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 816 LYS NZ :NH3+ -174:sc= 1.4 (180deg=0.971) USER MOD Set 1.2: A 819 SER OG : rot -70:sc= 0.354 USER MOD Set 2.1: A 801 CYS SG : rot 60:sc= -0.995 USER MOD Set 2.2: A 803 CYS SG : rot -74:sc= 0.346 USER MOD Set 2.3: A 805 ASN : amide:sc= 1.34 K(o=3.6,f=1.8) USER MOD Set 2.4: A 818 CYS SG : rot 144:sc= 2.56 USER MOD Set 2.5: A 821 CYS SG : rot -44:sc= 0.352 USER MOD Set 3.1: A 775 HIS : no HE2:sc= 0.57 K(o=1.6,f=-10!) USER MOD Set 3.2: A 815 LYS NZ :NH3+ 173:sc= 1.07 (180deg=-0.0401) USER MOD Set 4.1: A 768 CYS SG : rot 167:sc= 0.0703 USER MOD Set 4.2: A 771 CYS SG : rot 80:sc= 0.101 USER MOD Set 4.3: A 773 TYR OH : rot -175:sc= 1.44 USER MOD Set 4.4: A 782 CYS SG : rot -61:sc= 1.42 USER MOD Set 4.5: A 787 HIS : no HD1:sc= 1.15 K(o=4.2,f=-0.99!) USER MOD Set 5.1: A 769 LYS NZ :NH3+ -121:sc= 0.0841 (180deg=-0.0327) USER MOD Set 5.2: A 790 HIS : no HD1:sc= 0.0815 X(o=0.17,f=-0.2) USER MOD Set 6.1: A 767 THR OG1 : rot -70:sc= 0.399 USER MOD Set 6.2: A 774 THR OG1 : rot 180:sc= 0.368 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= -0.179 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 772 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00758) 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= 0.0252 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 792 HIS : no HE2:sc= 0.148 K(o=0.15,f=-0.88) USER MOD Single : A 793 ASN : amide:sc= 0 X(o=0,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 807 THR OG1 : rot -150:sc= 0.106 USER MOD Single : A 809 SER OG : rot -160:sc= 0.0756 USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N ARG A 759 7.321 -8.926 -1.352 1.00 0.00 N ATOM 113 CA ARG A 759 7.524 -10.069 -0.440 1.00 0.00 C ATOM 114 C ARG A 759 7.075 -11.445 -0.982 1.00 0.00 C ATOM 115 O ARG A 759 6.684 -12.324 -0.211 1.00 0.00 O ATOM 116 CB ARG A 759 6.907 -9.727 0.929 1.00 0.00 C ATOM 117 CG ARG A 759 5.372 -9.569 0.889 1.00 0.00 C ATOM 118 CD ARG A 759 4.856 -8.902 2.167 1.00 0.00 C ATOM 119 NE ARG A 759 3.381 -8.913 2.216 1.00 0.00 N ATOM 120 CZ ARG A 759 2.615 -9.077 3.288 1.00 0.00 C ATOM 121 NH1 ARG A 759 3.114 -9.232 4.496 1.00 0.00 N ATOM 122 NH2 ARG A 759 1.308 -9.089 3.160 1.00 0.00 N ATOM 0 HA ARG A 759 8.600 -10.207 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 759 7.165 -10.511 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 759 7.350 -8.802 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 759 5.087 -8.973 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 759 4.905 -10.547 0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 759 5.255 -9.421 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 759 5.217 -7.874 2.215 1.00 0.00 H new ATOM 0 HE ARG A 759 2.897 -8.780 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 759 4.125 -9.229 4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 759 2.490 -9.355 5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 759 0.885 -8.973 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 759 0.716 -9.215 3.981 1.00 0.00 H new ATOM 136 N GLU A 760 7.104 -11.609 -2.301 1.00 0.00 N ATOM 137 CA GLU A 760 6.811 -12.843 -3.039 1.00 0.00 C ATOM 138 C GLU A 760 7.908 -13.091 -4.088 1.00 0.00 C ATOM 139 O GLU A 760 8.584 -12.153 -4.520 1.00 0.00 O ATOM 140 CB GLU A 760 5.408 -12.790 -3.672 1.00 0.00 C ATOM 141 CG GLU A 760 5.212 -11.657 -4.691 1.00 0.00 C ATOM 142 CD GLU A 760 3.726 -11.319 -4.823 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.164 -10.667 -3.914 1.00 0.00 O ATOM 144 OE2 GLU A 760 3.092 -11.723 -5.823 1.00 0.00 O ATOM 0 H GLU A 760 7.347 -10.840 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 760 6.809 -13.683 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 760 5.209 -13.742 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 760 4.669 -12.680 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 760 5.767 -10.774 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 760 5.612 -11.956 -5.660 1.00 0.00 H new ATOM 151 N GLN A 761 8.121 -14.354 -4.476 1.00 0.00 N ATOM 152 CA GLN A 761 9.356 -14.780 -5.144 1.00 0.00 C ATOM 153 C GLN A 761 9.118 -15.817 -6.249 1.00 0.00 C ATOM 154 O GLN A 761 8.275 -16.706 -6.121 1.00 0.00 O ATOM 155 CB GLN A 761 10.348 -15.310 -4.094 1.00 0.00 C ATOM 156 CG GLN A 761 9.834 -16.562 -3.356 1.00 0.00 C ATOM 157 CD GLN A 761 10.767 -17.002 -2.231 1.00 0.00 C ATOM 158 OE1 GLN A 761 11.514 -17.971 -2.346 1.00 0.00 O ATOM 159 NE2 GLN A 761 10.784 -16.328 -1.102 1.00 0.00 N ATOM 0 H GLN A 761 7.446 -15.106 -4.337 1.00 0.00 H new ATOM 0 HA GLN A 761 9.777 -13.907 -5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 761 11.294 -15.546 -4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 761 10.552 -14.525 -3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 761 8.846 -16.357 -2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 761 9.719 -17.379 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 761 10.174 -15.520 -0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 761 11.408 -16.613 -0.347 1.00 0.00 H new ATOM 168 N SER A 762 9.870 -15.704 -7.347 1.00 0.00 N ATOM 169 CA SER A 762 9.772 -16.613 -8.490 1.00 0.00 C ATOM 170 C SER A 762 10.463 -17.969 -8.238 1.00 0.00 C ATOM 171 O SER A 762 11.499 -18.051 -7.566 1.00 0.00 O ATOM 172 CB SER A 762 10.304 -15.934 -9.767 1.00 0.00 C ATOM 173 OG SER A 762 11.612 -15.395 -9.595 1.00 0.00 O ATOM 0 H SER A 762 10.570 -14.972 -7.468 1.00 0.00 H new ATOM 0 HA SER A 762 8.715 -16.837 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 762 10.318 -16.659 -10.581 1.00 0.00 H new ATOM 0 HB3 SER A 762 9.622 -15.136 -10.062 1.00 0.00 H new ATOM 0 HG SER A 762 11.906 -14.977 -10.431 1.00 0.00 H new ATOM 