOM 453 CE LYS A 779 -2.252 -34.188 -5.623 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.697 -34.259 -5.308 1.00 0.00 N ATOM 0 H LYS A 779 1.589 -34.099 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 779 2.667 -34.667 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.138 -35.504 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.443 -35.963 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.636 -33.530 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.268 -33.099 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.595 -34.676 -3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.721 -32.955 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.079 -33.407 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -1.931 -35.128 -6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.233 -34.453 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -3.865 -35.021 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.009 -33.353 -4.904 1.00 0.00 H new ATOM 468 N GLU A 780 2.985 -37.214 -4.419 1.00 0.00 N ATOM 469 CA GLU A 780 3.470 -38.604 -4.392 1.00 0.00 C ATOM 470 C GLU A 780 2.492 -39.588 -5.056 1.00 0.00 C ATOM 471 O GLU A 780 2.930 -40.541 -5.700 1.00 0.00 O ATOM 472 CB GLU A 780 3.837 -39.034 -2.960 1.00 0.00 C ATOM 473 CG GLU A 780 2.656 -39.097 -1.978 1.00 0.00 C ATOM 474 CD GLU A 780 3.141 -39.461 -0.566 1.00 0.00 C ATOM 475 OE1 GLU A 780 3.264 -40.669 -0.252 1.00 0.00 O ATOM 476 OE2 GLU A 780 3.389 -38.537 0.248 1.00 0.00 O ATOM 0 H GLU A 780 2.851 -36.804 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 780 4.379 -38.635 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 780 4.309 -40.016 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 780 4.580 -38.340 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 780 2.144 -38.135 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 780 1.931 -39.836 -2.320 1.00 0.00 H new ATOM 483 N THR A 781 1.185 -39.310 -4.983 1.00 0.00 N ATOM 484 CA THR A 781 0.122 -40.029 -5.700 1.00 0.00 C ATOM 485 C THR A 781 0.240 -39.819 -7.205 1.00 0.00 C ATOM 486 O THR A 781 0.207 -40.799 -7.949 1.00 0.00 O ATOM 487 CB THR A 781 -1.263 -39.590 -5.196 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.316 -38.180 -5.075 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.548 -40.189 -3.814 1.00 0.00 C ATOM 0 H THR A 781 0.825 -38.552 -4.403 1.00 0.00 H new ATOM 0 HA THR A 781 0.239 -41.094 -5.499 1.00 0.00 H new ATOM 0 HB THR A 781 -2.003 -39.939 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.203 -37.912 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.532 -39.867 -3.474 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.524 -41.277 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 781 -0.791 -39.849 -3.107 1.00 0.00 H new ATOM 497 N CYS A 782 0.457 -38.585 -7.665 1.00 0.00 N ATOM 498 CA CYS A 782 0.630 -38.256 -9.083 1.00 0.00 C ATOM 499 C CYS A 782 1.889 -38.912 -9.674 1.00 0.00 C ATOM 500 O CYS A 782 1.847 -39.451 -10.782 1.00 0.00 O ATOM 501 CB CYS A 782 0.668 -36.727 -9.242 1.00 0.00 C ATOM 502 SG CYS A 782 -0.965 -36.006 -8.871 1.00 0.00 S ATOM 0 H CYS A 782 0.519 -37.772 -7.053 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.216 -38.656 -9.642 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.419 -36.305 -8.574 1.00 0.00 H new ATOM 0 HB3 CYS A 782 0.964 -36.468 -10.259 1.00 0.00 H new ATOM 0 HG CYS A 782 -1.838 -36.446 -9.728 1.00 0.00 H new ATOM 507 N VAL A 783 2.994 -38.913 -8.927 1.00 0.00 N ATOM 508 CA VAL A 783 4.243 -39.580 -9.322 1.00 0.00 C ATOM 509 C VAL A 783 4.091 -41.111 -9.313 1.00 0.00 C ATOM 510 O VAL A 783 4.527 -41.769 -10.255 1.00 0.00 O ATOM 511 CB VAL A 783 5.429 -39.135 -8.438 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.728 -39.889 -8.770 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.710 -37.632 -8.630 1.00 0.00 C ATOM 0 H VAL A 783 3.051 -38.447 -8.021 1.00 0.00 H new ATOM 0 HA VAL A 783 4.461 -39.274 -10.345 1.00 0.00 H new ATOM 0 HB VAL A 783 5.138 -39.357 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.529 -39.538 -8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.578 -40.958 -8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 783 6.999 -39.707 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.548 -37.335 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 783 5.954 -37.438 -9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.826 -37.058 -8.352 1.00 0.00 H new ATOM 523 N SER A 784 3.448 -41.697 -8.297 1.00 0.00 N ATOM 524 CA SER A 784 3.292 -43.155 -8.176 1.00 0.00 C ATOM 525 C SER A 784 2.296 -43.748 -9.192 1.00 0.00 C ATOM 526 O SER A 784 2.568 -44.794 -9.790 1.00 0.00 O ATOM 527 CB SER A 784 2.867 -43.502 -6.740 1.00 0.00 C ATOM 528 OG SER A 784 2.874 -44.907 -6.517 1.00 0.00 O ATOM 0 H SER A 784 3.019 -41.175 -7.533 1.00 0.00 H new ATOM 0 HA SER A 784 4.258 -43.605 -8.404 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.541 -43.017 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 784 1.869 -43.108 -6.550 1.00 0.00 H new ATOM 0 HG SER A 784 2.601 -45.093 -5.595 1.00 0.00 H new ATOM 534 N GLU A 785 1.178 -43.063 -9.459 1.00 0.00 N ATOM 535 CA GLU A 785 0.186 -43.442 -10.483 1.00 0.00 C ATOM 536 C GLU A 785 0.611 -43.029 -11.908 1.00 0.00 C ATOM 537 O GLU A 785 -0.100 -43.319 -12.874 1.00 0.00 O ATOM 538 CB GLU A 785 -1.192 -42.851 -10.129 1.00 0.00 C ATOM 539 CG GLU A 785 -1.797 -43.393 -8.823 1.00 0.00 C ATOM 540 CD GLU A 785 -2.127 -44.889 -8.906 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.131 -45.258 -9.567 1.00 0.00 O ATOM 542 OE2 GLU A 785 -1.405 -45.714 -8.295 1.00 0.00 O ATOM 0 H GLU A 785 0.928 -42.209 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 785 0.122 -44.530 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.100 -41.768 -10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.883 -43.054 -10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.098 -43.223 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.704 -42.836 -8.588 1.00 0.00 H new ATOM 549 N ASN A 786 1.754 -42.343 -12.053 1.00 0.00 N ATOM 550 CA ASN A 786 2.365 -41.948 -13.329 1.00 0.00 C ATOM 551 C ASN A 786 1.476 -40.989 -14.156 1.00 0.00 C ATOM 552 O ASN A 786 1.285 -41.177 -15.361 1.00 0.00 O ATOM 553 CB ASN A 786 2.831 -43.183 -14.130 1.00 0.00 C ATOM 554 CG ASN A 786 3.709 -44.143 -13.333 1.00 0.00 C ATOM 555 OD1 ASN A 786 3.391 -45.315 -13.151 1.00 0.00 O ATOM 556 ND2 ASN A 786 4.848 -43.693 -12.832 1.00 0.00 N ATOM 0 H ASN A 786 2.301 -42.035 -11.249 1.00 0.00 H new ATOM 0 HA ASN A 786 3.256 -41.367 -13.090 1.00 0.00 H new ATOM 0 HB2 ASN A 786 1.955 -43.722 -14.490 1.00 0.00 H new ATOM 