USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=26 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 157:sc= -1.06 USER MOD Set 1.2: A 803 CYS SG : rot -76:sc= 0.414 USER MOD Set 1.3: A 805 ASN : amide:sc= 1.19 K(o=3.1,f=1) USER MOD Set 1.4: A 818 CYS SG : rot 142:sc= 2.3 USER MOD Set 1.5: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 1.6: A 821 CYS SG : rot -48:sc= 0.244 USER MOD Set 2.1: A 807 THR OG1 : rot 110:sc= 0.497 USER MOD Set 2.2: A 816 LYS NZ :NH3+ -176:sc= 0.483 (180deg=0) USER MOD Set 3.1: A 768 CYS SG : rot -160:sc= -0.143 USER MOD Set 3.2: A 771 CYS SG : rot 69:sc= 0.139 USER MOD Set 3.3: A 773 TYR OH : rot -155:sc= 0.544 USER MOD Set 3.4: A 779 LYS NZ :NH3+ -131:sc= 1.73 (180deg=0) USER MOD Set 3.5: A 782 CYS SG : rot -66:sc= 1.49 USER MOD Set 3.6: A 787 HIS : no HD1:sc= 0.434 K(o=4.2,f=2.6) USER MOD Set 4.1: A 769 LYS NZ :NH3+ -155:sc= 0.874 (180deg=-0.0137) USER MOD Set 4.2: A 790 HIS : no HD1:sc= 0.59 K(o=1.5,f=-1.5) USER MOD Set 5.1: A 767 THR OG1 : rot 79:sc= 0.989 USER MOD Set 5.2: A 774 THR OG1 : rot -81:sc= 0.637 USER MOD Set 5.3: A 792 HIS : no HE2:sc= 0.288 K(o=1.9,f=0.17) USER MOD Single : A 761 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 762 SER OG : rot 180:sc= 0 USER MOD Single : A 763 CYS SG : rot 180:sc= 0 USER MOD Single : A 770 THR OG1 : rot -160:sc=0.000784 USER MOD Single : A 772 LYS NZ :NH3+ -169:sc= 0.755 (180deg=0.657) USER MOD Single : A 775 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=-0.13) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 793 ASN : amide:sc= 0.329 X(o=0.33,f=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 SER OG : rot 180:sc= 0.133 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 HIS : no HE2:sc= 0.67 K(o=0.67,f=-2.1!) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 825 LYS NZ :NH3+ -120:sc= 0.119 (180deg=-0.00133) USER MOD ----------------------------------------------------------------- ATOM 112 N ARG A 759 7.992 -9.334 -1.490 1.00 0.00 N ATOM 113 CA ARG A 759 7.574 -10.447 -0.611 1.00 0.00 C ATOM 114 C ARG A 759 7.106 -11.732 -1.331 1.00 0.00 C ATOM 115 O ARG A 759 6.262 -12.478 -0.835 1.00 0.00 O ATOM 116 CB ARG A 759 6.568 -9.938 0.423 1.00 0.00 C ATOM 117 CG ARG A 759 5.191 -9.567 -0.156 1.00 0.00 C ATOM 118 CD ARG A 759 4.271 -9.024 0.936 1.00 0.00 C ATOM 119 NE ARG A 759 2.941 -8.689 0.396 1.00 0.00 N ATOM 120 CZ ARG A 759 1.827 -8.511 1.095 1.00 0.00 C ATOM 121 NH1 ARG A 759 1.793 -8.626 2.406 1.00 0.00 N ATOM 122 NH2 ARG A 759 0.712 -8.213 0.469 1.00 0.00 N ATOM 0 HA ARG A 759 8.475 -10.785 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 759 6.433 -10.703 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 759 6.987 -9.063 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.311 -8.820 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 759 4.737 -10.444 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 759 4.168 -9.764 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 759 4.718 -8.137 1.384 1.00 0.00 H new ATOM 0 HE ARG A 759 2.870 -8.583 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 759 2.643 -8.860 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 759 0.917 -8.482 2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 759 0.707 -8.120 -0.547 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -0.149 -8.075 0.998 1.00 0.00 H new ATOM 136 N GLU A 760 7.640 -11.980 -2.519 1.00 0.00 N ATOM 137 CA GLU A 760 7.387 -13.120 -3.402 1.00 0.00 C ATOM 138 C GLU A 760 8.551 -13.296 -4.393 1.00 0.00 C ATOM 139 O GLU A 760 9.270 -12.339 -4.697 1.00 0.00 O ATOM 140 CB GLU A 760 6.030 -13.006 -4.125 1.00 0.00 C ATOM 141 CG GLU A 760 5.705 -11.642 -4.757 1.00 0.00 C ATOM 142 CD GLU A 760 4.304 -11.633 -5.368 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.324 -11.904 -4.633 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.163 -11.358 -6.581 1.00 0.00 O ATOM 0 H GLU A 760 8.319 -11.338 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 760 7.327 -14.016 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 760 5.996 -13.763 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.242 -13.249 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 760 5.779 -10.861 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 760 6.441 -11.411 -5.527 1.00 0.00 H new ATOM 151 N GLN A 761 8.758 -14.529 -4.869 1.00 0.00 N ATOM 152 CA GLN A 761 9.992 -14.938 -5.553 1.00 0.00 C ATOM 153 C GLN A 761 9.714 -15.960 -6.666 1.00 0.00 C ATOM 154 O GLN A 761 8.812 -16.797 -6.560 1.00 0.00 O ATOM 155 CB GLN A 761 10.994 -15.485 -4.516 1.00 0.00 C ATOM 156 CG GLN A 761 10.523 -16.777 -3.826 1.00 0.00 C ATOM 157 CD GLN A 761 11.463 -17.200 -2.696 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.372 -18.002 -2.868 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.275 -16.692 -1.492 1.00 0.00 N ATOM 0 H GLN A 761 8.069 -15.277 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 761 10.429 -14.066 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.948 -15.673 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.172 -14.722 -3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.520 -16.629 -3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.458 -17.578 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.522 -16.023 -1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.883 -16.969 -0.721 1.00 0.00 H new ATOM 168 N SER A 762 10.506 -15.904 -7.736 1.00 0.00 N ATOM 169 CA SER A 762 10.374 -16.783 -8.903 1.00 0.00 C ATOM 170 C SER A 762 10.870 -18.215 -8.639 1.00 0.00 C ATOM 171 O SER A 762 11.803 -18.442 -7.858 1.00 0.00 O ATOM 172 CB SER A 762 11.147 -16.207 -10.104 1.00 0.00 C ATOM 173 OG SER A 762 10.777 -14.858 -10.380 1.00 0.00 O ATOM 0 H SER A 762 11.272 -15.235 -7.820 1.00 0.00 H new ATOM 0 HA SER A 762 9.307 -16.832 -9.122 1.00 0.00 H new ATOM 0 HB2 SER A 762 12.217 -16.256 -9.903 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.960 -16.822 -10.984 1.00 0.00 H new ATOM 0 HG SER A 762 11.290 -14.528 -11.147 1.00 0.00 H new ATOM 179 N CYS A 763 10.270 -19.193 -9.324 1.00 0.00 N ATOM 180 CA CYS A 763 10.588 -20.619 -9.201 1.00 0.00 C ATOM 181 C CYS A 763 10.201 -21.421 -10.462 1.00 0.00 C ATOM 182 O CYS A 763 9.514 -20.908 -11.355 1.00 0.00 O ATOM 183 CB CYS A 763 9.903 -21.162 -7.928 1.00 0.00 C ATOM 184 SG CYS A 763 8.095 -20.982 -8.032 1.00 0.00 S ATOM 0 H CYS A 763 9.528 -19.009 -9.999 1.00 0.00 H new ATOM 0 HA CYS A 763 11.668 -20.739 -9.111 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.160 -22.213 -7.792 1.00 0.00 H new ATOM 0 HB3 CYS A 763 10.275 -20.627 -7.054 1.00 0.00 H new ATOM 0 HG CYS A 763 7.549 -21.449 -6.949 1.00 0.00 H new ATOM 190 N ARG A 764 10.618 -22.695 -10.529 1.00 0.00 N ATOM 191 CA ARG A 764 10.068 -23.677 -11.477 1.00 0.00 C ATOM 192 C ARG A 764 8.796 -24.304 -10.882 1.00 0.00 C ATOM 193 O ARG A 764 8.714 -24.545 -9.678 1.00 0.00 O ATOM 194 CB ARG A 764 11.125 -24.738 -11.842 1.00 0.00 C ATOM 195 CG ARG A 764 10.786 -25.394 -13.186 1.00 0.00 C ATOM 196 CD ARG A 764 11.784 -26.480 -13.603 1.00 0.00 C ATOM 197 NE ARG A 764 11.626 -27.719 -12.819 1.00 0.00 N ATOM 198 CZ ARG A 764 12.375 -28.809 -12.910 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.456 -28.855 -13.662 1.00 0.00 N ATOM 200 NH2 ARG A 764 12.036 -29.887 -12.239 1.00 0.00 N ATOM 0 H ARG A 764 11.348 -23.074 -9.926 1.00 0.00 H new ATOM 0 HA ARG A 764 9.796 -23.176 -12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 764 12.110 -24.275 -11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 764 11.171 -25.497 -11.061 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.789 -25.831 -13.127 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.753 -24.626 -13.959 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.652 -26.704 -14.662 1.00 0.00 H new ATOM 0 HD3 ARG A 764 12.799 -26.103 -13.481 1.00 0.00 H new ATOM 0 HE ARG A 764 10.865 -27.739 -12.140 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.740 -28.035 -14.198 1.00 0.00 H new ATOM 0 HH12 ARG A 764 14.009 -29.711 -13.708 1.00 0.00 H new ATOM 0 HH21 ARG A 764 11.201 -29.881 -11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 764 12.608 -30.729 -12.304 1.00 0.00 H new ATOM 214 N VAL A 765 7.796 -24.536 -11.729 1.00 0.00 N ATOM 215 CA VAL A 765 6.438 -24.977 -11.376 1.00 0.00 C ATOM 216 C VAL A 765 5.933 -26.041 -12.359 1.00 0.00 C ATOM 217 O VAL A 765 6.538 -26.253 -13.412 1.00 0.00 O ATOM 218 CB VAL A 765 5.448 -23.785 -11.312 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.883 -22.740 -10.278 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.270 -23.089 -12.666 1.00 0.00 C ATOM 0 H VAL A 765 7.912 -24.417 -12.735 1.00 0.00 H new ATOM 0 HA VAL A 765 6.490 -25.421 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 765 4.493 -24.220 -11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 765 5.164 -21.921 -10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.928 -23.201 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.867 -22.354 -10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.567 -22.263 -12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.232 -22.705 -13.007 1.00 0.00 H new ATOM 0 HG23 VAL A 765 4.885 -23.803 -13.394 1.00 0.00 H new ATOM 230 N VAL A 766 4.832 -26.702 -12.017 1.00 0.00 N ATOM 231 CA VAL A 766 4.287 -27.848 -12.751 1.00 0.00 C ATOM 232 C VAL A 766 2.765 -27.850 -12.734 1.00 0.00 C ATOM 233 O VAL A 766 2.149 -27.777 -11.670 1.00 0.00 O ATOM 234 CB VAL A 766 4.856 -29.179 -12.203 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.698 -29.347 -10.683 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.257 -30.416 -12.889 1.00 0.00 C ATOM 0 H VAL A 766 4.276 -26.452 -11.200 1.00 0.00 H new ATOM 0 HA VAL A 766 4.600 -27.753 -13.791 1.00 0.00 H new ATOM 0 HB VAL A 766 5.919 -29.112 -12.435 1.00 0.00 H new ATOM 0 HG11 VAL A 766 5.121 -30.304 -10.377 1.00 0.00 H new ATOM 0 HG12 VAL A 766 5.221 -28.539 -10.171 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.640 -29.318 -10.422 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.696 -31.317 -12.461 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.178 -30.430 -12.736 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.472 -30.380 -13.957 1.00 0.00 H new ATOM 246 N THR A 767 2.163 -27.979 -13.921 1.00 0.00 N ATOM 247 CA THR A 767 0.732 -28.234 -14.106 1.00 0.00 C ATOM 248 C THR A 767 0.524 -29.728 -14.314 1.00 0.00 C ATOM 249 O THR A 767 0.987 -30.268 -15.320 1.00 0.00 O ATOM 250 CB THR A 767 0.170 -27.423 -15.281 1.00 0.00 C ATOM 251 OG1 THR A 767 0.268 -26.049 -14.980 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.313 -27.714 -15.531 1.00 0.00 C ATOM 0 H THR A 767 2.672 -27.907 -14.802 1.00 0.00 H new ATOM 0 HA THR A 767 0.189 -27.915 -13.216 1.00 0.00 H new ATOM 0 HB THR A 767 0.746 -27.700 -16.164 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.188 -25.746 -15.129 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.664 -27.116 -16.372 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.443 -28.772 -15.759 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.889 -27.461 -14.641 1.00 0.00 H new ATOM 260 N CYS A 768 -0.191 -30.381 -13.389 1.00 0.00 N ATOM 261 CA CYS A 768 -0.667 -31.751 -13.573 1.00 0.00 C ATOM 262 C CYS A 768 -1.851 -31.734 -14.555 1.00 0.00 C ATOM 263 O CYS A 768 -2.899 -31.131 -14.293 1.00 0.00 O ATOM 264 CB CYS A 768 -1.040 -32.373 -12.212 1.00 0.00 C ATOM 265 SG CYS A 768 -1.383 -34.158 -12.410 1.00 0.00 S ATOM 0 H CYS A 768 -0.454 -29.971 -12.493 1.00 0.00 H new ATOM 0 HA CYS A 768 0.119 -32.376 -13.997 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.226 -32.228 -11.502 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.915 -31.870 -11.801 1.00 0.00 H new ATOM 0 HG CYS A 768 -2.084 -34.580 -11.400 1.00 0.00 H new ATOM 270 N LYS A 769 -1.684 -32.389 -15.702 1.00 0.00 N ATOM 271 CA LYS A 769 -2.688 -32.485 -16.769 1.00 0.00 C ATOM 272 C LYS A 769 -3.846 -33.429 -16.387 1.00 0.00 C ATOM 273 O LYS A 769 -4.958 -33.295 -16.916 1.00 0.00 O ATOM 274 CB LYS A 769 -1.998 -32.954 -18.071 1.00 0.00 C ATOM 275 CG LYS A 769 -0.811 -32.083 -18.525 1.00 0.00 C ATOM 276 CD LYS A 769 -1.192 -30.647 -18.931 1.00 0.00 C ATOM 277 CE LYS A 769 -2.101 -30.549 -20.166 1.00 0.00 C ATOM 278 NZ LYS A 769 -1.474 -31.122 -21.388 1.00 0.00 N ATOM 0 H LYS A 769 -0.821 -32.884 -15.925 1.00 0.00 H new ATOM 0 HA LYS A 769 -3.128 -31.499 -16.923 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.647 -33.977 -17.931 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.739 -32.978 -18.870 1.00 0.00 H new ATOM 0 HG2 LYS A 769 -0.080 -32.037 -17.717 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -0.322 -32.569 -19.370 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.692 -30.167 -18.090 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -0.279 -30.084 -19.123 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -3.037 -31.069 -19.965 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -2.350 -29.503 -20.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -1.892 -30.681 -22.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -0.450 -30.938 -21.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -1.641 -32.148 -21.415 1.00 0.00 H new ATOM 292 N THR A 770 -3.601 -34.369 -15.459 1.00 0.00 N ATOM 293 CA THR A 770 -4.574 -35.368 -14.991 1.00 0.00 C ATOM 294 C THR A 770 -5.555 -34.774 -13.978 1.00 0.00 C ATOM 295 O THR A 770 -6.751 -35.038 -14.112 1.00 0.00 O ATOM 296 CB THR A 770 -3.843 -36.594 -14.426 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.915 -37.061 -15.388 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.801 -37.743 -14.104 1.00 0.00 C ATOM 0 H THR A 770 -2.694 -34.457 -15.001 1.00 0.00 H new ATOM 0 HA THR A 770 -5.170 -35.690 -15.845 1.00 0.00 H new ATOM 0 HB THR A 770 -3.351 -36.283 -13.504 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.680 -37.992 -15.191 1.00 0.00 H new ATOM 0 HG21 THR A 770 -4.237 -38.587 -13.707 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.529 -37.413 -13.363 1.00 0.00 H new ATOM 0 HG23 THR A 770 -5.321 -38.049 -15.012 1.00 0.00 H new ATOM 306 N CYS A 771 -5.091 -33.948 -13.028 1.00 0.00 N ATOM 307 CA CYS A 771 -5.911 -33.356 -11.959 1.00 0.00 C ATOM 308 C CYS A 771 -6.307 -31.878 -12.218 1.00 0.00 C ATOM 309 O CYS A 771 -7.232 -31.366 -11.578 1.00 0.00 O ATOM 310 CB CYS A 771 -5.118 -33.433 -10.646 1.00 0.00 C ATOM 311 SG CYS A 771 -4.643 -35.137 -10.159 1.00 0.00 S ATOM 0 H CYS A 771 -4.112 -33.666 -12.980 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.840 -33.924 -11.915 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.216 -32.829 -10.743 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.714 -32.991 -9.847 1.00 0.00 H new ATOM 0 HG CYS A 771 -3.759 -35.597 -10.994 1.00 0.00 H new ATOM 316 N LYS A 772 -5.625 -31.193 -13.148 1.00 0.00 N ATOM 317 CA LYS A 772 -5.903 -29.822 -13.619 1.00 0.00 C ATOM 318 C LYS A 772 -5.623 -28.742 -12.542 1.00 0.00 C ATOM 319 O LYS A 772 -6.440 -27.853 -12.291 1.00 0.00 O ATOM 320 CB LYS A 772 -7.299 -29.697 -14.283 1.00 0.00 C ATOM 321 CG LYS A 772 -7.518 -30.576 -15.532 1.00 0.00 C ATOM 322 CD LYS A 772 -8.032 -31.989 -15.219 1.00 0.00 C ATOM 323 CE LYS A 772 -8.242 -32.798 -16.501 1.00 0.00 C ATOM 324 NZ LYS A 772 -8.658 -34.189 -16.193 1.00 0.00 N ATOM 0 H LYS A 772 -4.818 -31.601 -13.620 1.00 0.00 H new ATOM 0 HA LYS A 772 -5.184 -29.616 -14.412 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -8.059 -29.950 -13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.459 -28.655 -14.560 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -8.229 -30.080 -16.193 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.578 -30.655 -16.077 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.320 -32.503 -14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.971 -31.924 -14.669 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -9.000 -32.317 -17.118 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -7.320 -32.811 -17.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -8.613 -34.764 -17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -8.021 -34.591 -15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -9.632 -34.187 -15.828 1.00 0.00 H new ATOM 338 N TYR A 773 -4.439 -28.804 -11.917 1.00 0.00 N ATOM 339 CA TYR A 773 -3.898 -27.778 -11.003 1.00 0.00 C ATOM 340 C TYR A 773 -2.414 -27.468 -11.284 1.00 0.00 C ATOM 341 O TYR A 773 -1.724 -28.297 -11.892 1.00 0.00 O ATOM 342 CB TYR A 773 -4.077 -28.233 -9.544 1.00 0.00 C ATOM 343 CG TYR A 773 -3.192 -29.396 -9.118 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.848 -29.164 -8.769 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.709 -30.707 -9.051 1.00 0.00 C ATOM 346 CE1 TYR A 773 -1.009 -30.233 -8.417 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.889 -31.769 -8.628 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.532 -31.537 -8.338 1.00 0.00 C ATOM 349 OH TYR A 773 -0.730 -32.573 -7.978 1.00 0.00 O ATOM 0 H TYR A 773 -3.807 -29.596 -12.035 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.457 -26.858 -11.174 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.878 -27.386 -8.888 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.119 -28.515 -9.393 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.460 -28.156 -8.772 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.736 -30.896 -9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.035 -30.055 -8.207 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -3.301 -32.762 -8.526 1.00 0.00 H new ATOM 0 HH TYR A 773 -1.093 -33.408 -8.340 1.00 0.00 H new ATOM 359 N THR A 774 -1.909 -26.323 -10.788 1.00 0.00 N ATOM 360 CA THR A 774 -0.487 -25.939 -10.848 1.00 0.00 C ATOM 361 C THR A 774 0.104 -25.832 -9.443 1.00 0.00 C ATOM 362 O THR A 774 -0.407 -25.071 -8.623 1.00 0.00 O ATOM 363 CB THR A 774 -0.289 -24.620 -11.610 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.067 -24.617 -12.791 1.00 0.00 O ATOM 365 CG2 THR A 774 1.175 -24.394 -12.008 1.00 0.00 C ATOM 0 H THR A 774 -2.491 -25.625 -10.325 1.00 0.00 H new ATOM 0 HA THR A 774 0.040 -26.723 -11.392 1.00 0.00 H new ATOM 0 HB THR A 774 -0.599 -23.821 -10.936 1.00 0.00 H new ATOM 0 HG1 THR A 774 -0.598 -25.115 -13.493 1.00 0.00 H new ATOM 0 HG21 THR A 774 1.265 -23.449 -12.544 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.795 -24.363 -11.112 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.507 -25.209 -12.651 1.00 0.00 H new ATOM 373 N HIS A 775 1.184 -26.562 -9.179 1.00 0.00 N ATOM 374 CA HIS A 775 1.998 -26.522 -7.949 1.00 0.00 C ATOM 375 C HIS A 775 3.496 -26.294 -8.292 1.00 0.00 C ATOM 376 O HIS A 775 3.877 -26.255 -9.465 1.00 0.00 O ATOM 377 CB HIS A 775 1.847 -27.859 -7.188 1.00 0.00 C ATOM 378 CG HIS A 775 0.624 -28.059 -6.319 1.00 0.00 C ATOM 379 ND1 HIS A 775 0.388 -29.182 -5.555 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.410 -27.186 -6.070 1.00 0.00 C ATOM 381 CE1 HIS A 775 -0.760 -28.998 -4.880 1.00 0.00 C ATOM 382 NE2 HIS A 775 -1.282 -27.793 -5.159 1.00 0.00 N ATOM 0 H HIS A 775 1.543 -27.240 -9.852 1.00 0.00 H new ATOM 0 HA HIS A 775 1.650 -25.697 -7.327 1.00 0.00 H new ATOM 0 HB2 HIS A 775 1.867 -28.663 -7.923 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.727 -27.983 -6.556 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -0.528 -26.203 -6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 775 -1.201 -29.719 -4.207 1.00 0.00 H new ATOM 0 HE2 HIS A 775 -2.143 -27.398 -4.782 1.00 0.00 H new ATOM 390 N PHE A 776 4.364 -26.182 -7.281 1.00 0.00 N ATOM 391 CA PHE A 776 5.824 -26.087 -7.445 1.00 0.00 C ATOM 392 C PHE A 776 6.432 -27.432 -7.899 1.00 0.00 C ATOM 393 O PHE A 776 7.365 -27.460 -8.701 1.00 0.00 O ATOM 394 CB PHE A 776 6.465 -25.628 -6.115 1.00 0.00 C ATOM 395 CG PHE A 776 5.590 -24.746 -5.245 1.00 0.00 C ATOM 396 CD1 PHE A 776 5.309 -23.425 -5.634 1.00 0.00 C ATOM 397 CD2 PHE A 776 4.984 -25.280 -4.092 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.391 -22.657 -4.895 1.00 0.00 C ATOM 399 CE2 PHE A 776 4.068 -24.512 -3.352 1.00 0.00 C ATOM 400 CZ PHE A 776 3.766 -23.203 -3.761 1.00 0.00 C ATOM 0 H PHE A 776 4.068 -26.154 -6.305 1.00 0.00 H new ATOM 0 HA PHE A 776 6.035 -25.354 -8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 776 6.746 -26.512 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 776 7.385 -25.089 -6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.797 -23.000 -6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 776 5.224 -26.284 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.166 -21.646 -5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 776 3.598 -24.927 -2.472 1.00 0.00 H new ATOM 0 HZ PHE A 776 3.052 -22.615 -3.203 1.00 0.00 H new ATOM 410 N LYS A 777 5.900 -28.550 -7.377 1.00 0.00 N ATOM 411 CA LYS A 777 6.336 -29.938 -7.620 1.00 0.00 C ATOM 412 C LYS A 777 5.123 -30.904 -7.688 1.00 0.00 C ATOM 413 O LYS A 777 4.083 -30.603 -7.075 1.00 0.00 O ATOM 414 CB LYS A 777 7.283 -30.365 -6.481 1.00 0.00 C ATOM 415 CG LYS A 777 8.573 -29.537 -6.410 1.00 0.00 C ATOM 416 CD LYS A 777 9.467 -30.048 -5.277 1.00 0.00 C ATOM 417 CE LYS A 777 10.712 -29.165 -5.151 1.00 0.00 C ATOM 418 NZ LYS A 777 11.611 -29.639 -4.067 1.00 0.00 N ATOM 0 H LYS A 777 5.107 -28.508 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 777 6.852 -29.984 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 777 6.755 -30.282 -5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.543 -31.416 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 777 9.106 -29.598 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 777 8.331 -28.487 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 777 8.914 -30.047 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 777 9.761 -31.079 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 777 11.253 -29.161 -6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 777 10.411 -28.137 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 12.443 -29.018 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 11.102 -29.620 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 11.918 -30.612 -4.271 1.00 0.00 H new ATOM 432 N PRO A 778 5.225 -32.052 -8.392 1.00 0.00 N ATOM 433 CA PRO A 778 4.159 -33.048 -8.434 1.00 0.00 C ATOM 434 C PRO A 778 4.140 -33.844 -7.122 1.00 0.00 C ATOM 435 O PRO A 778 5.169 -34.002 -6.465 1.00 0.00 O ATOM 436 CB PRO A 778 4.479 -33.930 -9.642 1.00 0.00 C ATOM 437 CG PRO A 778 6.009 -33.907 -9.705 1.00 0.00 C ATOM 438 CD PRO A 778 6.371 -32.518 -9.174 1.00 0.00 C ATOM 0 HA PRO A 778 3.167 -32.606 -8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 778 4.098 -34.943 -9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 778 4.034 -33.537 -10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.447 -34.696 -9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.370 -34.054 -10.723 1.00 0.00 H new ATOM 0 HD2 PRO A 778 7.268 -32.562 -8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.583 -31.833 -9.995 1.00 0.00 H new ATOM 446 N LYS A 779 2.969 -34.361 -6.741 1.00 0.00 N ATOM 447 CA LYS A 779 2.837 -35.135 -5.500 1.00 0.00 C ATOM 448 C LYS A 779 3.387 -36.561 -5.651 1.00 0.00 C ATOM 449 O LYS A 779 3.461 -37.131 -6.744 1.00 0.00 O ATOM 450 CB LYS A 779 1.373 -35.167 -5.026 1.00 0.00 C ATOM 451 CG LYS A 779 0.819 -33.761 -4.778 1.00 0.00 C ATOM 452 CD LYS A 779 -0.546 -33.723 -4.078 1.00 0.00 C ATOM 453 CE LYS A 779 -1.614 -34.695 -4.610 1.00 0.00 C ATOM 454 NZ LYS A 779 -1.918 -34.499 -6.048 1.00 0.00 N ATOM 0 H LYS A 779 2.102 -34.260 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 779 3.437 -34.631 -4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.761 -35.671 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 779 1.302 -35.752 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 779 1.536 -33.204 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.736 -33.244 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -0.393 -33.930 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -0.940 -32.709 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -1.274 -35.719 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.529 -34.571 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -2.948 -34.447 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -1.481 -33.615 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -1.538 -35.298 -6.595 1.00 0.00 H new ATOM 468 N GLU A 780 3.690 -37.180 -4.512 1.00 0.00 N ATOM 469 CA GLU A 780 4.157 -38.565 -4.437 1.00 0.00 C ATOM 470 C GLU A 780 3.131 -39.539 -5.031 1.00 0.00 C ATOM 471 O GLU A 780 3.507 -40.476 -5.737 1.00 0.00 O ATOM 472 CB GLU A 780 4.495 -38.961 -2.986 1.00 0.00 C ATOM 473 CG GLU A 780 5.549 -38.054 -2.320 1.00 0.00 C ATOM 474 CD GLU A 780 4.917 -36.926 -1.485 1.00 0.00 C ATOM 475 OE1 GLU A 780 4.268 -36.024 -2.068 1.00 0.00 O ATOM 476 OE2 GLU A 780 5.056 -36.937 -0.238 1.00 0.00 O ATOM 0 H GLU A 780 3.617 -36.728 -3.601 1.00 0.00 H new ATOM 0 HA GLU A 780 5.067 -38.630 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 780 3.582 -38.937 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 780 4.856 -39.989 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.191 -38.659 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.186 -37.618 -3.090 1.00 0.00 H new ATOM 483 N THR A 781 1.833 -39.282 -4.808 1.00 0.00 N ATOM 484 CA THR A 781 0.718 -40.019 -5.409 1.00 0.00 C ATOM 485 C THR A 781 0.636 -39.786 -6.909 1.00 0.00 C ATOM 486 O THR A 781 0.453 -40.752 -7.642 1.00 0.00 O ATOM 487 CB THR A 781 -0.614 -39.643 -4.743 1.00 0.00 C ATOM 488 OG1 THR A 781 -0.704 -38.240 -4.595 1.00 0.00 O ATOM 489 CG2 THR A 781 -0.715 -40.287 -3.359 1.00 0.00 C ATOM 0 H THR A 781 1.525 -38.534 -4.187 1.00 0.00 H new ATOM 0 HA THR A 781 0.907 -41.079 -5.241 1.00 0.00 H new ATOM 0 HB THR A 781 -1.425 -40.002 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 781 -1.557 -38.010 -4.171 1.00 0.00 H new ATOM 0 HG21 THR A 781 -1.664 -40.012 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 781 -0.660 -41.371 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 781 0.107 -39.937 -2.734 1.00 0.00 H new ATOM 497 N CYS A 782 0.843 -38.559 -7.390 1.00 0.00 N ATOM 498 CA CYS A 782 0.838 -38.229 -8.820 1.00 0.00 C ATOM 499 C CYS A 782 1.986 -38.929 -9.566 1.00 0.00 C ATOM 500 O CYS A 782 1.782 -39.477 -10.652 1.00 0.00 O ATOM 501 CB CYS A 782 0.899 -36.702 -9.005 1.00 0.00 C ATOM 502 SG CYS A 782 -0.684 -35.958 -8.505 1.00 0.00 S ATOM 0 H CYS A 782 1.022 -37.754 -6.790 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.092 -38.596 -9.255 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.711 -36.286 -8.409 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.112 -36.461 -10.046 1.00 0.00 H new ATOM 0 HG CYS A 782 -1.621 -36.344 -9.319 1.00 0.00 H new ATOM 507 N VAL A 783 3.182 -38.944 -8.971 1.00 0.00 N ATOM 508 CA VAL A 783 4.349 -39.670 -9.498 1.00 0.00 C ATOM 509 C VAL A 783 4.117 -41.193 -9.464 1.00 0.00 C ATOM 510 O VAL A 783 4.401 -41.873 -10.450 1.00 0.00 O ATOM 511 CB VAL A 783 5.649 -39.264 -8.756 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.859 -40.101 -9.204 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.971 -37.779 -9.016 1.00 0.00 C ATOM 0 H VAL A 783 3.373 -38.448 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 783 4.477 -39.386 -10.543 1.00 0.00 H new ATOM 0 HB VAL A 783 5.471 -39.442 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.746 -39.780 -8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.668 -41.155 -9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.022 -39.962 -10.273 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.886 -37.507 -8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.107 -37.618 -10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 783 5.149 -37.160 -8.657 1.00 0.00 H new ATOM 523 N SER A 784 3.571 -41.730 -8.369 1.00 0.00 N ATOM 524 CA SER A 784 3.308 -43.172 -8.211 1.00 0.00 C ATOM 525 C SER A 784 2.200 -43.697 -9.159 1.00 0.00 C ATOM 526 O SER A 784 2.333 -44.778 -9.741 1.00 0.00 O ATOM 527 CB SER A 784 2.957 -43.459 -6.743 1.00 0.00 C ATOM 528 OG SER A 784 2.859 -44.857 -6.493 1.00 0.00 O ATOM 0 H SER A 784 3.295 -41.176 -7.558 1.00 0.00 H new ATOM 0 HA SER A 784 4.215 -43.708 -8.491 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.718 -43.025 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.012 -42.977 -6.493 1.00 0.00 H new ATOM 0 HG SER A 784 2.636 -45.006 -5.550 1.00 0.00 H new ATOM 534 N GLU A 785 1.130 -42.920 -9.365 1.00 0.00 N ATOM 535 CA GLU A 785 0.030 -43.224 -10.297 1.00 0.00 C ATOM 536 C GLU A 785 0.371 -42.881 -11.764 1.00 0.00 