179 N CYS A 763 9.888 -19.041 -8.793 1.00 0.00 N ATOM 180 CA CYS A 763 10.361 -20.431 -8.634 1.00 0.00 C ATOM 181 C CYS A 763 9.789 -21.359 -9.722 1.00 0.00 C ATOM 182 O CYS A 763 8.857 -20.982 -10.442 1.00 0.00 O ATOM 183 CB CYS A 763 9.997 -20.905 -7.208 1.00 0.00 C ATOM 184 SG CYS A 763 11.003 -22.340 -6.725 1.00 0.00 S ATOM 0 H CYS A 763 9.058 -18.970 -9.382 1.00 0.00 H new ATOM 0 HA CYS A 763 11.443 -20.468 -8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.153 -20.092 -6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.940 -21.166 -7.166 1.00 0.00 H new ATOM 0 HG CYS A 763 10.677 -22.714 -5.523 1.00 0.00 H new ATOM 190 N ARG A 764 10.327 -22.578 -9.848 1.00 0.00 N ATOM 191 CA ARG A 764 9.815 -23.614 -10.753 1.00 0.00 C ATOM 192 C ARG A 764 8.534 -24.255 -10.182 1.00 0.00 C ATOM 193 O ARG A 764 8.427 -24.482 -8.973 1.00 0.00 O ATOM 194 CB ARG A 764 10.918 -24.653 -11.027 1.00 0.00 C ATOM 195 CG ARG A 764 10.704 -25.384 -12.361 1.00 0.00 C ATOM 196 CD ARG A 764 11.752 -26.478 -12.627 1.00 0.00 C ATOM 197 NE ARG A 764 11.567 -27.641 -11.739 1.00 0.00 N ATOM 198 CZ ARG A 764 12.318 -28.009 -10.706 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.405 -27.356 -10.344 1.00 0.00 N ATOM 200 NH2 ARG A 764 11.969 -29.060 -9.996 1.00 0.00 N ATOM 0 H ARG A 764 11.144 -22.877 -9.315 1.00 0.00 H new ATOM 0 HA ARG A 764 9.539 -23.161 -11.705 1.00 0.00 H new ATOM 0 HB2 ARG A 764 11.888 -24.157 -11.038 1.00 0.00 H new ATOM 0 HB3 ARG A 764 10.941 -25.380 -10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.711 -25.832 -12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.731 -24.658 -13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.686 -26.800 -13.666 1.00 0.00 H new ATOM 0 HD3 ARG A 764 12.751 -26.067 -12.484 1.00 0.00 H new ATOM 0 HE ARG A 764 10.764 -28.236 -11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 764 13.701 -26.530 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 764 13.950 -27.677 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 764 11.129 -29.584 -10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 764 12.539 -29.351 -9.201 1.00 0.00 H new ATOM 214 N VAL A 765 7.567 -24.535 -11.051 1.00 0.00 N ATOM 215 CA VAL A 765 6.228 -25.083 -10.763 1.00 0.00 C ATOM 216 C VAL A 765 5.843 -26.123 -11.820 1.00 0.00 C ATOM 217 O VAL A 765 6.483 -26.206 -12.867 1.00 0.00 O ATOM 218 CB VAL A 765 5.155 -23.964 -10.693 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.313 -23.103 -9.429 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.173 -23.047 -11.922 1.00 0.00 C ATOM 0 H VAL A 765 7.700 -24.376 -12.050 1.00 0.00 H new ATOM 0 HA VAL A 765 6.269 -25.564 -9.786 1.00 0.00 H new ATOM 0 HB VAL A 765 4.197 -24.483 -10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 765 4.544 -22.331 -9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.210 -23.732 -8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.297 -22.635 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.402 -22.284 -11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 765 6.149 -22.568 -12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 765 4.981 -23.636 -12.819 1.00 0.00 H new ATOM 230 N VAL A 766 4.808 -26.924 -11.554 1.00 0.00 N ATOM 231 CA VAL A 766 4.361 -28.037 -12.409 1.00 0.00 C ATOM 232 C VAL A 766 2.843 -28.031 -12.598 1.00 0.00 C ATOM 233 O VAL A 766 2.098 -27.863 -11.633 1.00 0.00 O ATOM 234 CB VAL A 766 4.831 -29.397 -11.845 1.00 0.00 C ATOM 235 CG1 VAL A 766 4.304 -29.696 -10.441 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.487 -30.583 -12.756 1.00 0.00 C ATOM 0 H VAL A 766 4.239 -26.817 -10.715 1.00 0.00 H new ATOM 0 HA VAL A 766 4.819 -27.894 -13.388 1.00 0.00 H new ATOM 0 HB VAL A 766 5.914 -29.287 -11.795 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.675 -30.666 -10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.646 -28.924 -9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 766 3.214 -29.711 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.845 -31.507 -12.301 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.407 -30.639 -12.889 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.965 -30.447 -13.726 1.00 0.00 H new ATOM 246 N THR A 767 2.396 -28.270 -13.838 1.00 0.00 N ATOM 247 CA THR A 767 0.998 -28.532 -14.192 1.00 0.00 C ATOM 248 C THR A 767 0.844 -30.014 -14.510 1.00 0.00 C ATOM 249 O THR A 767 1.428 -30.482 -15.494 1.00 0.00 O ATOM 250 CB THR A 767 0.571 -27.692 -15.400 1.00 0.00 C ATOM 251 OG1 THR A 767 0.758 -26.322 -15.123 1.00 0.00 O ATOM 252 CG2 THR A 767 -0.901 -27.884 -15.780 1.00 0.00 C ATOM 0 H THR A 767 3.018 -28.286 -14.646 1.00 0.00 H new ATOM 0 HA THR A 767 0.360 -28.259 -13.352 1.00 0.00 H new ATOM 0 HB THR A 767 1.191 -28.028 -16.231 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.103 -26.031 -14.454 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.138 -27.261 -16.642 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.079 -28.930 -16.028 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.534 -27.597 -14.940 1.00 0.00 H new ATOM 260 N CYS A 768 0.041 -30.743 -13.729 1.00 0.00 N ATOM 261 CA CYS A 768 -0.399 -32.096 -14.083 1.00 0.00 C ATOM 262 C CYS A 768 -1.464 -31.997 -15.188 1.00 0.00 C ATOM 263 O CYS A 768 -2.488 -31.327 -15.029 1.00 0.00 O ATOM 264 CB CYS A 768 -0.932 -32.835 -12.843 1.00 0.00 C ATOM 265 SG CYS A 768 -1.370 -34.566 -13.279 1.00 0.00 S ATOM 0 H CYS A 768 -0.322 -30.412 -12.835 1.00 0.00 H new ATOM 0 HA CYS A 768 0.445 -32.675 -14.458 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.179 -32.830 -12.055 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.808 -32.318 -12.450 1.00 0.00 H new ATOM 0 HG CYS A 768 -1.549 -35.255 -12.191 1.00 0.00 H new ATOM 270 N LYS A 769 -1.227 -32.658 -16.313 1.00 0.00 N ATOM 271 CA LYS A 769 -2.120 -32.651 -17.478 1.00 0.00 C ATOM 272 C LYS A 769 -3.296 -33.635 -17.323 1.00 0.00 C ATOM 273 O LYS A 769 -4.323 -33.471 -17.994 1.00 0.00 O ATOM 274 CB LYS A 769 -1.300 -32.951 -18.750 1.00 0.00 C ATOM 275 CG LYS A 769 -0.037 -32.082 -18.940 1.00 0.00 C ATOM 276 CD LYS A 769 -0.306 -30.565 -18.969 1.00 0.00 C ATOM 277 CE LYS A 769 -1.121 -30.098 -20.182 1.00 0.00 C ATOM 278 NZ LYS A 769 -0.406 -30.323 -21.465 1.00 0.00 N ATOM 0 H LYS A 769 -0.392 -33.228 -16.450 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.566 -31.660 -17.561 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -1.001 -33.999 -18.731 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -1.946 -32.820 -19.618 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.663 -32.299 -18.133 1.00 0.00 H new ATOM 0 HG3 LYS A 769 0.451 -32.370 -19.871 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -0.835 -30.283 -18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 769 0.648 -30.037 -18.960 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -2.073 -30.628 -20.202 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -1.348 -29.037 -20.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -0.281 -29.415 -21.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 0.526 -30.744 -21.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -0.961 -30.968 -22.063 1.00 0.00 H new ATOM 292 N THR A 770 -3.164 -34.626 -16.432 1.00 0.00 N ATOM 293 CA THR A 770 -4.174 -35.660 -16.155 1.00 0.00 C ATOM 294 C THR A 770 -5.239 -35.157 -15.177 1.00 0.00 C ATOM 295 O THR A 770 -6.417 -35.439 -15.394 1.00 0.00 O ATOM 296 CB THR A 770 -3.478 -36.931 -15.647 1.00 0.00 C ATOM 297 OG1 THR A 770 -2.453 -37.303 -16.551 1.00 0.00 O ATOM 298 CG2 THR A 770 -4.433 -38.121 -15.509 1.00 0.00 C ATOM 0 H THR A 770 -2.324 -34.735 -15.864 1.00 0.00 H new ATOM 0 HA THR A 770 -4.699 -35.901 -17.079 1.00 0.00 H new ATOM 0 HB THR A 770 -3.082 -36.693 -14.660 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.008 -38.113 -16.226 1.00 0.00 H new ATOM 0 HG21 THR A 770 -3.883 -38.989 -15.146 1.00 0.00 H new ATOM 0 HG22 THR A 770 -5.225 -37.872 -14.802 1.00 0.00 H new ATOM 0 HG23 THR A 770 -4.872 -38.350 -16.480 1.00 0.00 H new ATOM 306 N CYS A 771 -4.855 -34.381 -14.153 1.00 0.00 N ATOM 307 CA CYS A 771 -5.773 -33.817 -13.149 1.00 0.00 C ATOM 308 C CYS A 771 -6.091 -32.321 -13.367 1.00 0.00 C ATOM 309 O CYS A 771 -7.047 -31.802 -12.783 1.00 0.00 O ATOM 310 CB CYS A 771 -5.150 -34.017 -11.755 1.00 0.00 C ATOM 311 SG CYS A 771 -4.770 -35.767 -11.378 1.00 0.00 S ATOM 0 H CYS A 771 -3.881 -34.122 -13.995 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.723 -34.343 -13.244 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.234 -33.430 -11.686 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.834 -33.630 -11.000 1.00 0.00 H new ATOM 0 HG CYS A 771 -3.658 -36.105 -11.960 1.00 0.00 H new ATOM 316 N LYS A 772 -5.284 -31.628 -14.183 1.00 0.00 N ATOM 317 CA LYS A 772 -5.428 -30.219 -14.602 1.00 0.00 C ATOM 318 C LYS A 772 -5.125 -29.194 -13.480 1.00 0.00 C ATOM 319 O LYS A 772 -5.540 -28.034 -13.561 1.00 0.00 O ATOM 320 CB LYS A 772 -6.771 -29.980 -15.342 1.00 0.00 C ATOM 321 CG LYS A 772 -6.923 -30.737 -16.679 1.00 0.00 C ATOM 322 CD LYS A 772 -7.457 -32.176 -16.558 1.00 0.00 C ATOM 323 CE LYS A 772 -7.621 -32.863 -17.925 1.00 0.00 C ATOM 324 NZ LYS A 772 -8.725 -32.282 -18.729 1.00 0.00 N ATOM 0 H LYS A 772 -4.459 -32.061 -14.597 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.641 -30.029 -15.332 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.589 -30.270 -14.682 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -6.879 -28.912 -15.532 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.593 -30.170 -17.325 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -5.952 -30.767 -17.174 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -6.776 -32.762 -15.941 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -8.419 -32.161 -16.045 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -6.688 -32.780 -18.483 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -7.808 -33.926 -17.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -8.814 -32.803 -19.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -9.616 -32.353 -18.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -8.520 -31.282 -18.929 1.00 0.00 H new ATOM 338 N TYR A 773 -4.394 -29.598 -12.427 1.00 0.00 N ATOM 339 CA TYR A 773 -3.909 -28.692 -11.368 1.00 0.00 C ATOM 340 C TYR A 773 -2.546 -28.069 -11.706 1.00 0.00 C ATOM 341 O TYR A 773 -1.801 -28.630 -12.515 1.00 0.00 O ATOM 342 CB TYR A 773 -3.848 -29.415 -10.004 1.00 0.00 C ATOM 343 CG TYR A 773 -2.791 -30.502 -9.828 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.426 -30.174 -9.675 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.185 -31.850 -9.709 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.467 -31.173 -9.424 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.241 -32.846 -9.404 1.00 0.00 C ATOM 348 CZ TYR A 773 -0.875 -32.513 -9.263 1.00 0.00 C ATOM 349 OH TYR A 773 0.044 -33.474 -8.975 1.00 0.00 O ATOM 0 H TYR A 773 -4.120 -30.570 -12.284 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.630 -27.877 -11.302 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -3.688 -28.663 -9.232 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -4.824 -29.862 -9.817 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.114 -29.143 -9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.221 -32.120 -9.853 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.579 -30.914 -9.355 