0 HB3 ASN A 786 3.382 -42.847 -15.009 1.00 0.00 H new ATOM 0 HD21 ASN A 786 5.453 -44.318 -12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 786 5.121 -42.721 -12.978 1.00 0.00 H new ATOM 563 N HIS A 787 0.905 -39.966 -13.507 1.00 0.00 N ATOM 564 CA HIS A 787 0.162 -38.882 -14.170 1.00 0.00 C ATOM 565 C HIS A 787 1.066 -38.128 -15.161 1.00 0.00 C ATOM 566 O HIS A 787 2.290 -38.093 -15.012 1.00 0.00 O ATOM 567 CB HIS A 787 -0.451 -37.924 -13.130 1.00 0.00 C ATOM 568 CG HIS A 787 -1.627 -38.468 -12.338 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.468 -37.744 -11.490 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.070 -39.768 -12.361 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.397 -38.615 -11.028 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.173 -39.839 -11.537 1.00 0.00 N ATOM 0 H HIS A 787 0.946 -39.865 -12.493 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.657 -39.324 -14.737 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.331 -37.632 -12.428 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.772 -37.018 -13.644 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.635 -40.583 -12.921 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.199 -38.363 -10.350 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.724 -40.676 -11.346 1.00 0.00 H new ATOM 580 N ASP A 788 0.453 -37.518 -16.178 1.00 0.00 N ATOM 581 CA ASP A 788 1.141 -36.675 -17.161 1.00 0.00 C ATOM 582 C ASP A 788 1.277 -35.237 -16.637 1.00 0.00 C ATOM 583 O ASP A 788 0.316 -34.703 -16.081 1.00 0.00 O ATOM 584 CB ASP A 788 0.350 -36.698 -18.479 1.00 0.00 C ATOM 585 CG ASP A 788 1.084 -35.986 -19.626 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.285 -36.277 -19.846 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.454 -35.148 -20.316 1.00 0.00 O ATOM 0 H ASP A 788 -0.550 -37.596 -16.345 1.00 0.00 H new ATOM 0 HA ASP A 788 2.145 -37.063 -17.334 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.157 -37.732 -18.764 1.00 0.00 H new ATOM 0 HB3 ASP A 788 -0.619 -36.224 -18.324 1.00 0.00 H new ATOM 592 N PHE A 789 2.434 -34.598 -16.832 1.00 0.00 N ATOM 593 CA PHE A 789 2.666 -33.216 -16.402 1.00 0.00 C ATOM 594 C PHE A 789 3.615 -32.443 -17.324 1.00 0.00 C ATOM 595 O PHE A 789 4.517 -33.010 -17.943 1.00 0.00 O ATOM 596 CB PHE A 789 3.151 -33.122 -14.937 1.00 0.00 C ATOM 597 CG PHE A 789 3.572 -34.387 -14.209 1.00 0.00 C ATOM 598 CD1 PHE A 789 4.879 -34.891 -14.360 1.00 0.00 C ATOM 599 CD2 PHE A 789 2.691 -34.995 -13.295 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.296 -35.999 -13.601 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.117 -36.091 -12.523 1.00 0.00 C ATOM 602 CZ PHE A 789 4.419 -36.596 -12.677 1.00 0.00 C ATOM 0 H PHE A 789 3.237 -35.025 -17.293 1.00 0.00 H new ATOM 0 HA PHE A 789 1.688 -32.739 -16.468 1.00 0.00 H new ATOM 0 HB2 PHE A 789 3.997 -32.435 -14.916 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.352 -32.661 -14.357 1.00 0.00 H new ATOM 0 HD1 PHE A 789 5.560 -34.427 -15.058 1.00 0.00 H new ATOM 0 HD2 PHE A 789 1.685 -34.619 -13.186 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.293 -36.393 -13.728 1.00 0.00 H new ATOM 0 HE2 PHE A 789 2.443 -36.545 -11.812 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.746 -37.440 -12.088 1.00 0.00 H new ATOM 612 N HIS A 790 3.437 -31.122 -17.366 1.00 0.00 N ATOM 613 CA HIS A 790 4.359 -30.172 -17.994 1.00 0.00 C ATOM 614 C HIS A 790 4.946 -29.207 -16.948 1.00 0.00 C ATOM 615 O HIS A 790 4.219 -28.680 -16.103 1.00 0.00 O ATOM 616 CB HIS A 790 3.623 -29.377 -19.092 1.00 0.00 C ATOM 617 CG HIS A 790 3.383 -30.143 -20.373 1.00 0.00 C ATOM 618 ND1 HIS A 790 3.776 -29.748 -21.634 1.00 0.00 N ATOM 619 CD2 HIS A 790 2.727 -31.336 -20.525 1.00 0.00 C ATOM 620 CE1 HIS A 790 3.362 -30.677 -22.515 1.00 0.00 C ATOM 621 NE2 HIS A 790 2.710 -31.670 -21.887 1.00 0.00 N ATOM 0 H HIS A 790 2.623 -30.669 -16.952 1.00 0.00 H new ATOM 0 HA HIS A 790 5.180 -30.731 -18.443 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.663 -29.044 -18.698 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.201 -28.482 -19.323 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.294 -31.922 -19.728 1.00 0.00 H new ATOM 0 HE1 HIS A 790 3.531 -30.631 -23.581 1.00 0.00 H new ATOM 0 HE2 HIS A 790 2.290 -32.496 -22.313 1.00 0.00 H new ATOM 629 N TRP A 791 6.249 -28.939 -17.038 1.00 0.00 N ATOM 630 CA TRP A 791 6.981 -28.039 -16.137 1.00 0.00 C ATOM 631 C TRP A 791 7.286 -26.680 -16.789 1.00 0.00 C ATOM 632 O TRP A 791 7.488 -26.587 -18.000 1.00 0.00 O ATOM 633 CB TRP A 791 8.280 -28.721 -15.678 1.00 0.00 C ATOM 634 CG TRP A 791 8.118 -29.896 -14.758 1.00 0.00 C ATOM 635 CD1 TRP A 791 7.786 -31.158 -15.118 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.315 -29.943 -13.308 1.00 0.00 C ATOM 637 NE1 TRP A 791 7.778 -31.977 -14.009 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.121 -31.285 -12.866 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.646 -28.986 -12.325 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.278 -31.664 -11.525 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.791 -29.347 -10.974 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.615 -30.688 -10.574 1.00 0.00 C ATOM 0 H TRP A 791 6.843 -29.351 -17.758 1.00 0.00 H new ATOM 0 HA TRP A 791 6.345 -27.838 -15.275 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.826 -29.050 -16.562 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.901 -27.977 -15.179 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.561 -31.476 -16.125 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.547 -32.970 -14.031 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.791 -27.956 -12.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.141 -32.693 -11.