C ATOM 537 O GLU A 785 -0.420 -43.172 -12.663 1.00 0.00 O ATOM 538 CB GLU A 785 -1.243 -42.477 -9.853 1.00 0.00 C ATOM 539 CG GLU A 785 -1.830 -42.971 -8.523 1.00 0.00 C ATOM 540 CD GLU A 785 -2.431 -44.384 -8.636 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.544 -44.537 -9.194 1.00 0.00 O ATOM 542 OE2 GLU A 785 -1.805 -45.356 -8.157 1.00 0.00 O ATOM 0 H GLU A 785 0.999 -42.035 -8.875 1.00 0.00 H new ATOM 0 HA GLU A 785 -0.137 -44.301 -10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -1.015 -41.415 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -2.000 -42.577 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -1.050 -42.971 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -2.601 -42.277 -8.189 1.00 0.00 H new ATOM 549 N ASN A 786 1.529 -42.257 -12.026 1.00 0.00 N ATOM 550 CA ASN A 786 2.053 -41.922 -13.356 1.00 0.00 C ATOM 551 C ASN A 786 1.174 -40.881 -14.100 1.00 0.00 C ATOM 552 O ASN A 786 0.904 -41.020 -15.300 1.00 0.00 O ATOM 553 CB ASN A 786 2.346 -43.194 -14.188 1.00 0.00 C ATOM 554 CG ASN A 786 3.292 -44.160 -13.487 1.00 0.00 C ATOM 555 OD1 ASN A 786 4.495 -43.937 -13.397 1.00 0.00 O ATOM 556 ND2 ASN A 786 2.781 -45.263 -12.968 1.00 0.00 N ATOM 0 H ASN A 786 2.155 -41.958 -11.278 1.00 0.00 H new ATOM 0 HA ASN A 786 3.013 -41.426 -13.211 1.00 0.00 H new ATOM 0 HB2 ASN A 786 1.407 -43.705 -14.403 1.00 0.00 H new ATOM 0 HB3 ASN A 786 2.777 -42.903 -15.146 1.00 0.00 H new ATOM 0 HD21 ASN A 786 3.387 -45.931 -12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 786 1.781 -45.446 -13.044 1.00 0.00 H new ATOM 563 N HIS A 787 0.710 -39.843 -13.388 1.00 0.00 N ATOM 564 CA HIS A 787 0.014 -38.689 -13.969 1.00 0.00 C ATOM 565 C HIS A 787 0.923 -37.968 -14.979 1.00 0.00 C ATOM 566 O HIS A 787 2.151 -37.967 -14.848 1.00 0.00 O ATOM 567 CB HIS A 787 -0.474 -37.726 -12.864 1.00 0.00 C ATOM 568 CG HIS A 787 -1.619 -38.230 -11.998 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.363 -37.485 -11.076 1.00 0.00 N ATOM 570 CD2 HIS A 787 -2.134 -39.502 -12.024 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.305 -38.324 -10.580 1.00 0.00 C ATOM 572 NE2 HIS A 787 -3.184 -39.540 -11.134 1.00 0.00 N ATOM 0 H HIS A 787 0.811 -39.783 -12.375 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.866 -39.048 -14.503 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.370 -37.492 -12.215 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.784 -36.793 -13.334 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.781 -40.322 -12.631 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -4.047 -38.052 -9.844 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.768 -40.351 -10.931 1.00 0.00 H new ATOM 580 N ASP A 788 0.324 -37.334 -15.989 1.00 0.00 N ATOM 581 CA ASP A 788 1.029 -36.484 -16.957 1.00 0.00 C ATOM 582 C ASP A 788 1.138 -35.042 -16.437 1.00 0.00 C ATOM 583 O ASP A 788 0.193 -34.532 -15.828 1.00 0.00 O ATOM 584 CB ASP A 788 0.300 -36.505 -18.309 1.00 0.00 C ATOM 585 CG ASP A 788 0.434 -37.852 -19.036 1.00 0.00 C ATOM 586 OD1 ASP A 788 1.559 -38.173 -19.493 1.00 0.00 O ATOM 587 OD2 ASP A 788 -0.586 -38.569 -19.161 1.00 0.00 O ATOM 0 H ASP A 788 -0.679 -37.396 -16.162 1.00 0.00 H new ATOM 0 HA ASP A 788 2.036 -36.878 -17.091 1.00 0.00 H new ATOM 0 HB2 ASP A 788 -0.756 -36.286 -18.151 1.00 0.00 H new ATOM 0 HB3 ASP A 788 0.698 -35.713 -18.944 1.00 0.00 H new ATOM 592 N PHE A 789 2.267 -34.372 -16.689 1.00 0.00 N ATOM 593 CA PHE A 789 2.489 -32.981 -16.274 1.00 0.00 C ATOM 594 C PHE A 789 3.251 -32.164 -17.330 1.00 0.00 C ATOM 595 O PHE A 789 4.061 -32.694 -18.088 1.00 0.00 O ATOM 596 CB PHE A 789 3.198 -32.885 -14.904 1.00 0.00 C ATOM 597 CG PHE A 789 3.558 -34.156 -14.158 1.00 0.00 C ATOM 598 CD1 PHE A 789 2.654 -34.724 -13.239 1.00 0.00 C ATOM 599 CD2 PHE A 789 4.834 -34.732 -14.315 1.00 0.00 C ATOM 600 CE1 PHE A 789 3.019 -35.855 -12.484 1.00 0.00 C ATOM 601 CE2 PHE A 789 5.201 -35.866 -13.567 1.00 0.00 C ATOM 602 CZ PHE A 789 4.295 -36.423 -12.643 1.00 0.00 C ATOM 0 H PHE A 789 3.057 -34.780 -17.189 1.00 0.00 H new ATOM 0 HA PHE A 789 1.496 -32.544 -16.171 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.119 -32.321 -15.052 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.562 -32.290 -14.248 1.00 0.00 H new ATOM 0 HD1 PHE A 789 1.674 -34.289 -13.113 1.00 0.00 H new ATOM 0 HD2 PHE A 789 5.535 -34.300 -15.014 1.00 0.00 H new ATOM 0 HE1 PHE A 789 2.319 -36.286 -11.783 1.00 0.00 H new ATOM 0 HE2 PHE A 789 6.177 -36.309 -13.701 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.580 -37.285 -12.058 1.00 0.00 H new ATOM 612 N HIS A 790 3.018 -30.853 -17.329 1.00 0.00 N ATOM 613 CA HIS A 790 3.821 -29.857 -18.043 1.00 0.00 C ATOM 614 C HIS A 790 4.590 -28.995 -17.018 1.00 0.00 C ATOM 615 O HIS A 790 3.977 -28.390 -16.140 1.00 0.00 O ATOM 616 CB HIS A 790 2.900 -28.958 -18.887 1.00 0.00 C ATOM 617 CG HIS A 790 2.400 -29.532 -20.191 1.00 0.00 C ATOM 618 ND1 HIS A 790 2.179 -28.809 -21.345 1.00 0.00 N ATOM 619 CD2 HIS A 790 2.013 -30.822 -20.456 1.00 0.00 C ATOM 620 CE1 HIS A 790 1.690 -29.642 -22.278 1.00 0.00 C ATOM 621 NE2 HIS A 790 1.559 -30.884 -21.778 1.00 0.00 N ATOM 0 H HIS A 790 2.240 -30.439 -16.815 1.00 0.00 H new ATOM 0 HA HIS A 790 4.529 -30.362 -18.701 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.035 -28.691 -18.279 1.00 0.00 H new ATOM 0 HB3 HIS A 790 3.434 -28.033 -19.105 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.052 -31.649 -19.762 1.00 0.00 H new ATOM 0 HE1 HIS A 790 1.437 -29.355 -23.288 1.00 0.00 H new ATOM 0 HE2 HIS A 790 1.201 -31.706 -22.265 1.00 0.00 H new ATOM 629 N TRP A 791 5.921 -28.916 -17.143 1.00 0.00 N ATOM 630 CA TRP A 791 6.774 -28.028 -16.343 1.00 0.00 C ATOM 631 C TRP A 791 6.968 -26.655 -17.019 1.00 0.00 C ATOM 632 O TRP A 791 7.008 -26.550 -18.245 1.00 0.00 O ATOM 633 CB TRP A 791 8.128 -28.705 -16.084 1.00 0.00 C ATOM 634 CG TRP A 791 8.115 -29.846 -15.104 1.00 0.00 C ATOM 635 CD1 TRP A 791 7.888 -31.146 -15.408 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.361 -29.815 -13.663 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.002 -31.914 -14.265 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.308 -31.149 -13.161 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.614 -28.794 -12.722 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.546 -31.458 -11.813 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.841 -29.090 -11.363 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.822 -30.419 -10.912 1.00 0.00 C ATOM 0 H TRP A 791 6.444 -29.477 -17.815 1.00 0.00 H new ATOM 0 HA TRP A 791 6.275 -27.846 -15.391 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.517 -29.072 -17.034 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.827 -27.950 -15.724 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.654 -31.524 -16.392 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.875 -32.926 -14.242 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.634 -27.765 -13.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.517 -32.483 -11.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 9.031 -28.289 -10.664 1.00 0.00 H new ATOM 0 HH2 TRP A 791 9.019 -30.641 -9.874 1.00 0.00 H new ATOM 653 N HIS A 792 7.120 -25.604 -16.214 1.00 0.00 N ATOM 654 CA HIS A 792 7.276 -24.195 -16.616 1.00 0.00 C ATOM 655 C HIS A 792 7.759 -23.338 -15.422 1.00 0.00 C ATOM 656 O HIS A 792 8.121 -23.886 -14.377 1.00 0.00 O ATOM 657 CB HIS A 792 5.963 -23.682 -17.255 1.00 0.00 C ATOM 658 CG HIS A 792 4.739 -23.683 -16.364 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.059 -22.575 -15.912 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.019 -24.780 -15.963 1.00 0.00 C ATOM 661 CE1 HIS A 792 2.967 -22.997 -15.249 1.00 0.00 C ATOM 662 NE2 HIS A 792 2.891 -24.345 -15.257 1.00 0.00 N ATOM 0 H HIS A 792 7.140 -25.714 -15.200 1.00 0.00 H new ATOM 0 HA HIS A 792 8.051 -24.110 -17.378 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.129 -22.664 -17.607 1.00 0.00 H new ATOM 0 HB3 HIS A 792 5.748 -24.292 -18.132 1.00 0.00 H new ATOM 0 HD1 HIS A 792 4.335 -21.603 -16.055 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.280 -25.810 -16.160 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.248 -22.345 -14.774 1.00 0.00 H new ATOM 670 N ASN A 793 7.785 -22.004 -15.539 1.00 0.00 N ATOM 671 CA ASN A 793 8.145 -21.077 -14.455 1.00 0.00 C ATOM 672 C ASN A 793 6.941 -20.270 -13.932 1.00 0.00 C ATOM 673 O ASN A 793 5.963 -20.045 -14.648 1.00 0.00 O ATOM 674 CB ASN A 793 9.271 -20.144 -14.925 1.00 0.00 C ATOM 675 CG ASN A 793 10.609 -20.866 -15.022 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.121 -21.140 -16.102 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.202 -21.219 -13.894 1.00 0.00 N ATOM 0 H ASN A 793 7.551 -21.527 -16.410 1.00 0.00 H new ATOM 0 HA ASN A 793 8.495 -21.676 -13.614 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.013 -19.727 -15.898 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.360 -19.307 -14.233 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.089 -21.721 -13.920 1.00 0.00 H new ATOM 0 HD22 ASN A 793 10.772 -20.989 -12.998 1.00 0.00 H new ATOM 684 N GLY A 794 7.027 -19.838 -12.668 1.00 0.00 N ATOM 685 CA GLY A 794 6.013 -19.049 -11.955 1.00 0.00 C ATOM 686 C GLY A 794 6.581 -18.266 -10.762 1.00 0.00 C ATOM 687 O GLY A 794 7.801 -18.177 -10.613 1.00 0.00 O ATOM 0 H GLY A 794 7.842 -20.037 -12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.550 -18.350 -12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.226 -19.716 -11.602 1.00 0.00 H new ATOM 