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.561 -33.870 -9.277 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.390 -34.352 -8.975 1.00 0.00 H new ATOM 359 N THR A 774 -2.178 -26.972 -11.020 1.00 0.00 N ATOM 360 CA THR A 774 -0.809 -26.408 -10.999 1.00 0.00 C ATOM 361 C THR A 774 -0.348 -26.256 -9.552 1.00 0.00 C ATOM 362 O THR A 774 -0.993 -25.558 -8.771 1.00 0.00 O ATOM 363 CB THR A 774 -0.752 -25.068 -11.739 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.192 -25.262 -13.062 1.00 0.00 O ATOM 365 CG2 THR A 774 0.674 -24.503 -11.816 1.00 0.00 C ATOM 0 H THR A 774 -2.836 -26.439 -10.451 1.00 0.00 H new ATOM 0 HA THR A 774 -0.136 -27.091 -11.518 1.00 0.00 H new ATOM 0 HB THR A 774 -1.380 -24.368 -11.189 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.161 -24.410 -13.545 1.00 0.00 H new ATOM 0 HG21 THR A 774 0.661 -23.553 -12.350 1.00 0.00 H new ATOM 0 HG22 THR A 774 1.059 -24.348 -10.808 1.00 0.00 H new ATOM 0 HG23 THR A 774 1.316 -25.207 -12.345 1.00 0.00 H new ATOM 373 N HIS A 775 0.767 -26.895 -9.205 1.00 0.00 N ATOM 374 CA HIS A 775 1.397 -26.889 -7.879 1.00 0.00 C ATOM 375 C HIS A 775 2.933 -26.690 -7.992 1.00 0.00 C ATOM 376 O HIS A 775 3.493 -26.627 -9.087 1.00 0.00 O ATOM 377 CB HIS A 775 1.081 -28.225 -7.156 1.00 0.00 C ATOM 378 CG HIS A 775 -0.362 -28.507 -6.782 1.00 0.00 C ATOM 379 ND1 HIS A 775 -0.901 -29.756 -6.597 1.00 0.00 N ATOM 380 CD2 HIS A 775 -1.354 -27.607 -6.475 1.00 0.00 C ATOM 381 CE1 HIS A 775 -2.185 -29.622 -6.221 1.00 0.00 C ATOM 382 NE2 HIS A 775 -2.514 -28.318 -6.131 1.00 0.00 N ATOM 0 H HIS A 775 1.286 -27.463 -9.875 1.00 0.00 H new ATOM 0 HA HIS A 775 0.994 -26.056 -7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 775 1.426 -29.039 -7.793 1.00 0.00 H new ATOM 0 HB3 HIS A 775 1.676 -28.260 -6.243 1.00 0.00 H new ATOM 0 HD1 HIS A 775 -0.408 -30.640 -6.724 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -1.257 -26.532 -6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 775 -2.857 -30.443 -6.020 1.00 0.00 H new ATOM 390 N PHE A 776 3.630 -26.641 -6.849 1.00 0.00 N ATOM 391 CA PHE A 776 5.097 -26.560 -6.751 1.00 0.00 C ATOM 392 C PHE A 776 5.798 -27.838 -7.245 1.00 0.00 C ATOM 393 O PHE A 776 6.904 -27.775 -7.780 1.00 0.00 O ATOM 394 CB PHE A 776 5.481 -26.329 -5.274 1.00 0.00 C ATOM 395 CG PHE A 776 4.621 -25.321 -4.536 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.826 -23.944 -4.736 1.00 0.00 C ATOM 397 CD2 PHE A 776 3.596 -25.770 -3.682 1.00 0.00 C ATOM 398 CE1 PHE A 776 4.004 -23.013 -4.070 1.00 0.00 C ATOM 399 CE2 PHE A 776 2.767 -24.839 -3.030 1.00 0.00 C ATOM 400 CZ PHE A 776 2.969 -23.464 -3.235 1.00 0.00 C ATOM 0 H PHE A 776 3.175 -26.657 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 776 5.423 -25.738 -7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 776 5.429 -27.282 -4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.519 -25.998 -5.232 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.609 -23.602 -5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 776 3.446 -26.828 -3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 776 4.170 -21.954 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 776 1.979 -25.180 -2.375 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.324 -22.749 -2.747 1.00 0.00 H new ATOM 410 N LYS A 777 5.153 -28.997 -7.050 1.00 0.00 N ATOM 411 CA LYS A 777 5.667 -30.349 -7.337 1.00 0.00 C ATOM 412 C LYS A 777 4.515 -31.376 -7.490 1.00 0.00 C ATOM 413 O LYS A 777 3.425 -31.132 -6.951 1.00 0.00 O ATOM 414 CB LYS A 777 6.670 -30.751 -6.232 1.00 0.00 C ATOM 415 CG LYS A 777 6.039 -30.883 -4.835 1.00 0.00 C ATOM 416 CD LYS A 777 7.121 -31.181 -3.795 1.00 0.00 C ATOM 417 CE LYS A 777 6.559 -31.294 -2.369 1.00 0.00 C ATOM 418 NZ LYS A 777 5.741 -32.520 -2.172 1.00 0.00 N ATOM 0 H LYS A 777 4.208 -29.021 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 777 6.189 -30.343 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.132 -31.700 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.467 -30.009 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 777 5.517 -29.962 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 777 5.296 -31.681 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 777 7.625 -32.111 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 777 7.873 -30.393 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 777 7.384 -31.294 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 777 5.950 -30.417 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 5.386 -32.547 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 4.937 -32.511 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 6.327 -33.361 -2.352 1.00 0.00 H new ATOM 432 N PRO A 778 4.715 -32.504 -8.208 1.00 0.00 N ATOM 433 CA PRO A 778 3.663 -33.493 -8.417 1.00 0.00 C ATOM 434 C PRO A 778 3.460 -34.321 -7.143 1.00 0.00 C ATOM 435 O PRO A 778 4.394 -34.538 -6.370 1.00 0.00 O ATOM 436 CB PRO A 778 4.121 -34.348 -9.600 1.00 0.00 C ATOM 437 CG PRO A 778 5.638 -34.304 -9.486 1.00 0.00 C ATOM 438 CD PRO A 778 5.926 -32.910 -8.918 1.00 0.00 C ATOM 0 HA PRO A 778 2.698 -33.035 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.740 -35.367 -9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.776 -33.941 -10.550 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.012 -35.088 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.116 -34.447 -10.455 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.783 -32.933 -8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.165 -32.206 -9.715 1.00 0.00 H new ATOM 446 N LYS A 779 2.235 -34.804 -6.927 1.00 0.00 N ATOM 447 CA LYS A 779 1.894 -35.665 -5.784 1.00 0.00 C ATOM 448 C LYS A 779 2.492 -37.076 -5.915 1.00 0.00 C ATOM 449 O LYS A 779 2.781 -37.571 -7.009 1.00 0.00 O ATOM 450 CB LYS A 779 0.366 -35.761 -5.641 1.00 0.00 C ATOM 451 CG LYS A 779 -0.266 -34.412 -5.258 1.00 0.00 C ATOM 452 CD LYS A 779 -1.775 -34.522 -4.999 1.00 0.00 C ATOM 453 CE LYS A 779 -2.545 -34.971 -6.246 1.00 0.00 C ATOM 454 NZ LYS A 779 -4.000 -35.096 -5.985 1.00 0.00 N ATOM 0 H LYS A 779 1.444 -34.610 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 779 2.326 -35.208 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 779 -0.064 -36.109 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.119 -36.504 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.225 -34.025 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 779 -0.089 -33.692 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.952 -35.230 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -2.156 -33.556 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -2.381 -34.254 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -2.154 -35.929 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -4.484 -35.402 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -4.159 -35.798 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -4.379 -34.176 -5.683 1.00 0.00 H new ATOM 468 N GLU A 780 2.600 -37.765 -4.784 1.00 0.00 N ATOM 469 CA GLU A 780 3.070 -39.152 -4.715 1.00 0.00 C ATOM 470 C GLU A 780 2.195 -40.092 -5.557 1.00 0.00 C ATOM 471 O GLU A 780 2.711 -40.971 -6.249 1.00 0.00 O ATOM 472 CB GLU A 780 3.127 -39.655 -3.259 1.00 0.00 C ATOM 473 CG GLU A 780 4.002 -38.819 -2.308 1.00 0.00 C ATOM 474 CD GLU A 780 3.199 -37.743 -1.557 1.00 0.00 C ATOM 475 OE1 GLU A 780 2.781 -36.739 -2.187 1.00 0.00 O ATOM 476 OE2 GLU A 780 2.973 -37.898 -0.332 1.00 0.00 O ATOM 0 H GLU A 780 2.361 -37.373 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 780 4.079 -39.161 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 780 2.112 -39.683 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 780 3.498 -40.680 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 780 4.481 -39.480 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 780 4.798 -38.341 -2.879 1.00 0.00 H new ATOM 483 N THR A 781 0.876 -39.858 -5.573 1.00 0.00 N ATOM 484 CA THR A 781 -0.088 -40.549 -6.442 1.00 0.00 C ATOM 485 C THR A 781 0.151 -40.234 -7.911 1.00 0.00 C ATOM 486 O THR A 781 0.150 -41.159 -8.719 1.00 0.00 O ATOM 487 CB THR A 781 -1.524 -40.183 -6.045 1.00 0.00 C ATOM 488 OG1 THR A 781 -1.624 -38.794 -5.797 1.00 0.00 O ATOM 489 CG2 THR A 781 -1.936 -40.924 -4.773 1.00 0.00 C ATOM 0 H THR A 781 0.438 -39.165 -4.966 1.00 0.00 H new ATOM 0 HA THR A 781 0.056 -41.621 -6.306 1.00 0.00 H new ATOM 0 HB THR A 781 -2.179 -40.467 -6.868 1.00 0.00 H new ATOM 0 HG1 THR A 781 -2.545 -38.572 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 781 -2.957 -40.651 -4.508 1.00 0.00 H new ATOM 0 HG22 THR A 781 -1.880 -41.999 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 781 -1.264 -40.651 -3.959 1.00 0.00 H new ATOM 497 N CYS A 782 0.429 -38.978 -8.266 1.00 0.00 N ATOM 498 CA CYS A 782 0.697 -38.553 -9.642 1.00 0.00 C ATOM 499 C CYS A 782 2.006 -39.155 -10.188 1.00 0.00 C ATOM 500 O CYS A 782 2.049 -39.590 -11.339 1.00 0.00 O ATOM 501 CB CYS A 782 0.709 -37.016 -9.701 1.00 0.00 C ATOM 502 SG CYS A 782 -0.975 -36.395 -9.410 1.00 0.00 S ATOM 0 H CYS A 782 0.475 -38.213 -7.593 1.00 0.00 H new ATOM 0 HA CYS A 782 -0.098 -38.928 -10.286 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.392 -36.616 -8.951 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.071 -36.680 -10.673 1.00 0.00 H new ATOM 0 HG CYS A 782 -1.770 -36.846 -10.335 1.00 0.00 H new ATOM 507 N VAL A 783 3.042 -39.236 -9.354 1.00 0.00 N ATOM 508 CA VAL A 783 4.312 -39.903 -9.684 1.00 0.00 C ATOM 509 C VAL A 783 4.138 -41.431 -9.771 1.00 0.00 C ATOM 510 O VAL A 783 4.635 -42.050 -10.712 1.00 0.00 O ATOM 511 CB VAL A 783 5.420 -39.519 -8.675 1.00 0.00 C ATOM 512 CG1 VAL A 783 6.734 -40.282 -8.908 1.00 0.00 C ATOM 513 CG2 VAL A 783 5.740 -38.016 -8.751 1.00 0.00 C ATOM 0 H VAL A 783 3.028 -38.836 -8.416 1.00 0.00 H new ATOM 0 HA VAL A 783 4.624 -39.554 -10.668 1.00 0.00 H new ATOM 0 HB VAL A 783 5.022 -39.786 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 783 7.472 -39.969 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 783 6.555 -41.353 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.108 -40.065 -9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 783 6.522 -37.774 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.082 -37.767 -9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 783 4.843 -37.441 -8.520 1.00 0.00 H new ATOM 523 N SER A 784 3.418 -42.052 -8.829 1.00 0.00 N ATOM 524 CA SER A 784 3.234 -43.514 -8.778 1.00 0.00 C ATOM 525 C SER A 784 2.312 -44.051 -9.897 1.00 0.00 C ATOM 526 O SER A 784 2.640 -45.047 -10.551 1.00 0.00 O ATOM 527 CB SER A 784 2.689 -43.901 -7.396 1.00 0.00 C ATOM 528 OG SER A 784 2.618 -45.315 -7.226 1.00 0.00 O ATOM 0 H SER A 784 2.943 -41.555 -8.075 1.00 0.00 H new ATOM 0 HA SER A 784 4.207 -43.976 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 784 3.327 -43.475 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 784 1.697 -43.470 -7.264 1.00 0.00 H new ATOM 0 HG SER A 784 2.268 -45.520 -6.334 1.00 0.00 H new ATOM 534 N GLU A 785 1.197 -43.367 -10.185 1.00 0.00 N ATOM 535 CA GLU A 785 0.314 -43.662 -11.327 1.00 0.00 C ATOM 536 C GLU A 785 0.898 -43.184 -12.668 1.00 0.00 C ATOM 537 O GLU A 785 0.415 -43.570 -13.734 1.00 0.00 O ATOM 538 CB GLU A 785 -1.063 -43.010 -11.127 1.00 0.00 C ATOM 539 CG GLU A 785 -1.855 -43.565 -9.931 1.00 0.00 C ATOM 540 CD GLU A 785 -3.209 -42.852 -9.734 1.00 0.00 C ATOM 541 OE1 GLU A 785 -3.754 -42.256 -10.694 1.00 0.00 O ATOM 542 OE2 GLU A 785 -3.767 -42.917 -8.615 1.00 0.00 O ATOM 0 H GLU A 785 0.875 -42.579 -9.623 1.00 0.00 H new ATOM 0 HA GLU A 785 0.218 -44.747 -11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -0.928 -41.937 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -1.652 -43.146 -12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -2.028 -44.631 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -1.258 -43.461 -9.025 1.00 0.00 H new ATOM 549 N ASN A 786 1.925 -42.334 -12.629 1.00 0.00 N ATOM 550 CA ASN A 786 2.725 -41.897 -13.771 1.00 0.00 C ATOM 551 C ASN A 786 1.941 -40.961 -14.723 1.00 0.00 C ATOM 552 O ASN A 786 1.976 -41.118 -15.950 1.00 0.00 O ATOM 553 CB ASN A 786 3.375 -43.118 -14.455 1.00 0.00 C ATOM 554 CG ASN A 786 4.767 -42.779 -14.972 1.00 0.00 C ATOM 555 OD1 ASN A 786 5.008 -42.650 -16.168 1.00 0.00 O ATOM 556 ND2 ASN A 786 5.719 -42.631 -14.063 1.00 0.00 N ATOM 0 H ASN A 786 2.236 -41.911 -11.755 1.00 0.00 H new ATOM 0 HA ASN A 786 3.542 -41.270 -13.414 1.00 0.00 H new ATOM 0 HB2 ASN A 786 3.438 -43.945 -13.747 1.00 0.00 H new ATOM 0 HB3 ASN A 786 2.748 -43.453 -15.281 1.00 0.00 H new ATOM 0 HD21 ASN A 786 6.671 -42.406 -14.353 1.00 0.00 H new ATOM 0 HD22 ASN A 786 5.500 -42.742 -13.073 1.00 0.00 H new ATOM 563 N HIS A 787 1.202 -40.007 -14.139 1.00 0.00 N ATOM 564 CA HIS A 787 0.491 -38.939 -14.850 1.00 0.00 C ATOM 565 C HIS A 787 1.479 -38.107 -15.685 1.00 0.00 C ATOM 566 O HIS A 787 2.667 -38.021 -15.367 1.00 0.00 O ATOM 567 CB HIS A 787 -0.253 -38.035 -13.841 1.00 0.00 C ATOM 568 CG HIS A 787 -1.394 -38.669 -13.063 1.00 0.00 C ATOM 569 ND1 HIS A 787 -2.254 -38.016 -12.167 1.00 0.00 N ATOM 570 CD2 HIS A 787 -1.754 -39.995 -13.108 1.00 0.00 C ATOM 571 CE1 HIS A 787 -3.097 -38.963 -11.692 1.00 0.00 C ATOM 572 NE2 HIS A 787 -2.821 -40.150 -12.250 1.00 0.00 N ATOM 0 H HIS A 787 1.080 -39.957 -13.128 1.00 0.00 H new ATOM 0 HA HIS A 787 -0.239 -39.389 -15.523 1.00 0.00 H new ATOM 0 HB2 HIS A 787 0.475 -37.654 -13.125 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.648 -37.175 -14.382 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -1.289 -40.768 -13.702 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -3.879 -38.787 -10.968 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -3.318 -41.022 -12.070 1.00 0.00 H new ATOM 580 N ASP A 788 0.995 -37.476 -16.758 1.00 0.00 N ATOM 581 CA ASP A 788 1.775 -36.529 -17.566 1.00 0.00 C ATOM 582 C ASP A 788 1.804 -35.158 -16.877 1.00 0.00 C ATOM 583 O ASP A 788 0.773 -34.692 -16.391 1.00 0.00 O ATOM 584 CB ASP A 788 1.173 -36.417 -18.975 1.00 0.00 C ATOM 585 CG ASP A 788 1.382 -37.698 -19.795 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.540 -37.965 -20.210 1.00 0.00 O ATOM 587 OD2 ASP A 788 0.386 -38.418 -20.053 1.00 0.00 O ATOM 0 H ASP A 788 0.041 -37.608 -17.095 1.00 0.00 H new ATOM 0 HA ASP A 788 2.798 -36.893 -17.659 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.106 -36.207 -18.897 1.00 0.00 H new ATOM 0 HB3 ASP A 788 1.627 -35.575 -19.497 1.00 0.00 H new ATOM 592 N PHE A 789 2.964 -34.491 -16.867 1.00 0.00 N ATOM 593 CA PHE A 789 3.100 -33.124 -16.345 1.00 0.00 C ATOM 594 C PHE A 789 3.993 -32.238 -17.227 1.00 0.00 C ATOM 595 O PHE A 789 4.941 -32.708 -17.858 1.00 0.00 O ATOM 596 CB PHE A 789 3.580 -33.089 -14.878 1.00 0.00 C ATOM 597 CG PHE A 789 3.926 -34.379 -14.161 1.00 0.00 C ATOM 598 CD1 PHE A 789 2.924 -35.096 -13.484 1.00 0.00 C ATOM 599 CD2 PHE A 789 5.265 -34.814 -14.089 1.00 0.00 C ATOM 600 CE1 PHE A 789 3.260 -36.242 -12.745 1.00 0.00 C ATOM 601 CE2 PHE A 789 5.600 -35.957 -13.335 1.00 0.00 C ATOM 602 CZ PHE A 789 4.596 -36.675 -12.670 1.00 0.00 C ATOM 0 H PHE A 789 3.837 -34.883 -17.221 1.00 0.00 H new ATOM 0 HA PHE A 789 2.093 -32.707 -16.371 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.463 -32.451 -14.841 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.804 -32.593 -14.295 1.00 0.00 H new ATOM 0 HD1 PHE A 789 1.897 -34.766 -13.532 1.00 0.00 H new ATOM 0 HD2 PHE A 789 6.037 -34.270 -14.613 1.00 0.00 H new ATOM 0 HE1 PHE A 789 2.487 -36.794 -12.231 1.00 0.00 H new ATOM 0 HE2 PHE A 789 6.629 -36.279 -13.270 1.00 0.00 H new ATOM 0 HZ PHE A 789 4.848 -37.558 -12.102 1.00 0.00 H new ATOM 612 N HIS A 790 3.711 -30.934 -17.224 1.00 0.00 N ATOM 613 CA HIS A 790 4.557 -29.891 -17.810 1.00 0.00 C ATOM 614 C HIS A 790 5.132 -29.012 -16.682 1.00 0.00 C ATOM 615 O HIS A 790 4.379 -28.372 -15.943 1.00 0.00 O ATOM 616 CB HIS A 790 3.726 -29.034 -18.780 1.00 0.00 C ATOM 617 CG HIS A 790 3.444 -29.647 -20.128 1.00 0.00 C ATOM 618 ND1 HIS A 790 3.553 -28.997 -21.338 1.00 0.00 N ATOM 619 CD2 HIS A 790 2.966 -30.900 -20.400 1.00 0.00 C ATOM 620 CE1 HIS A 790 3.148 -29.834 -22.307 1.00 0.00 C ATOM 621 NE2 HIS A 790 2.772 -31.015 -21.784 1.00 0.00 N ATOM 0 H HIS A 790 2.861 -30.562 -16.800 1.00 0.00 H new ATOM 0 HA HIS A 790 5.378 -30.349 -18.362 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.774 -28.800 -18.303 1.00 0.00 H new ATOM 0 HB3 HIS A 790 4.246 -28.088 -18.935 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.771 -31.672 -19.670 1.00 0.00 H new ATOM 0 HE1 HIS A 790 3.127 -29.593 -23.359 1.00 0.00 H new ATOM 0 HE2 HIS A 790 2.419 -31.827 -22.290 1.00 0.00 H new ATOM 629 N TRP A 791 6.465 -28.930 -16.568 1.00 0.00 N ATOM 630 CA TRP A 791 7.155 -27.993 -15.672 1.00 0.00 C ATOM 631 C TRP A 791 7.396 -26.628 -16.347 1.00 0.00 C ATOM 632 O TRP A 791 7.633 -26.564 -17.554 1.00 0.00 O ATOM 633 CB TRP A 791 8.487 -28.611 -15.212 1.00 0.00 C ATOM 634 CG TRP A 791 8.376 -29.767 -14.266 1.00 0.00 C ATOM 635 CD1 TRP A 791 8.250 -31.066 -14.617 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.430 -29.757 -12.804 1.00 0.00 C ATOM 637 NE1 TRP A 791 8.229 -31.861 -13.490 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.377 -31.107 -12.345 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.538 -28.752 -11.819 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.460 -31.441 -10.983 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.613 -29.071 -10.449 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.582 -30.414 -10.030 1.00 0.00 C ATOM 0 H TRP A 791 7.102 -29.521 -17.103 1.00 0.00 H new ATOM 0 HA TRP A 791 6.517 -27.815 -14.806 1.00 0.00 H new ATOM 0 HB2 TRP A 791 9.038 -28.939 -16.094 1.00 0.00 H new ATOM 0 HB3 TRP A 791 9.082 -27.832 -14.736 1.00 0.00 H new ATOM 0 HD1 TRP A 791 8.176 -31.429 -15.632 1.00 0.00 H new ATOM 0 HE1 TRP A 791 8.118 -32.875 -13.502 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.564 -27.716 -12.