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 9.038 -28.595 -10.240 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.739 -30.964 -9.537 1.00 0.00 H new ATOM 653 N HIS A 792 7.377 -25.630 -15.971 1.00 0.00 N ATOM 654 CA HIS A 792 7.700 -24.242 -16.351 1.00 0.00 C ATOM 655 C HIS A 792 8.078 -23.403 -15.103 1.00 0.00 C ATOM 656 O HIS A 792 8.286 -23.954 -14.022 1.00 0.00 O ATOM 657 CB HIS A 792 6.539 -23.630 -17.163 1.00 0.00 C ATOM 658 CG HIS A 792 5.272 -23.372 -16.382 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.785 -22.137 -16.002 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.365 -24.307 -15.966 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.610 -22.332 -15.376 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.304 -23.644 -15.334 1.00 0.00 N ATOM 0 H HIS A 792 7.219 -25.724 -14.968 1.00 0.00 H new ATOM 0 HA HIS A 792 8.577 -24.238 -16.998 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.877 -22.689 -17.597 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.306 -24.298 -17.992 1.00 0.00 H new ATOM 0 HD1 HIS A 792 5.236 -21.237 -16.167 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.451 -25.375 -16.101 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.996 -21.545 -14.964 1.00 0.00 H new ATOM 670 N ASN A 793 8.143 -22.073 -15.222 1.00 0.00 N ATOM 671 CA ASN A 793 8.412 -21.146 -14.110 1.00 0.00 C ATOM 672 C ASN A 793 7.218 -20.209 -13.822 1.00 0.00 C ATOM 673 O ASN A 793 6.436 -19.877 -14.718 1.00 0.00 O ATOM 674 CB ASN A 793 9.694 -20.354 -14.411 1.00 0.00 C ATOM 675 CG ASN A 793 10.935 -21.225 -14.241 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.264 -22.050 -15.084 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.643 -21.099 -13.133 1.00 0.00 N ATOM 0 H ASN A 793 8.007 -21.597 -16.114 1.00 0.00 H new ATOM 0 HA ASN A 793 8.556 -21.731 -13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.655 -19.967 -15.429 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.757 -19.493 -13.746 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.462 -21.688 -12.981 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.371 -20.413 -12.429 1.00 0.00 H new ATOM 684 N GLY A 794 7.095 -19.787 -12.557 1.00 0.00 N ATOM 685 CA GLY A 794 6.091 -18.860 -12.016 1.00 0.00 C ATOM 686 C GLY A 794 6.616 -18.079 -10.804 1.00 0.00 C ATOM 687 O GLY A 794 7.823 -17.863 -10.691 1.00 0.00 O ATOM 0 H GLY A 794 7.739 -20.106 -11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.789 -18.159 -12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.201 -19.419 -11.728 1.00 0.00 H new ATOM 691 N VAL A 795 5.726 -17.665 -9.902 1.00 0.00 N ATOM 692 CA VAL A 795 6.041 -16.902 -8.673 1.00 0.00 C ATOM 693 C VAL A 795 5.023 -17.210 -7.566 1.00 0.00 C ATOM 694 O VAL A 795 3.818 -17.277 -7.813 1.00 0.00 O ATOM 695 CB VAL A 795 6.166 -15.376 -8.928 1.00 0.00 C ATOM 696 CG1 VAL A 795 4.985 -14.797 -9.718 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.305 -14.551 -7.631 1.00 0.00 C ATOM 0 H VAL A 795 4.728 -17.853 -10.001 1.00 0.00 H new ATOM 0 HA VAL A 795 7.023 -17.232 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 795 7.079 -15.290 -9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.134 -13.727 -9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 795 4.921 -15.289 -10.689 1.00 0.00 H new ATOM 0 HG13 VAL A 795 4.061 -14.964 -9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.388 -13.493 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 795 5.427 -14.708 -7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.198 -14.868 -7.092 1.00 0.00 H new ATOM 707 N LYS A 796 5.534 -17.402 -6.342 1.00 0.00 N ATOM 708 CA LYS A 796 4.775 -17.900 -5.181 1.00 0.00 C ATOM 709 C LYS A 796 4.517 -16.838 -4.091 1.00 0.00 C ATOM 710 O LYS A 796 5.353 -15.966 -3.833 1.00 0.00 O ATOM 711 CB LYS A 796 5.493 -19.149 -4.641 1.00 0.00 C ATOM 712 CG LYS A 796 6.828 -18.838 -3.937 1.00 0.00 C ATOM 713 CD LYS A 796 7.845 -19.977 -4.071 1.00 0.00 C ATOM 714 CE LYS A 796 7.351 -21.279 -3.426 1.00 0.00 C ATOM 715 NZ LYS A 796 8.332 -22.386 -3.601 1.00 0.00 N ATOM 0 H LYS A 796 6.512 -17.211 -6.124 1.00 0.00 H new ATOM 0 HA LYS A 796 3.771 -18.164 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.834 -19.662 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.679 -19.836 -5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.252 -17.926 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.641 -18.645 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.053 -20.153 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.785 -19.678 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.174 -21.114 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.397 -21.565 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.856 -23.299 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.725 -22.352 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.101 -22.281 -2.909 1.00 0.00 H new ATOM 729 N ARG A 797 3.339 -16.932 -3.462 1.00 0.00 N ATOM 730 CA ARG A 797 2.780 -16.033 -2.439 1.00 0.00 C ATOM 731 C ARG A 797 2.553 -16.810 -1.121 1.00 0.00 C ATOM 732 O ARG A 797 2.193 -17.991 -1.160 1.00 0.00 O ATOM 733 CB ARG A 797 1.426 -15.444 -2.914 1.00 0.00 C ATOM 734 CG ARG A 797 1.124 -15.343 -4.419 1.00 0.00 C ATOM 735 CD ARG A 797 2.054 -14.453 -5.249 1.00 0.00 C ATOM 736 NE ARG A 797 1.727 -14.643 -6.670 1.00 0.00 N ATOM 737 CZ ARG A 797 1.867 -13.769 -7.657 1.00 0.00 C ATOM 738 NH1 ARG A 797 2.442 -12.599 -7.493 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.402 -14.089 -8.840 1.00 0.00 N ATOM 0 H ARG A 797 2.700 -17.699 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 797 3.488 -15.221 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.635 -16.042 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 797 1.344 -14.440 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.150 -16.348 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.105 -14.974 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.930 -13.407 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 797 3.096 -14.713 -5.061 1.00 0.00 H new ATOM 0 HE ARG A 797 1.348 -15.555 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 797 2.803 -12.332 -6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 797 2.528 -11.958 -8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 797 0.947 -14.991 -8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.495 -13.436 -9.618 1.00 0.00 H new ATOM 753 N PHE A 798 2.725 -16.152 0.027 1.00 0.00 N ATOM 754 CA PHE A 798 2.732 -16.785 1.353 1.00 0.00 C ATOM 755 C PHE A 798 1.517 -16.382 2.201 1.00 0.00 C ATOM 756 O PHE A 798 1.146 -15.203 2.239 1.00 0.00 O ATOM 757 CB PHE A 798 4.042 -16.423 2.070 1.00 0.00 C ATOM 758 CG PHE A 798 5.273 -16.577 1.196 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.749 -17.858 0.865 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.909 -15.437 0.671 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.855 -18.005 0.007 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.021 -15.581 -0.177 1.00 0.00 C ATOM 763 CZ PHE A 798 7.489 -16.864 -0.518 1.00 0.00 C ATOM 0 H PHE A 798 2.867 -15.143 0.065 1.00 0.00 H new ATOM 0 HA PHE A 798 2.666 -17.865 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.982 -15.393 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.151 -17.055 2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.264 -18.733 1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.543 -14.452 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.216 -18.991 