691 N VAL A 795 5.706 -17.695 -9.929 1.00 0.00 N ATOM 692 CA VAL A 795 6.059 -16.946 -8.703 1.00 0.00 C ATOM 693 C VAL A 795 5.191 -17.413 -7.532 1.00 0.00 C ATOM 694 O VAL A 795 3.969 -17.501 -7.662 1.00 0.00 O ATOM 695 CB VAL A 795 5.906 -15.416 -8.889 1.00 0.00 C ATOM 696 CG1 VAL A 795 6.070 -14.639 -7.573 1.00 0.00 C ATOM 697 CG2 VAL A 795 6.936 -14.876 -9.896 1.00 0.00 C ATOM 0 H VAL A 795 4.699 -17.738 -10.088 1.00 0.00 H new ATOM 0 HA VAL A 795 7.108 -17.151 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 795 4.893 -15.264 -9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 795 5.953 -13.572 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.312 -14.966 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 795 7.061 -14.827 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 795 6.806 -13.800 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 795 7.943 -15.084 -9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.790 -15.361 -10.861 1.00 0.00 H new ATOM 707 N LYS A 796 5.825 -17.692 -6.390 1.00 0.00 N ATOM 708 CA LYS A 796 5.182 -18.243 -5.187 1.00 0.00 C ATOM 709 C LYS A 796 4.927 -17.199 -4.081 1.00 0.00 C ATOM 710 O LYS A 796 5.641 -16.195 -3.972 1.00 0.00 O ATOM 711 CB LYS A 796 6.026 -19.429 -4.696 1.00 0.00 C ATOM 712 CG LYS A 796 7.318 -18.984 -3.986 1.00 0.00 C ATOM 713 CD LYS A 796 8.446 -20.010 -4.101 1.00 0.00 C ATOM 714 CE LYS A 796 8.048 -21.374 -3.512 1.00 0.00 C ATOM 715 NZ LYS A 796 9.166 -22.349 -3.566 1.00 0.00 N ATOM 0 H LYS A 796 6.826 -17.538 -6.270 1.00 0.00 H new ATOM 0 HA LYS A 796 4.182 -18.584 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 796 5.431 -20.035 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 796 6.282 -20.063 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.651 -18.037 -4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 796 7.104 -18.804 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.718 -20.133 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 796 9.330 -19.636 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 796 7.730 -21.244 -2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 796 7.194 -21.771 -4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 8.857 -23.255 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 9.453 -22.493 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.973 -21.983 -3.021 1.00 0.00 H new ATOM 729 N ARG A 797 3.875 -17.436 -3.289 1.00 0.00 N ATOM 730 CA ARG A 797 3.171 -16.461 -2.441 1.00 0.00 C ATOM 731 C ARG A 797 2.743 -17.112 -1.122 1.00 0.00 C ATOM 732 O ARG A 797 2.307 -18.264 -1.121 1.00 0.00 O ATOM 733 CB ARG A 797 1.931 -15.935 -3.197 1.00 0.00 C ATOM 734 CG ARG A 797 2.312 -15.394 -4.584 1.00 0.00 C ATOM 735 CD ARG A 797 1.202 -14.651 -5.327 1.00 0.00 C ATOM 736 NE ARG A 797 1.808 -13.721 -6.296 1.00 0.00 N ATOM 737 CZ ARG A 797 1.905 -13.828 -7.616 1.00 0.00 C ATOM 738 NH1 ARG A 797 1.385 -14.826 -8.306 1.00 0.00 N ATOM 739 NH2 ARG A 797 2.568 -12.902 -8.274 1.00 0.00 N ATOM 0 H ARG A 797 3.466 -18.368 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 797 3.841 -15.632 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 797 1.201 -16.737 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 797 1.455 -15.146 -2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 797 3.163 -14.722 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 797 2.644 -16.228 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 797 0.554 -15.360 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 797 0.578 -14.104 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 797 2.211 -12.874 -5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 797 0.876 -15.568 -7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 797 1.492 -14.855 -9.320 1.00 0.00 H new ATOM 0 HH21 ARG A 797 2.994 -12.124 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 797 2.657 -12.962 -9.288 1.00 0.00 H new ATOM 753 N PHE A 798 2.880 -16.388 -0.010 1.00 0.00 N ATOM 754 CA PHE A 798 2.880 -16.948 1.349 1.00 0.00 C ATOM 755 C PHE A 798 1.641 -16.521 2.150 1.00 0.00 C ATOM 756 O PHE A 798 1.313 -15.331 2.194 1.00 0.00 O ATOM 757 CB PHE A 798 4.175 -16.510 2.056 1.00 0.00 C ATOM 758 CG PHE A 798 5.421 -16.684 1.206 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.895 -17.977 0.920 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.069 -15.565 0.651 1.00 0.00 C ATOM 761 CE1 PHE A 798 7.013 -18.151 0.085 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.183 -15.739 -0.189 1.00 0.00 C ATOM 763 CZ PHE A 798 7.653 -17.031 -0.474 1.00 0.00 C ATOM 0 H PHE A 798 2.997 -15.375 -0.026 1.00 0.00 H new ATOM 0 HA PHE A 798 2.840 -18.035 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 798 4.085 -15.463 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.289 -17.085 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.399 -18.838 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.710 -14.570 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.380 -19.144 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.677 -14.879 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.506 -17.164 -1.123 1.00 0.00 H new ATOM 773 N PHE A 799 0.981 -17.478 2.804 1.00 0.00 N ATOM 774 CA PHE A 799 -0.276 -17.262 3.533 1.00 0.00 C ATOM 775 C PHE A 799 -0.275 -17.862 4.944 1.00 0.00 C ATOM 776 O PHE A 799 0.397 -18.858 5.215 1.00 0.00 O ATOM 777 CB PHE A 799 -1.450 -17.829 2.721 1.00 0.00 C ATOM 778 CG PHE A 799 -1.549 -17.263 1.319 1.00 0.00 C ATOM 779 CD1 PHE A 799 -0.850 -17.873 0.261 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.274 -16.076 1.094 1.00 0.00 C ATOM 781 CE1 PHE A 799 -0.856 -17.282 -1.013 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.272 -15.488 -0.178 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.556 -16.084 -1.229 1.00 0.00 C ATOM 0 H PHE A 799 1.308 -18.443 2.844 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.385 -16.185 3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.348 -18.913 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.380 -17.626 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.310 -18.793 0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -2.830 -15.620 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.322 -17.749 -1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -2.822 -14.575 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.544 -15.620 -2.204 1.00 0.00 H new ATOM 793 N LYS A 800 -1.078 -17.266 5.830 1.00 0.00 N ATOM 794 CA LYS A 800 -1.248 -17.649 7.240 1.00 0.00 C ATOM 795 C LYS A 800 -2.727 -17.638 7.673 1.00 0.00 C ATOM 796 O LYS A 800 -3.528 -16.829 7.200 1.00 0.00 O ATOM 797 CB LYS A 800 -0.386 -16.708 8.099 1.00 0.00 C ATOM 798 CG LYS A 800 -0.403 -17.029 9.602 1.00 0.00 C ATOM 799 CD LYS A 800 0.597 -16.146 10.360 1.00 0.00 C ATOM 800 CE LYS A 800 0.561 -16.489 11.852 1.00 0.00 C ATOM 801 NZ LYS A 800 1.504 -15.640 12.625 1.00 0.00 N ATOM 0 H LYS A 800 -1.656 -16.465 5.574 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.916 -18.678 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.643 -16.750 7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.732 -15.684 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.406 -16.874 10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.157 -18.080 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.602 -16.298 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.352 -15.094 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.451 -16.353 12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.816 -17.539 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.456 -15.896 13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.472 -15.789 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.245 -14.639 12.510 1.00 0.00 H new ATOM 815 N CYS A 801 -3.090 -18.562 8.561 1.00 0.00 N ATOM 816 CA CYS A 801 -4.411 -18.731 9.180 1.00 0.00 C ATOM 817 C CYS A 801 -4.385 -18.221 10.646 1.00 0.00 C ATOM 818 O CYS A 801 -3.337 -18.352 11.297 1.00 0.00 O ATOM 819 CB CYS A 801 -4.705 -20.236 9.117 1.00 0.00 C ATOM 820 SG CYS A 801 -6.393 -20.643 9.661 1.00 0.00 S ATOM 0 H CYS A 801 -2.426 -19.262 8.892 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.183 -18.159 8.666 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.562 -20.588 8.095 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -3.988 -20.769 9.741 1.00 0.00 H new ATOM 0 HG CYS A 801 -6.751 -21.783 9.149 1.00 0.00 H new ATOM 825 N PRO A 802 -5.495 -17.690 11.206 1.00 0.00 N ATOM 826 CA PRO A 802 -5.548 -17.180 12.579 1.00 0.00 C ATOM 827 C PRO A 802 -5.208 -18.191 13.692 1.00 0.00 C ATOM 828 O PRO A 802 -4.843 -17.757 14.784 1.00 0.00 O ATOM 829 CB PRO A 802 -6.959 -16.596 12.757 1.00 0.00 C ATOM 830 CG PRO A 802 -7.773 -17.194 11.613 1.00 0.00 C ATOM 831 CD PRO A 802 -6.726 -17.347 10.516 1.00 0.00 C ATOM 0 HA PRO A 802 -4.760 -16.436 12.697 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.380 -16.866 13.726 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.946 -15.507 12.707 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.218 -18.151 11.887 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.589 -16.539 11.308 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.010 -18.125 9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.614 -16.424 9.948 1.00 0.00 H new ATOM 839 N CYS A 803 -5.272 -19.512 13.448 1.00 0.00 N ATOM 840 CA CYS A 803 -4.812 -20.534 14.408 1.00 0.00 C ATOM 841 C CYS A 803 -3.270 -20.664 14.498 1.00 0.00 C ATOM 842 O CYS A 803 -2.757 -21.290 15.432 1.00 0.00 O ATOM 843 CB CYS A 803 -5.486 -21.878 14.080 1.00 0.00 C ATOM 844 SG CYS A 803 -4.831 -22.596 12.536 1.00 0.00 S ATOM 0 H CYS A 803 -5.643 -19.902 12.582 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.115 -20.207 15.403 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.328 -22.576 14.902 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.562 -21.733 13.987 1.00 0.00 H new ATOM 0 HG CYS A 803 -5.334 -21.966 11.517 1.00 0.00 H new ATOM 849 N GLY A 804 -2.536 -20.058 13.555 1.00 0.00 N ATOM 850 CA GLY A 804 -1.069 -20.091 13.432 1.00 0.00 C ATOM 851 C GLY A 804 -0.542 -21.008 12.322 1.00 0.00 C ATOM 852 O GLY A 804 0.657 -20.980 12.041 1.00 0.00 O ATOM 0 H GLY A 804 -2.970 -19.502 12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.710 -19.078 13.249 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.645 -20.413 14.383 1.00 0.00 H new ATOM 856 N ASN A 805 -1.398 -21.800 11.670 1.00 0.00 N ATOM 857 CA ASN A 805 -1.032 -22.638 10.518 1.00 0.00 C ATOM 858 C ASN A 805 -0.747 -21.799 9.254 1.00 0.00 C ATOM 859 O ASN A 805 -1.314 -20.716 9.085 1.00 0.00 O ATOM 860 CB ASN A 805 -2.155 -23.667 10.281 1.00 0.00 C ATOM 861 CG ASN A 805 -1.830 -24.698 9.197 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.684 -25.092 9.007 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.821 -25.154 8.452 1.00 0.00 N ATOM 0 H ASN A 805 -2.381 -21.880 11.930 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.102 -23.161 10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.360 -24.189 11.216 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.067 -23.138 10.004 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.634 -25.836 7.716 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.773 -24.825 8.612 1.00 0.00 H new ATOM 870 N ARG A 806 0.141 -22.282 8.372 1.00 0.00 N ATOM 871 CA ARG A 806 0.630 -21.559 7.187 1.00 0.00 C ATOM 872 C ARG A 806 0.641 -22.432 5.925 1.00 0.00 C ATOM 873 O ARG A 806 0.643 -23.662 6.016 1.00 0.00 O ATOM 874 CB ARG A 806 2.040 -21.011 7.465 1.00 0.00 C ATOM 875 CG ARG A 806 2.038 -20.090 8.694 1.00 0.00 C ATOM 876 CD ARG A 806 3.347 -19.339 8.908 1.00 0.00 C ATOM 877 NE ARG A 806 4.471 -20.242 9.211 1.00 0.00 N ATOM 878 CZ ARG A 806 5.387 -20.709 8.366 1.00 0.00 C ATOM 879 NH1 ARG A 806 5.391 -20.401 7.085 1.00 0.00 N ATOM 880 NH2 ARG A 806 6.325 -21.513 8.816 1.00 0.00 N ATOM 0 H ARG A 806 0.550 -23.212 8.465 1.00 0.00 H new ATOM 0 HA ARG A 806 -0.061 -20.738 6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.731 -21.839 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.399 -20.462 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 806 1.229 -19.367 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 806 1.823 -20.686 9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 806 3.581 -18.760 8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 806 3.225 -18.628 9.725 1.00 0.00 H new ATOM 0 HE ARG A 806 4.557 -20.544 10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.673 -19.783 6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 806 6.112 -20.781 6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 806 6.345 -21.772 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 806 7.033 -21.878 8.179 1.00 0.00 H new ATOM 894 N THR A 807 0.684 -21.796 4.746 1.00 0.00 N ATOM 895 CA THR A 807 0.758 -22.445 3.425 1.00 0.00 C ATOM 896 C THR A 807 1.368 -21.518 2.377 1.00 0.00 C ATOM 897 O THR A 807 1.655 -20.351 2.640 1.00 0.00 O ATOM 898 CB THR A 807 -0.618 -23.005 3.018 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.433 -23.965 2.002 1.00 0.00 O ATOM 900 CG2 THR A 807 -1.597 -21.944 2.520 1.00 0.00 C ATOM 0 H THR A 807 0.668 -20.778 4.681 1.00 0.00 H new ATOM 0 HA THR A 807 1.435 -23.297 3.493 1.00 0.00 H new ATOM 0 HB THR A 807 -1.058 -23.438 3.916 1.00 0.00 H new ATOM 0 HG1 THR A 807 -0.625 -24.858 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 807 -2.542 -22.417 2.253 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.769 -21.209 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.180 -21.447 1.644 1.00 0.00 H new ATOM 908 N ILE A 808 1.585 -22.056 1.178 1.00 0.00 N ATOM 909 CA ILE A 808 2.171 -21.368 0.016 1.00 0.00 C ATOM 910 C ILE A 808 1.324 -21.699 -1.221 1.00 0.00 C ATOM 911 O ILE A 808 0.863 -22.829 -1.379 1.00 0.00 O ATOM 912 CB ILE A 808 3.660 -21.771 -0.193 1.00 0.00 C ATOM 913 CG1 ILE A 808 4.455 -21.807 1.141 1.00 0.00 C ATOM 914 CG2 ILE A 808 4.348 -20.820 -1.199 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.949 -22.130 1.005 1.00 0.00 C ATOM 0 H ILE A 808 1.348 -23.027 0.975 1.00 0.00 H new ATOM 0 HA ILE A 808 2.163 -20.292 0.188 1.00 0.00 H new ATOM 0 HB ILE A 808 3.660 -22.782 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 808 4.352 -20.839 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.998 -22.548 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 808 5.388 -21.120 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.832 -20.870 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 808 4.310 -19.799 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.412 -22.131 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 808 6.069 -23.112 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 808 6.429 -21.377 0.380 1.00 0.00 H new ATOM 927 N SER A 809 1.137 -20.733 -2.112 1.00 0.00 N ATOM 928 CA SER A 809 0.464 -20.910 -3.408 1.00 0.00 C ATOM 929 C SER A 809 1.171 -20.119 -4.519 1.00 0.00 C ATOM 930 O SER A 809 2.007 -19.249 -4.247 1.00 0.00 O ATOM 931 CB SER A 809 -1.006 -20.485 -3.289 1.00 0.00 C ATOM 932 OG SER A 809 -1.732 -20.810 -4.468 1.00 0.00 O ATOM 0 H SER A 809 1.455 -19.777 -1.956 1.00 0.00 H new ATOM 0 HA SER A 809 0.510 -21.964 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.462 -20.978 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.064 -19.412 -3.107 1.00 0.00 H new ATOM 0 HG SER A 809 -2.666 -20.530 -4.365 1.00 0.00 H new ATOM 938 N LEU A 810 0.834 -20.398 -5.782 1.00 0.00 N ATOM 939 CA LEU A 810 1.199 -19.566 -6.937 1.00 0.00 C ATOM 940 C LEU A 810 0.159 -18.465 -7.201 1.00 0.00 C ATOM 941 O LEU A 810 0.458 -17.478 -7.872 1.00 0.00 O ATOM 942 CB LEU A 810 1.369 -20.488 -8.163 1.00 0.00 C ATOM 943 CG LEU A 810 2.517 -21.517 -8.034 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.464 -22.493 -9.206 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.887 -20.826 -7.983 1.00 0.00 C ATOM 0 H LEU A 810 0.290 -21.223 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 810 2.137 -19.051 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.435 -21.023 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.547 -19.872 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 810 2.385 -22.061 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 810 3.273 -23.217 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.507 -23.016 -9.201 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.573 -21.944 -10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.671 -21.578 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 810 4.039 -20.252 -8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.925 -20.157 -7.124 1.00 0.00 H new ATOM 957 N ASP A 811 -1.056 -18.606 -6.661 1.00 0.00 N ATOM 958 CA ASP A 811 -2.161 -17.646 -6.797 1.00 0.00 C ATOM 959 C ASP A 811 -2.147 -16.572 -5.692 1.00 0.00 C ATOM 960 O ASP A 811 -1.487 -16.719 -4.661 1.00 0.00 O ATOM 961 CB ASP A 811 -3.497 -18.409 -6.802 1.00 0.00 C ATOM 962 CG ASP A 811 -3.675 -19.260 -8.069 1.00 0.00 C ATOM 963 OD1 ASP A 811 -3.874 -18.672 -9.158 1.00 0.00 O ATOM 964 OD2 ASP A 811 -3.638 -20.510 -7.976 1.00 0.00 O ATOM 0 H ASP A 811 -1.308 -19.418 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.035 -17.117 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.549 -19.053 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.320 -17.698 -6.725 1.00 0.00 H new ATOM 969 N ARG A 812 -2.926 -15.504 -5.891 1.00 0.00 N ATOM 970 CA ARG A 812 -3.123 -14.413 -4.920 1.00 0.00 C ATOM 971 C ARG A 812 -3.842 -14.827 -3.614 1.00 0.00 C ATOM 972 O ARG A 812 -3.868 -14.037 -2.666 1.00 0.00 O ATOM 973 CB ARG A 812 -3.853 -13.240 -5.608 1.00 0.00 C ATOM 974 CG ARG A 812 -5.291 -13.567 -6.045 1.00 0.00 C ATOM 975 CD ARG A 812 -5.953 -12.346 -6.691 1.00 0.00 C ATOM 976 NE ARG A 812 -7.307 -12.669 -7.186 1.00 0.00 N ATOM 977 CZ ARG A 812 -8.452 -12.548 -6.520 1.00 0.00 C ATOM 978 NH1 ARG A 812 -8.506 -12.149 -5.264 1.00 0.00 N ATOM 979 NH2 ARG A 812 -9.582 -12.844 -7.123 1.00 0.00 N ATOM 0 H ARG A 812 -3.453 -15.367 -6.754 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.128 -14.106 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -3.876 -12.390 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.280 -12.932 -6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.282 -14.397 -6.751 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -5.874 -13.889 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.013 -11.535 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -5.337 -11.990 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 812 -7.371 -13.023 -8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -7.647 -11.919 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.407 -12.071 -4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -9.575 -13.163 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -10.466 -12.755 -6.622 1.00 0.00 H new ATOM 993 N LEU A 813 -4.407 -16.035 -3.558 1.00 0.00 N ATOM 994 CA LEU A 813 -5.044 -16.675 -2.401 1.00 0.00 C ATOM 995 C LEU A 813 -5.204 -18.188 -2.692 1.00 0.00 C ATOM 996 