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.517 -14.705 -0.568 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.334 -16.972 -1.182 1.00 0.00 H new ATOM 773 N PHE A 799 0.922 -17.349 2.914 1.00 0.00 N ATOM 774 CA PHE A 799 -0.335 -17.175 3.650 1.00 0.00 C ATOM 775 C PHE A 799 -0.289 -17.728 5.080 1.00 0.00 C ATOM 776 O PHE A 799 0.356 -18.736 5.358 1.00 0.00 O ATOM 777 CB PHE A 799 -1.492 -17.814 2.867 1.00 0.00 C ATOM 778 CG PHE A 799 -1.624 -17.281 1.455 1.00 0.00 C ATOM 779 CD1 PHE A 799 -2.316 -16.082 1.235 1.00 0.00 C ATOM 780 CD2 PHE A 799 -1.027 -17.960 0.376 1.00 0.00 C ATOM 781 CE1 PHE A 799 -2.376 -15.530 -0.053 1.00 0.00 C ATOM 782 CE2 PHE A 799 -1.090 -17.414 -0.916 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.760 -16.197 -1.128 1.00 0.00 C ATOM 0 H PHE A 799 1.309 -18.289 2.996 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.495 -16.101 3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.344 -18.893 2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.425 -17.639 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -2.804 -15.582 2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -0.521 -18.900 0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -2.893 -14.596 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -0.625 -17.928 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.802 -15.772 -2.120 1.00 0.00 H new ATOM 793 N LYS A 800 -1.050 -17.085 5.972 1.00 0.00 N ATOM 794 CA LYS A 800 -1.243 -17.467 7.379 1.00 0.00 C ATOM 795 C LYS A 800 -2.739 -17.564 7.739 1.00 0.00 C ATOM 796 O LYS A 800 -3.561 -16.759 7.301 1.00 0.00 O ATOM 797 CB LYS A 800 -0.507 -16.433 8.248 1.00 0.00 C ATOM 798 CG LYS A 800 -0.628 -16.680 9.764 1.00 0.00 C ATOM 799 CD LYS A 800 0.137 -15.611 10.548 1.00 0.00 C ATOM 800 CE LYS A 800 -0.007 -15.865 12.051 1.00 0.00 C ATOM 801 NZ LYS A 800 0.664 -14.811 12.857 1.00 0.00 N ATOM 0 H LYS A 800 -1.573 -16.245 5.723 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.831 -18.460 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.548 -16.431 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.897 -15.441 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.678 -16.671 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.237 -17.668 10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.190 -15.625 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 800 -0.246 -14.621 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -1.064 -15.905 12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.419 -16.837 12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 0.544 -15.019 13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 1.678 -14.790 12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 0.240 -13.886 12.641 1.00 0.00 H new ATOM 815 N CYS A 801 -3.079 -18.555 8.561 1.00 0.00 N ATOM 816 CA CYS A 801 -4.384 -18.746 9.208 1.00 0.00 C ATOM 817 C CYS A 801 -4.350 -18.173 10.652 1.00 0.00 C ATOM 818 O CYS A 801 -3.291 -18.251 11.288 1.00 0.00 O ATOM 819 CB CYS A 801 -4.621 -20.265 9.232 1.00 0.00 C ATOM 820 SG CYS A 801 -6.272 -20.690 9.869 1.00 0.00 S ATOM 0 H CYS A 801 -2.417 -19.290 8.810 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.182 -18.229 8.675 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.508 -20.665 8.224 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.860 -20.740 9.851 1.00 0.00 H new ATOM 0 HG CYS A 801 -6.679 -21.795 9.318 1.00 0.00 H new ATOM 825 N PRO A 802 -5.465 -17.657 11.220 1.00 0.00 N ATOM 826 CA PRO A 802 -5.500 -17.095 12.574 1.00 0.00 C ATOM 827 C PRO A 802 -5.086 -18.056 13.711 1.00 0.00 C ATOM 828 O PRO A 802 -4.705 -17.567 14.775 1.00 0.00 O ATOM 829 CB PRO A 802 -6.930 -16.559 12.774 1.00 0.00 C ATOM 830 CG PRO A 802 -7.750 -17.219 11.671 1.00 0.00 C ATOM 831 CD PRO A 802 -6.728 -17.374 10.552 1.00 0.00 C ATOM 0 HA PRO A 802 -4.743 -16.314 12.643 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.315 -16.816 13.761 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.960 -15.472 12.693 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.156 -18.180 11.986 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.595 -16.600 11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.005 -18.183 9.876 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.661 -16.466 9.952 1.00 0.00 H new ATOM 839 N CYS A 803 -5.100 -19.384 13.513 1.00 0.00 N ATOM 840 CA CYS A 803 -4.576 -20.357 14.487 1.00 0.00 C ATOM 841 C CYS A 803 -3.028 -20.462 14.504 1.00 0.00 C ATOM 842 O CYS A 803 -2.453 -21.056 15.423 1.00 0.00 O ATOM 843 CB CYS A 803 -5.242 -21.731 14.260 1.00 0.00 C ATOM 844 SG CYS A 803 -4.636 -22.538 12.742 1.00 0.00 S ATOM 0 H CYS A 803 -5.477 -19.816 12.669 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.838 -19.987 15.478 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.046 -22.375 15.117 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.323 -21.605 14.197 1.00 0.00 H new ATOM 0 HG CYS A 803 -5.175 -21.970 11.704 1.00 0.00 H new ATOM 849 N GLY A 804 -2.355 -19.862 13.513 1.00 0.00 N ATOM 850 CA GLY A 804 -0.897 -19.861 13.314 1.00 0.00 C ATOM 851 C GLY A 804 -0.414 -20.729 12.145 1.00 0.00 C ATOM 852 O GLY A 804 0.735 -20.568 11.714 1.00 0.00 O ATOM 0 H GLY A 804 -2.840 -19.334 12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.566 -18.836 13.150 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.418 -20.208 14.230 1.00 0.00 H new ATOM 856 N ASN A 805 -1.266 -21.620 11.613 1.00 0.00 N ATOM 857 CA ASN A 805 -0.934 -22.494 10.472 1.00 0.00 C ATOM 858 C ASN A 805 -0.612 -21.692 9.194 1.00 0.00 C ATOM 859 O ASN A 805 -1.069 -20.559 9.028 1.00 0.00 O ATOM 860 CB ASN A 805 -2.098 -23.481 10.253 1.00 0.00 C ATOM 861 CG ASN A 805 -1.768 -24.634 9.304 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.617 -24.990 9.085 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.773 -25.254 8.718 1.00 0.00 N ATOM 0 H ASN A 805 -2.214 -21.757 11.965 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.026 -23.050 10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.398 -23.892 11.217 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -2.955 -22.934 9.859 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.592 -26.031 8.082 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.732 -24.957 8.901 1.00 0.00 H new ATOM 870 N ARG A 806 0.176 -22.275 8.280 1.00 0.00 N ATOM 871 CA ARG A 806 0.719 -21.618 7.078 1.00 0.00 C ATOM 872 C ARG A 806 0.455 -22.429 5.799 1.00 0.00 C ATOM 873 O ARG A 806 0.329 -23.658 5.858 1.00 0.00 O ATOM 874 CB ARG A 806 2.238 -21.409 7.243 1.00 0.00 C ATOM 875 CG ARG A 806 2.666 -20.653 8.516 1.00 0.00 C ATOM 876 CD ARG