O LEU A 813 -5.584 -18.527 -3.815 1.00 0.00 O ATOM 997 CB LEU A 813 -6.417 -16.003 -2.150 1.00 0.00 C ATOM 998 CG LEU A 813 -7.067 -16.291 -0.783 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.312 -15.582 0.353 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.519 -15.799 -0.799 1.00 0.00 C ATOM 0 H LEU A 813 -4.434 -16.638 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.433 -16.557 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.296 -14.925 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.105 -16.323 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.029 -17.366 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -6.794 -15.804 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.280 -15.933 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.325 -14.506 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -8.982 -16.001 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.538 -14.727 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.071 -16.319 -1.582 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.938 -19.104 -1.731 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.145 -20.540 -1.918 1.00 0.00 C ATOM 1014 C PRO A 814 -6.641 -20.875 -1.899 1.00 0.00 C ATOM 1015 O PRO A 814 -7.450 -20.143 -1.331 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.391 -21.217 -0.768 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.490 -20.179 0.351 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.421 -18.849 -0.391 1.00 0.00 C ATOM 0 HA PRO A 814 -4.774 -20.888 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.850 -22.164 -0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.355 -21.431 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.420 -20.279 0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.675 -20.282 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.014 -18.089 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.397 -18.479 -0.433 1.00 0.00 H new ATOM 1026 N LYS A 815 -7.016 -21.998 -2.517 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.411 -22.460 -2.609 1.00 0.00 C ATOM 1028 C LYS A 815 -8.866 -23.324 -1.419 1.00 0.00 C ATOM 1029 O LYS A 815 -10.061 -23.429 -1.126 1.00 0.00 O ATOM 1030 CB LYS A 815 -8.552 -23.250 -3.920 1.00 0.00 C ATOM 1031 CG LYS A 815 -7.722 -24.548 -3.947 1.00 0.00 C ATOM 1032 CD LYS A 815 -7.879 -25.241 -5.298 1.00 0.00 C ATOM 1033 CE LYS A 815 -7.054 -26.532 -5.345 1.00 0.00 C ATOM 1034 NZ LYS A 815 -7.263 -27.259 -6.625 1.00 0.00 N ATOM 0 H LYS A 815 -6.353 -22.623 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.057 -21.582 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -9.602 -23.496 -4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -8.247 -22.615 -4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -6.671 -24.321 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -8.047 -25.214 -3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -8.930 -25.469 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -7.559 -24.570 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -5.997 -26.295 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -7.332 -27.175 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -6.692 -28.128 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -8.269 -27.505 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -6.975 -26.653 -7.420 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.911 -24.001 -0.785 1.00 0.00 N ATOM 1049 CA LYS A 816 -8.148 -25.097 0.160 1.00 0.00 C ATOM 1050 C LYS A 816 -8.520 -24.605 1.576 1.00 0.00 C ATOM 1051 O LYS A 816 -8.091 -23.530 2.005 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.909 -26.010 0.193 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.577 -25.259 0.400 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.498 -26.185 0.984 1.00 0.00 C ATOM 1055 CE LYS A 816 -3.209 -25.429 1.333 1.00 0.00 C ATOM 1056 NZ LYS A 816 -2.454 -24.980 0.135 1.00 0.00 N ATOM 0 H LYS A 816 -6.920 -23.798 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 816 -9.013 -25.661 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -7.030 -26.740 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.857 -26.568 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.234 -24.853 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.734 -24.413 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.885 -26.671 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -4.271 -26.973 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -3.458 -24.562 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -2.570 -26.072 1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -1.562 -24.536 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -2.248 -25.799 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -3.023 -24.290 -0.396 1.00 0.00 H new ATOM 1070 N HIS A 817 -9.262 -25.411 2.335 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.458 -25.189 3.775 1.00 0.00 C ATOM 1072 C HIS A 817 -8.202 -25.571 4.595 1.00 0.00 C ATOM 1073 O HIS A 817 -7.326 -26.306 4.122 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.685 -25.979 4.254 1.00 0.00 C ATOM 1075 CG HIS A 817 -12.015 -25.347 3.908 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -13.091 -25.257 4.759 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -12.398 -24.779 2.718 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -14.092 -24.640 4.111 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.717 -24.323 2.857 1.00 0.00 N ATOM 0 H HIS A 817 -9.744 -26.234 1.975 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.628 -24.124 3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -10.649 -26.979 3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.625 -26.098 5.336 1.00 0.00 H new ATOM 0 HD1 HIS A 817 -13.123 -25.600 5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -11.789 -24.698 1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -15.062 -24.428 4.536 1.00 0.00 H new ATOM 1087 N CYS A 818 -8.128 -25.083 5.834 1.00 0.00 N ATOM 1088 CA CYS A 818 -7.028 -25.320 6.763 1.00 0.00 C ATOM 1089 C CYS A 818 -6.906 -26.799 7.176 1.00 0.00 C ATOM 1090 O CYS A 818 -7.888 -27.453 7.536 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.268 -24.413 7.974 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.919 -24.541 9.194 1.00 0.00 S ATOM 0 H CYS A 818 -8.859 -24.492 6.230 1.00 0.00 H new ATOM 0 HA CYS A 818 -6.079 -25.085 6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.360 -23.379 7.641 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.213 -24.681 8.447 1.00 0.00 H new ATOM 0 HG CYS A 818 -5.672 -23.366 9.693 1.00 0.00 H new ATOM 1097 N SER A 819 -5.680 -27.316 7.183 1.00 0.00 N ATOM 1098 CA SER A 819 -5.355 -28.676 7.643 1.00 0.00 C ATOM 1099 C SER A 819 -5.383 -28.826 9.178 1.00 0.00 C ATOM 1100 O SER A 819 -5.363 -29.956 9.673 1.00 0.00 O ATOM 1101 CB SER A 819 -3.952 -29.065 7.141 1.00 0.00 C ATOM 1102 OG SER A 819 -3.840 -28.953 5.725 1.00 0.00 O ATOM 0 H SER A 819 -4.863 -26.795 6.864 1.00 0.00 H new ATOM 0 HA SER A 819 -6.124 -29.333 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.207 -28.425 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.731 -30.089 7.442 1.00 0.00 H new ATOM 0 HG SER A 819 -2.935 -29.207 5.447 1.00 0.00 H new ATOM 1108 N THR A 820 -5.406 -27.709 9.926 1.00 0.00 N ATOM 1109 CA THR A 820 -5.282 -27.688 11.397 1.00 0.00 C ATOM 1110 C THR A 820 -6.626 -27.457 12.088 1.00 0.00 C ATOM 1111 O THR A 820 -6.903 -28.140 13.073 1.00 0.00 O ATOM 1112 CB THR A 820 -4.232 -26.649 11.815 1.00 0.00 C ATOM 1113 OG1 THR A 820 -2.985 -27.038 11.281 1.00 0.00 O ATOM 1114 CG2 THR A 820 -4.052 -26.527 13.333 1.00 0.00 C ATOM 0 H THR A 820 -5.513 -26.779 9.520 1.00 0.00 H new ATOM 0 HA THR A 820 -4.945 -28.671 11.726 1.00 0.00 H new ATOM 0 HB THR A 820 -4.582 -25.687 11.441 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.301 -26.384 11.537 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.294 -25.774 13.550 1.00 0.00 H new ATOM 0 HG22 THR A 820 -4.997 -26.233 13.789 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.736 -27.487 13.740 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.471 -26.542 11.591 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.766 -26.199 12.211 1.00 0.00 C ATOM 1124 C CYS A 821 -10.009 -26.362 11.299 1.00 0.00 C ATOM 1125 O CYS A 821 -11.138 -26.423 11.805 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.679 -24.800 12.845 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.553 -23.467 11.611 1.00 0.00 S ATOM 0 H CYS A 821 -7.276 -26.013 10.741 1.00 0.00 H new ATOM 0 HA CYS A 821 -8.938 -26.944 12.988 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.560 -24.632 13.464 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.813 -24.760 13.505 1.00 0.00 H new ATOM 0 HG CYS A 821 -7.646 -23.774 10.732 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.824 -26.504 9.979 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.850 -26.949 9.028 1.00 0.00 C ATOM 1134 C GLY A 822 -11.684 -25.850 8.360 1.00 0.00 C ATOM 1135 O GLY A 822 -12.468 -26.161 7.465 1.00 0.00 O ATOM 0 H GLY A 822 -8.929 -26.306 9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.361 -27.530 8.246 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.529 -27.624 9.549 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.524 -24.581 8.748 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.206 -23.428 8.143 1.00 0.00 C ATOM 1141 C LEU A 823 -11.402 -22.805 6.974 1.00 0.00 C ATOM 1142 O LEU A 823 -10.366 -23.336 