A 806 2.154 -19.208 8.584 1.00 0.00 C ATOM 877 NE ARG A 806 2.580 -18.576 9.844 1.00 0.00 N ATOM 878 CZ ARG A 806 3.431 -17.571 9.998 1.00 0.00 C ATOM 879 NH1 ARG A 806 3.987 -16.950 8.979 1.00 0.00 N ATOM 880 NH2 ARG A 806 3.744 -17.170 11.210 1.00 0.00 N ATOM 0 H ARG A 806 0.464 -23.250 8.358 1.00 0.00 H new ATOM 0 HA ARG A 806 0.210 -20.660 6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.725 -22.384 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.609 -20.864 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.305 -21.197 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.754 -20.645 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 806 2.536 -18.639 7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 806 1.066 -19.196 8.512 1.00 0.00 H new ATOM 0 HE ARG A 806 2.173 -18.956 10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 806 3.768 -17.238 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 806 4.637 -16.181 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.333 -17.631 12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 806 4.398 -16.398 11.339 1.00 0.00 H new ATOM 894 N THR A 807 0.451 -21.749 4.642 1.00 0.00 N ATOM 895 CA THR A 807 0.451 -22.347 3.292 1.00 0.00 C ATOM 896 C THR A 807 1.042 -21.392 2.253 1.00 0.00 C ATOM 897 O THR A 807 1.350 -20.241 2.560 1.00 0.00 O ATOM 898 CB THR A 807 -0.937 -22.890 2.912 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.765 -23.818 1.865 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.928 -21.814 2.465 1.00 0.00 C ATOM 0 H THR A 807 0.448 -20.729 4.617 1.00 0.00 H new ATOM 0 HA THR A 807 1.112 -23.213 3.307 1.00 0.00 H new ATOM 0 HB THR A 807 -1.365 -23.342 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.637 -24.182 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.882 -22.279 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.075 -21.097 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.535 -21.299 1.589 1.00 0.00 H new ATOM 908 N ILE A 808 1.231 -21.886 1.030 1.00 0.00 N ATOM 909 CA ILE A 808 1.867 -21.198 -0.103 1.00 0.00 C ATOM 910 C ILE A 808 1.092 -21.541 -1.386 1.00 0.00 C ATOM 911 O ILE A 808 0.671 -22.683 -1.580 1.00 0.00 O ATOM 912 CB ILE A 808 3.364 -21.597 -0.231 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.111 -21.598 1.130 1.00 0.00 C ATOM 914 CG2 ILE A 808 4.091 -20.660 -1.219 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.608 -21.931 1.049 1.00 0.00 C ATOM 0 H ILE A 808 0.929 -22.829 0.785 1.00 0.00 H new ATOM 0 HA ILE A 808 1.837 -20.121 0.063 1.00 0.00 H new ATOM 0 HB ILE A 808 3.377 -22.619 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.997 -20.617 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.629 -22.318 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.138 -20.954 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.621 -20.730 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.028 -19.633 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.041 -21.907 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.737 -22.926 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 808 6.110 -21.197 0.418 1.00 0.00 H new ATOM 927 N SER A 809 0.922 -20.580 -2.291 1.00 0.00 N ATOM 928 CA SER A 809 0.256 -20.782 -3.591 1.00 0.00 C ATOM 929 C SER A 809 0.752 -19.773 -4.628 1.00 0.00 C ATOM 930 O SER A 809 1.526 -18.866 -4.319 1.00 0.00 O ATOM 931 CB SER A 809 -1.273 -20.718 -3.416 1.00 0.00 C ATOM 932 OG SER A 809 -1.942 -21.119 -4.605 1.00 0.00 O ATOM 0 H SER A 809 1.245 -19.623 -2.147 1.00 0.00 H new ATOM 0 HA SER A 809 0.512 -21.773 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.575 -21.362 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.570 -19.703 -3.153 1.00 0.00 H new ATOM 0 HG SER A 809 -2.911 -21.071 -4.467 1.00 0.00 H new ATOM 938 N LEU A 810 0.346 -19.956 -5.885 1.00 0.00 N ATOM 939 CA LEU A 810 0.771 -19.160 -7.038 1.00 0.00 C ATOM 940 C LEU A 810 -0.190 -17.987 -7.310 1.00 0.00 C ATOM 941 O LEU A 810 0.236 -16.962 -7.849 1.00 0.00 O ATOM 942 CB LEU A 810 0.894 -20.116 -8.245 1.00 0.00 C ATOM 943 CG LEU A 810 1.992 -21.208 -8.168 1.00 0.00 C ATOM 944 CD1 LEU A 810 3.391 -20.622 -7.909 1.00 0.00 C ATOM 945 CD2 LEU A 810 1.726 -22.351 -7.179 1.00 0.00 C ATOM 0 H LEU A 810 -0.314 -20.692 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 810 1.737 -18.695 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 810 -0.067 -20.611 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.075 -19.515 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 810 1.956 -21.652 -9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 810 4.121 -21.430 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 810 3.654 -19.939 -8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 810 3.390 -20.082 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 810 2.556 -23.057 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 810 1.628 -21.945 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 810 0.805 -22.864 -7.455 1.00 0.00 H new ATOM 957 N ASP A 811 -1.452 -18.098 -6.891 1.00 0.00 N ATOM 958 CA ASP A 811 -2.470 -17.043 -6.967 1.00 0.00 C ATOM 959 C ASP A 811 -2.493 -16.182 -5.692 1.00 0.00 C ATOM 960 O ASP A 811 -1.949 -16.560 -4.654 1.00 0.00 O ATOM 961 CB ASP A 811 -3.846 -17.690 -7.221 1.00 0.00 C ATOM 962 CG ASP A 811 -4.915 -16.682 -7.666 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.833 -16.182 -8.814 1.00 0.00 O ATOM 964 OD2 ASP A 811 -5.811 -16.362 -6.850 1.00 0.00 O ATOM 0 H ASP A 811 -1.809 -18.957 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.223 -16.375 -7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.742 -18.461 -7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.181 -18.186 -6.310 1.00 0.00 H new ATOM 969 N ARG A 812 -3.173 -15.033 -5.764 1.00 0.00 N ATOM 970 CA ARG A 812 -3.309 -14.055 -4.673 1.00 0.00 C ATOM 971 C ARG A 812 -4.063 -14.571 -3.431 1.00 0.00 C ATOM 972 O ARG A 812 -4.062 -13.898 -2.401 1.00 0.00 O ATOM 973 CB ARG A 812 -3.944 -12.753 -5.207 1.00 0.00 C ATOM 974 CG ARG A 812 -5.397 -12.916 -5.689 1.00 0.00 C ATOM 975 CD ARG A 812 -6.014 -11.561 -6.055 1.00 0.00 C ATOM 976 NE ARG A 812 -7.410 -11.712 -6.494 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.274 -10.730 -6.732 1.00 0.00 C ATOM 978 NH1 ARG A 812 -7.939 -9.461 -6.615 1.00 0.00 N ATOM 979 NH2 ARG A 812 -9.498 -11.029 -7.109 1.00 0.00 N ATOM 0 H ARG A 812 -3.662 -14.746 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.296 -13.860 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -3.915 -11.998 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.338 -12.377 -6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.424 -13.577 -6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -5.991 -13.390 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -5.971 -10.895 -5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -5.429 -11.095 -6.848 1.00 0.00 H new ATOM 0 HE ARG A 812 -7.749 -12.665 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -6.992 -9.207 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -8.627 -8.732 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -9.775 -12.005 -7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -10.171 -10.285 -7.295 1.00 0.00 H new ATOM 993 N LEU A 813 -4.687 -15.754 -3.515 1.00 0.00 N ATOM 994 CA LEU A 813 -5.307 -16.487 -2.400 1.00 0.00 C ATOM 995 C LEU A 813 -5.353 -17.999 -2.736 1.00 0.00 C ATOM 996 O LEU A 813 -5.682 -18.327 -3.880 1.00 0.00 O ATOM 997 CB LEU A 813 -6.720 -15.912 -2.147 1.00 0.00 C ATOM 998 CG LEU A 813 -7.334 -16.279 -0.776 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.633 -15.548 0.381 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.828 -15.921 -0.766 1.00 0.00 C ATOM 0 H LEU A 813 -4.778 -16.249 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.721 -16.368 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.675 -14.826 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.387 -16.265 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.199 -17.351 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.095 -15.834 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.577 -15.820 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.729 -14.471 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.258 -16.181 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.947 -14.852 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.340 -16.476 -1.552 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.055 -18.911 -1.786 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.161 -20.353 -2.003 1.00 0.00 C ATOM 1014 C PRO A 814 -6.632 -20.797 -2.023 1.00 0.00 C ATOM 1015 O PRO A 814 -7.508 -20.108 -1.507 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.382 -20.994 -0.849 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.578 -19.995 0.286 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.544 -18.654 -0.442 1.00 0.00 C ATOM 0 HA PRO A 814 -4.752 -20.656 -2.967 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.774 -21.978 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.328 -21.125 -1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.524 -20.151 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.788 -20.071 1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.157 -17.915 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.530 -18.256 -0.480 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.901 -21.971 -2.597 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.251 -22.559 -2.701 1.00 0.00 C ATOM 1028 C LYS A 815 -8.603 -23.585 -1.603 1.00 0.00 C ATOM 1029 O LYS A 815 -9.771 -23.936 -1.431 1.00 0.00 O ATOM 1030 CB LYS A 815 -8.442 -23.128 -4.125 1.00 0.00 C ATOM 1031 CG LYS A 815 -7.808 -24.502 -4.440 1.00 0.00 C ATOM 1032 CD LYS A 815 -6.273 -24.545 -4.380 1.00 0.00 C ATOM 1033 CE LYS A 815 -5.775 -25.909 -4.872 1.00 0.00 C ATOM 1034 NZ LYS A 815 -4.296 -25.999 -4.831 1.00 0.00 N ATOM 0 H LYS A 815 -6.177 -22.557 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.965 -21.754 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -9.513 -23.201 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -8.040 -22.403 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -8.204 -25.236 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.125 -24.811 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -5.853 -23.750 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -5.934 -24.370 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -6.205 -26.698 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -6.122 -26.077 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -3.996 -26.935 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -3.886 -25.262 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -3.967 -25.863 -3.854 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.597 -24.094 -0.880 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.716 -25.198 0.090 1.00 0.00 C ATOM 1050 C LYS A 816 -7.986 -24.715 1.534 1.00 0.00 C ATOM 1051 O LYS A 816 -7.591 -23.615 1.917 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.476 -26.113 -0.049 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.100 -25.468 0.219 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.634 -25.524 1.682 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.306 -26.960 2.107 1.00 0.00 C ATOM 1056 NZ LYS A 816 -4.103 -27.062 3.572 1.00 0.00 N ATOM 0 H LYS A 816 -6.644 -23.738 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.603 -25.787 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.596 -26.953 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.468 -26.523 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.355 -25.964 -0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.136 -24.425 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.753 -24.894 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.412 -25.119 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -5.116 -27.624 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.407 -27.297 1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -3.850 -28.040 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.337 -26.422 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -4.980 -26.796 4.063 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.633 -25.543 2.355 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.896 -25.259 3.779 1.00 0.00 C ATOM 1072 C HIS A 817 -7.672 -25.551 4.673 1.00 0.00 C ATOM 1073 O HIS A 817 -6.734 -26.248 4.275 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.118 -26.071 4.248 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.463 -25.509 3.858 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -12.574 -25.472 4.669 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -11.832 -24.956 2.656 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.582 -24.911 3.976 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.176 -24.579 2.738 1.00 0.00 N ATOM 0 H HIS A 817 -8.998 -26.446 2.051 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.105 -24.193 3.874 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.036 -27.081 3.847 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.081 -26.155 5.334 1.00 0.00 H new ATOM 0 HD1 HIS A 817 -12.625 -25.811 5.630 