6.560 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.628 -22.439 9.252 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.538 -21.901 10.208 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.342 -21.256 9.496 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.185 -20.872 11.150 1.00 0.00 C ATOM 0 H LEU A 823 -10.901 -24.318 9.511 1.00 0.00 H new ATOM 0 HA LEU A 823 -13.123 -23.761 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -13.101 -21.583 8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.392 -22.926 9.859 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.138 -22.758 10.751 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.624 -20.905 10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.865 -21.991 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.687 -20.413 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.432 -20.480 11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.603 -20.054 10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -12.979 -21.351 11.722 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.883 -21.669 6.457 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.210 -20.859 5.434 1.00 0.00 C ATOM 1160 C PHE A 824 -11.059 -19.405 5.923 1.00 0.00 C ATOM 1161 O PHE A 824 -12.026 -18.638 5.913 1.00 0.00 O ATOM 1162 CB PHE A 824 -12.017 -20.944 4.126 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.302 -20.325 2.936 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.427 -21.110 2.164 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.493 -18.968 2.607 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.737 -20.547 1.082 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -10.805 -18.400 1.518 1.00 0.00 C ATOM 1168 CZ PHE A 824 -9.926 -19.189 0.754 1.00 0.00 C ATOM 0 H PHE A 824 -12.778 -21.276 6.747 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.206 -21.241 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.232 -21.990 3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.975 -20.444 4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.286 -22.153 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.169 -18.362 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.060 -21.154 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -10.952 -17.359 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.397 -18.755 -0.082 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.848 -19.025 6.355 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.490 -17.690 6.891 1.00 0.00 C ATOM 1180 C LYS A 825 -8.039 -17.276 6.538 1.00 0.00 C ATOM 1181 O LYS A 825 -7.377 -16.562 7.302 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.756 -17.639 8.419 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.231 -17.655 8.864 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.003 -16.392 8.441 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.491 -16.469 8.814 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.241 -17.417 7.948 1.00 0.00 N ATOM 0 H LYS A 825 -9.052 -19.662 6.343 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.132 -16.954 6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.252 -18.488 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.290 -16.737 8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.722 -18.532 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.276 -17.755 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.556 -15.519 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.907 -16.253 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.587 -16.778 9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.935 -15.477 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -14.997 -16.907 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.592 -17.841 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.659 -18.167 8.535 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.526 -17.724 5.384 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.182 -17.385 4.905 1.00 0.00 C ATOM 1202 C TRP A 826 -5.991 -15.872 4.696 1.00 0.00 C ATOM 1203 O TRP A 826 -6.863 -15.178 4.165 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.876 -18.144 3.607 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.839 -19.635 3.737 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.712 -20.483 3.162 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -4.884 -20.473 4.461 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.374 -21.785 3.473 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.256 -21.840 4.278 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.745 -20.221 5.253 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.526 -22.900 4.837 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.017 -21.278 5.836 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.400 -22.616 5.631 1.00 0.00 C ATOM 0 H TRP A 826 -8.039 -18.338 4.751 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.480 -17.690 5.681 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.627 -17.878 2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.914 -17.804 3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.551 -20.189 2.549 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -6.887 -22.604 3.148 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.425 -19.202 5.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -4.825 -23.922 4.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.155 -21.058 6.448 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -2.834 -23.419 6.080 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.816 -15.381 5.084 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.359 -13.998 4.923 1.00 0.00 C ATOM 1226 C GLU A 827 -2.958 -13.980 4.305 1.00 0.00 C ATOM 1227 O GLU A 827 -2.082 -14.747 4.716 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.350 -13.325 6.307 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.838 -11.879 6.294 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.153 -11.162 7.617 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -3.372 -11.287 8.591 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -5.194 -10.469 7.693 1.00 0.00 O ATOM 0 H GLU A 827 -4.119 -15.966 5.544 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.029 -13.454 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.362 -13.338 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.729 -13.914 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.762 -11.874 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -4.295 -11.337 5.466 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.734 -13.096 3.325 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.423 -12.916 2.696 1.00 0.00 C ATOM 1241 C ARG A 828 -0.411 -12.373 3.714 1.00 0.00 C ATOM 1242 O ARG A 828 -0.653 -11.347 4.351 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.569 -11.991 1.469 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.265 -11.753 0.690 1.00 0.00 C ATOM 1245 CD ARG A 828 0.256 -13.011 -0.015 1.00 0.00 C ATOM 1246 NE ARG A 828 1.665 -12.843 -0.412 1.00 0.00 N ATOM 1247 CZ ARG A 828 2.115 -12.501 -1.612 1.00 0.00 C ATOM 1248 NH1 ARG A 828 1.337 -12.206 -2.624 1.00 0.00 N ATOM 1249 NH2 ARG A 828 3.399 -12.458 -1.854 1.00 0.00 N ATOM 0 H ARG A 828 -3.458 -12.486 2.947 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.041 -13.877 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.308 -12.420 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -1.960 -11.029 1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.430 -10.971 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.499 -11.386 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.160 -13.871 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.352 -13.218 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 828 2.366 -13.007 0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 828 0.323 -12.232 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 828 1.745 -11.950 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 828 4.065 -12.689 -1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 828 3.735 -12.194 -2.780 1.00 0.00 H new ATOM 1263 N VAL A 829 0.739 -13.040 3.820 1.00 0.00 N ATOM 1264 CA VAL A 829 1.887 -12.633 4.652 1.00 0.00 C ATOM 1265 C VAL A 829 3.149 -12.465 3.796 1.00 0.00 C ATOM 1266 O VAL A 829 3.155 -12.774 2.598 1.00 0.00 O ATOM 1267 CB VAL A 829 2.132 -13.603 5.841 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.964 -13.539 6.839 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.387 -15.059 5.415 1.00 0.00 C ATOM 0 H VAL A 829 0.909 -13.909 3.314 1.00 0.00 H new ATOM 0 HA VAL A 829 1.640 -11.665 5.089 1.00 0.00 H new ATOM 0 HB VAL A 829 3.049 -13.261 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.153 -14.225 7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.870 -12.524 7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 829 0.040 -13.823 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.549 -15.674 6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.523 -15.434 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.270 -15.102 4.777 1.00 0.00 H new ATOM 1279 N GLY A 830 4.217 -11.940 4.409 1.00 0.00 N ATOM 1280 CA GLY A 830 5.485 -11.630 3.751 1.00 0.00 C ATOM 1281 C GLY A 830 6.404 -12.839 3.561 1.00 0.00 C ATOM 1282 O GLY A 830 6.059 -13.976 3.882 1.00 0.00 O ATOM 0 H GLY A 830 4.219 -11.714 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.277 -11.189 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 830 6.011 -10.876 4.337 1.00 0.00 H new