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -11.193 -24.833 1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -14.578 -24.750 4.361 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.687 -25.042 5.907 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.663 -25.277 6.919 1.00 0.00 C ATOM 1089 C CYS A 818 -6.522 -26.768 7.277 1.00 0.00 C ATOM 1090 O CYS A 818 -7.503 -27.487 7.481 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.023 -24.418 8.138 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.770 -24.565 9.451 1.00 0.00 S ATOM 0 H CYS A 818 -8.438 -24.436 6.237 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.685 -24.991 6.533 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.114 -23.375 7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -7.995 -24.723 8.525 1.00 0.00 H new ATOM 0 HG CYS A 818 -5.550 -23.395 9.974 1.00 0.00 H new ATOM 1097 N SER A 819 -5.280 -27.227 7.375 1.00 0.00 N ATOM 1098 CA SER A 819 -4.905 -28.582 7.809 1.00 0.00 C ATOM 1099 C SER A 819 -4.863 -28.754 9.342 1.00 0.00 C ATOM 1100 O SER A 819 -4.745 -29.890 9.823 1.00 0.00 O ATOM 1101 CB SER A 819 -3.540 -28.944 7.195 1.00 0.00 C ATOM 1102 OG SER A 819 -2.584 -27.899 7.365 1.00 0.00 O ATOM 0 H SER A 819 -4.471 -26.650 7.147 1.00 0.00 H new ATOM 0 HA SER A 819 -5.682 -29.260 7.455 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.165 -29.857 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.664 -29.153 6.132 1.00 0.00 H new ATOM 0 HG SER A 819 -1.731 -28.167 6.964 1.00 0.00 H new ATOM 1108 N THR A 820 -4.981 -27.659 10.117 1.00 0.00 N ATOM 1109 CA THR A 820 -4.887 -27.649 11.589 1.00 0.00 C ATOM 1110 C THR A 820 -6.249 -27.459 12.271 1.00 0.00 C ATOM 1111 O THR A 820 -6.499 -28.143 13.264 1.00 0.00 O ATOM 1112 CB THR A 820 -3.866 -26.583 12.035 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.596 -26.945 11.523 1.00 0.00 O ATOM 1114 CG2 THR A 820 -3.707 -26.474 13.555 1.00 0.00 C ATOM 0 H THR A 820 -5.149 -26.732 9.726 1.00 0.00 H new ATOM 0 HA THR A 820 -4.536 -28.630 11.910 1.00 0.00 H new ATOM 0 HB THR A 820 -4.235 -25.627 11.663 1.00 0.00 H new ATOM 0 HG1 THR A 820 -1.932 -26.278 11.794 1.00 0.00 H new ATOM 0 HG21 THR A 820 -2.972 -25.704 13.790 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.665 -26.210 14.003 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.370 -27.430 13.955 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.124 -26.588 11.751 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.448 -26.302 12.340 1.00 0.00 C ATOM 1124 C CYS A 821 -9.658 -26.457 11.380 1.00 0.00 C ATOM 1125 O CYS A 821 -10.802 -26.564 11.836 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.415 -24.940 13.052 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.351 -23.498 11.938 1.00 0.00 S ATOM 0 H CYS A 821 -6.935 -26.055 10.902 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.631 -27.087 13.074 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.299 -24.854 13.684 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.548 -24.911 13.711 1.00 0.00 H new ATOM 0 HG CYS A 821 -7.479 -23.714 10.998 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.418 -26.549 10.066 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.394 -27.025 9.068 1.00 0.00 C ATOM 1134 C GLY A 822 -11.228 -25.952 8.356 1.00 0.00 C ATOM 1135 O GLY A 822 -11.943 -26.286 7.409 1.00 0.00 O ATOM 0 H GLY A 822 -8.521 -26.290 9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -9.856 -27.596 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.078 -27.715 9.562 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.154 -24.685 8.777 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.860 -23.561 8.145 1.00 0.00 C ATOM 1141 C LEU A 823 -11.066 -22.923 6.982 1.00 0.00 C ATOM 1142 O LEU A 823 -10.017 -23.429 6.574 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.320 -22.577 9.248 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.247 -22.036 10.219 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.053 -21.377 9.518 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -11.906 -21.024 11.168 1.00 0.00 C ATOM 0 H LEU A 823 -10.592 -24.405 9.581 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.756 -23.926 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -12.793 -21.724 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.089 -23.072 9.840 1.00 0.00 H new ATOM 0 HG LEU A 823 -10.847 -22.893 10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.343 -21.022 10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.565 -22.105 8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.402 -20.535 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.159 -20.634 11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.328 -20.203 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.699 -21.516 11.731 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.574 -21.805 6.450 1.00 0.00 N ATOM 1159 CA PHE A 824 -10.938 -21.004 5.406 1.00 0.00 C ATOM 1160 C PHE A 824 -10.884 -19.522 5.838 1.00 0.00 C ATOM 1161 O PHE A 824 -11.890 -18.811 5.773 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.726 -21.214 4.104 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.103 -20.559 2.889 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.149 -21.262 2.136 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.486 -19.262 2.492 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.579 -20.676 0.992 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.912 -18.670 1.352 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.952 -19.376 0.602 1.00 0.00 C ATOM 0 H PHE A 824 -12.471 -21.422 6.748 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.906 -21.314 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -11.820 -22.284 3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.735 -20.823 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -9.852 -22.256 2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.223 -18.720 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -8.853 -21.225 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.207 -17.675 1.053 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.504 -18.922 -0.269 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.712 -19.071 6.309 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.466 -17.717 6.856 1.00 0.00 C ATOM 1180 C LYS A 825 -8.046 -17.192 6.515 1.00 0.00 C ATOM 1181 O LYS A 825 -7.445 -16.425 7.276 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.736 -17.728 8.384 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.211 -17.841 8.820 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.123 -16.680 8.391 1.00 0.00 C ATOM 1185 CE LYS A 825 -11.653 -15.331 8.966 1.00 0.00 C ATOM 1186 NZ LYS A 825 -12.580 -14.229 8.599 1.00 0.00 N ATOM 0 H LYS A 825 -8.876 -19.655 6.323 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.155 -17.018 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.186 -18.561 8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.323 -16.814 8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.620 -18.768 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.244 -17.923 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.147 -16.621 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -13.142 -16.879 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -11.582 -15.402 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -10.653 -15.105 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -12.234 -13.335 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -12.628 -14.146 7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -13.528 -14.434 8.974 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.479 -17.624 5.382 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.130 -17.260 4.942 1.00 0.00 C ATOM 1202 C TRP A 826 -5.941 -15.746 4.726 1.00 0.00 C ATOM 1203 O TRP A 826 -6.808 -15.064 4.179 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.791 -18.025 3.657 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.757 -19.514 3.796 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.623 -20.368 3.215 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.815 -20.348 4.543 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.265 -21.666 3.509 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.170 -21.716 4.345 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.692 -20.092 5.354 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.455 -22.770 4.935 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -2.973 -21.142 5.960 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.356 -22.479 5.760 1.00 0.00 C ATOM 0 H TRP A 826 -7.957 -18.249 4.733 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.447 -17.538 5.744 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.523 -17.763 2.893 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.819 -17.687 3.297 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.470 -20.079 2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.751 -22.489 3.152 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.376 -19.072 5.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.747 -23.794 4.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.120 -20.917 6.583 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.809 -23.278 6.238 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.767 -15.239 5.108 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.321 -13.858 4.940 1.00 0.00 C ATOM 1226 C GLU A 827 -2.917 -13.834 4.329 1.00 0.00 C ATOM 1227 O GLU A 827 -2.051 -14.609 4.740 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.327 -13.174 6.318 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.961 -11.681 6.282 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.976 -10.848 5.487 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -4.806 -10.688 4.256 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.955 -10.347 6.089 1.00 0.00 O ATOM 0 H GLU A 827 -4.063 -15.816 5.569 1.00 0.00 H new ATOM 0 HA GLU A 827 -4.991 -13.324 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.317 -13.283 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.626 -13.693 6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.901 -11.300 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -2.972 -11.563 5.839 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.676 -12.937 3.369 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.376 -12.715 2.728 1.00 0.00 C ATOM 1241 C ARG A 828 -0.362 -12.182 3.745 1.00 0.00 C ATOM 1242 O ARG A 828 -0.550 -11.097 4.299 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.572 -11.740 1.547 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.315 -11.436 0.723 1.00 0.00 C ATOM 1245 CD ARG A 828 0.204 -12.632 -0.084 1.00 0.00 C ATOM 1246 NE ARG A 828 1.188 -12.203 -1.097 1.00 0.00 N ATOM 1247 CZ ARG A 828 2.511 -12.302 -1.057 1.00 0.00 C ATOM 1248 NH1 ARG A 828 3.180 -12.733 -0.004 1.00 0.00 N ATOM 1249 NH2 ARG A 828 3.223 -11.956 -2.102 1.00 0.00 N ATOM 0 H ARG A 828 -3.405 -12.324 3.004 1.00 0.00 H new ATOM 0 HA ARG A 828 -0.977 -13.655 2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.330 -12.152 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -1.966 -10.801 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.531 -10.615 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.473 -11.093 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.662 -13.357 0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.631 -13.134 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 828 0.801 -11.774 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 828 2.679 -13.012 0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 828 4.198 -12.787 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 828 2.760 -11.612 -2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 828 4.240 -12.031 -2.074 1.00 0.00 H new ATOM 1263 N VAL A 829 0.723 -12.926 3.963 1.00 0.00 N ATOM 1264 CA VAL A 829 1.858 -12.551 4.830 1.00 0.00 C ATOM 1265 C VAL A 829 3.159 -12.476 4.021 1.00 0.00 C ATOM 1266 O VAL A 829 3.199 -12.889 2.861 1.00 0.00 O ATOM 1267 CB VAL A 829 2.019 -13.509 6.036 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.838 -13.338 7.007 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.189 -14.987 5.637 1.00 0.00 C ATOM 0 H VAL A 829 0.847 -13.840 3.529 1.00 0.00 H new ATOM 0 HA VAL A 829 1.638 -11.562 5.233 1.00 0.00 H new ATOM 0 HB VAL A 829 2.948 -13.229 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.960 -14.016 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.810 -12.310 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.094 -13.567 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.296 -15.596 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.313 -15.316 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.078 -15.096 5.016 1.00 0.00 H new ATOM 1279 N GLY A 830 4.209 -11.913 4.624 1.00 0.00 N ATOM 1280 CA GLY A 830 5.505 -11.715 3.983 1.00 0.00 C ATOM 1281 C GLY A 830 6.365 -12.973 3.871 1.00 0.00 C ATOM 1282 O GLY A 830 6.005 -14.057 4.334 1.00 0.00 O ATOM 0 H GLY A 830 4.179 -11.578 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.342 -11.313 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 830 6.060 -10.962 4.542 1.00 0.00 H new