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.430 -32.475 -10.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.695 -28.281 -9.717 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.652 -30.655 -8.980 1.00 0.00 H new ATOM 653 N HIS A 792 7.384 -25.550 -15.565 1.00 0.00 N ATOM 654 CA HIS A 792 7.630 -24.166 -16.002 1.00 0.00 C ATOM 655 C HIS A 792 7.970 -23.255 -14.802 1.00 0.00 C ATOM 656 O HIS A 792 7.978 -23.707 -13.652 1.00 0.00 O ATOM 657 CB HIS A 792 6.417 -23.643 -16.797 1.00 0.00 C ATOM 658 CG HIS A 792 5.167 -23.411 -15.977 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.674 -22.191 -15.564 1.00 0.00 N ATOM 660 CD2 HIS A 792 4.280 -24.360 -15.543 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.516 -22.400 -14.918 1.00 0.00 C ATOM 662 NE2 HIS A 792 3.233 -23.716 -14.873 1.00 0.00 N ATOM 0 H HIS A 792 7.195 -25.614 -14.565 1.00 0.00 H new ATOM 0 HA HIS A 792 8.497 -24.153 -16.662 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.695 -22.707 -17.281 1.00 0.00 H new ATOM 0 HB3 HIS A 792 6.187 -24.355 -17.589 1.00 0.00 H new ATOM 0 HD1 HIS A 792 5.114 -21.285 -15.722 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.373 -25.426 -15.692 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.898 -21.622 -14.494 1.00 0.00 H new ATOM 670 N ASN A 793 8.243 -21.969 -15.046 1.00 0.00 N ATOM 671 CA ASN A 793 8.464 -20.968 -13.991 1.00 0.00 C ATOM 672 C ASN A 793 7.165 -20.225 -13.625 1.00 0.00 C ATOM 673 O ASN A 793 6.316 -19.954 -14.484 1.00 0.00 O ATOM 674 CB ASN A 793 9.551 -19.975 -14.430 1.00 0.00 C ATOM 675 CG ASN A 793 10.908 -20.649 -14.580 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.363 -20.940 -15.681 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.583 -20.943 -13.484 1.00 0.00 N ATOM 0 H ASN A 793 8.318 -21.588 -15.989 1.00 0.00 H new ATOM 0 HA ASN A 793 8.798 -21.492 -13.096 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.265 -19.519 -15.378 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.624 -19.170 -13.699 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.486 -21.413 -13.552 1.00 0.00 H new ATOM 0 HD22 ASN A 793 11.202 -20.700 -12.570 1.00 0.00 H new ATOM 684 N GLY A 794 7.033 -19.869 -12.341 1.00 0.00 N ATOM 685 CA GLY A 794 5.934 -19.106 -11.745 1.00 0.00 C ATOM 686 C GLY A 794 6.403 -18.272 -10.549 1.00 0.00 C ATOM 687 O GLY A 794 7.581 -17.924 -10.453 1.00 0.00 O ATOM 0 H GLY A 794 7.737 -20.123 -11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.498 -18.449 -12.497 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.148 -19.790 -11.425 1.00 0.00 H new ATOM 691 N VAL A 795 5.488 -17.953 -9.631 1.00 0.00 N ATOM 692 CA VAL A 795 5.731 -17.121 -8.433 1.00 0.00 C ATOM 693 C VAL A 795 4.836 -17.566 -7.276 1.00 0.00 C ATOM 694 O VAL A 795 3.657 -17.845 -7.480 1.00 0.00 O ATOM 695 CB VAL A 795 5.580 -15.604 -8.738 1.00 0.00 C ATOM 696 CG1 VAL A 795 4.241 -15.258 -9.408 1.00 0.00 C ATOM 697 CG2 VAL A 795 5.746 -14.700 -7.499 1.00 0.00 C ATOM 0 H VAL A 795 4.522 -18.274 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 795 6.767 -17.270 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 795 6.398 -15.402 -9.429 1.00 0.00 H new ATOM 0 HG11 VAL A 795 4.195 -14.185 -9.596 1.00 0.00 H new ATOM 0 HG12 VAL A 795 4.157 -15.796 -10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 795 3.420 -15.547 -8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 795 5.627 -13.657 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 795 4.990 -14.957 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 795 6.738 -14.847 -7.072 1.00 0.00 H new ATOM 707 N LYS A 796 5.413 -17.644 -6.071 1.00 0.00 N ATOM 708 CA LYS A 796 4.747 -18.121 -4.851 1.00 0.00 C ATOM 709 C LYS A 796 4.589 -17.017 -3.787 1.00 0.00 C ATOM 710 O LYS A 796 5.481 -16.185 -3.584 1.00 0.00 O ATOM 711 CB LYS A 796 5.489 -19.358 -4.323 1.00 0.00 C ATOM 712 CG LYS A 796 6.896 -19.075 -3.769 1.00 0.00 C ATOM 713 CD LYS A 796 7.935 -20.097 -4.246 1.00 0.00 C ATOM 714 CE LYS A 796 7.662 -21.540 -3.793 1.00 0.00 C ATOM 715 NZ LYS A 796 7.941 -21.745 -2.349 1.00 0.00 N ATOM 0 H LYS A 796 6.383 -17.370 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 796 3.726 -18.409 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.889 -19.817 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.570 -20.088 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.208 -18.076 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.861 -19.080 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 796 7.977 -20.073 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.917 -19.795 -3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.621 -21.791 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 796 8.276 -22.224 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.741 -22.733 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.940 -21.532 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 7.337 -21.113 -1.786 1.00 0.00 H new ATOM 729 N ARG A 797 3.438 -17.030 -3.111 1.00 0.00 N ATOM 730 CA ARG A 797 3.050 -16.134 -2.016 1.00 0.00 C ATOM 731 C ARG A 797 2.590 -16.948 -0.796 1.00 0.00 C ATOM 732 O ARG A 797 2.169 -18.103 -0.928 1.00 0.00 O ATOM 733 CB ARG A 797 1.967 -15.107 -2.436 1.00 0.00 C ATOM 734 CG ARG A 797 1.169 -15.359 -3.729 1.00 0.00 C ATOM 735 CD ARG A 797 1.899 -14.840 -4.983 1.00 0.00 C ATOM 736 NE ARG A 797 1.218 -15.259 -6.221 1.00 0.00 N ATOM 737 CZ ARG A 797 1.062 -14.545 -7.332 1.00 0.00 C ATOM 738 NH1 ARG A 797 1.504 -13.310 -7.463 1.00 0.00 N ATOM 739 NH2 ARG A 797 0.439 -15.071 -8.361 1.00 0.00 N ATOM 0 H ARG A 797 2.706 -17.707 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 797 3.935 -15.557 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 797 1.252 -15.027 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 797 2.452 -14.136 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 797 0.985 -16.428 -3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.196 -14.874 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.954 -13.752 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 797 2.924 -15.211 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 797 0.823 -16.199 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 797 1.992 -12.858 -6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 797 1.358 -12.806 -8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 797 0.077 -16.023 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 797 0.317 -14.528 -9.215 1.00 0.00 H new ATOM 753 N PHE A 798 2.698 -16.350 0.389 1.00 0.00 N ATOM 754 CA PHE A 798 2.633 -17.027 1.691 1.00 0.00 C ATOM 755 C PHE A 798 1.417 -16.565 2.501 1.00 0.00 C ATOM 756 O PHE A 798 1.007 -15.405 2.407 1.00 0.00 O ATOM 757 CB PHE A 798 3.956 -16.747 2.428 1.00 0.00 C ATOM 758 CG PHE A 798 5.181 -16.963 1.558 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.634 -18.266 1.279 1.00 0.00 C ATOM 760 CD2 PHE A 798 5.823 -15.859 0.961 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.702 -18.464 0.386 1.00 0.00 C ATOM 762 CE2 PHE A 798 6.874 -16.061 0.057 1.00 0.00 C ATOM 763 CZ PHE A 798 7.319 -17.359 -0.228 1.00 0.00 C ATOM 0 H PHE A 798 2.838 -15.343 0.476 1.00 0.00 H new ATOM 0 HA PHE A 798 2.508 -18.101 1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.952 -15.719 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 798 4.021 -17.393 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 798 5.161 -19.114 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.504 -14.856 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.048 -19.464 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 798 7.343 -15.214 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.135 -17.511 -0.919 1.00 0.00 H new ATOM 773 N PHE A 799 0.836 -17.463 3.301 1.00 0.00 N ATOM 774 CA PHE A 799 -0.409 -17.205 4.027 1.00 0.00 C ATOM 775 C PHE A 799 -0.417 -17.806 5.439 1.00 0.00 C ATOM 776 O PHE A 799 0.179 -18.854 5.686 1.00 0.00 O ATOM 777 CB PHE A 799 -1.614 -17.712 3.221 1.00 0.00 C ATOM 778 CG PHE A 799 -1.709 -17.150 1.815 1.00 0.00 C ATOM 779 CD1 PHE A 799 -0.972 -17.735 0.764 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.505 -16.020 1.560 1.00 0.00 C ATOM 781 CE1 PHE A 799 -0.991 -17.160 -0.517 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.541 -15.461 0.272 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.765 -16.014 -0.761 1.00 0.00 C ATOM 0 H PHE A 799 1.219 -18.394 3.464 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.482 -16.124 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.565 -18.799 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.528 -17.463 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.392 -18.628 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -3.089 -15.581 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.410 -17.599 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.167 -14.603 0.075 1.00 0.00 H new ATOM 0 HZ PHE A 799 -1.764 -15.559 -1.740 1.00 0.00 H new ATOM 793 N LYS A 800 -1.140 -17.148 6.347 1.00 0.00 N ATOM 794 CA LYS A 800 -1.291 -17.519 7.759 1.00 0.00 C ATOM 795 C LYS A 800 -2.768 -17.509 8.204 1.00 0.00 C ATOM 796 O LYS A 800 -3.538 -16.624 7.834 1.00 0.00 O ATOM 797 CB LYS A 800 -0.420 -16.550 8.589 1.00 0.00 C ATOM 798 CG LYS A 800 -0.415 -16.865 10.092 1.00 0.00 C ATOM 799 CD LYS A 800 0.528 -15.927 10.860 1.00 0.00 C ATOM 800 CE LYS A 800 0.475 -16.247 12.357 1.00 0.00 C ATOM 801 NZ LYS A 800 1.321 -15.315 13.145 1.00 0.00 N ATOM 0 H LYS A 800 -1.661 -16.304 6.109 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.955 -18.544 7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.603 -16.583 8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.780 -15.532 8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.426 -16.770 10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.107 -17.899 10.247 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.547 -16.040 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.241 -14.889 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.556 -16.187 12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.809 -17.271 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.261 -15.561 14.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.309 -15.390 12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 0.986 -14.340 13.006 1.00 0.00 H new ATOM 815 N CYS A 801 -3.166 -18.502 8.998 1.00 0.00 N ATOM 816 CA CYS A 801 -4.468 -18.641 9.660 1.00 0.00 C ATOM 817 C CYS A 801 -4.405 -18.099 11.109 1.00 0.00 C ATOM 818 O CYS A 801 -3.341 -18.214 11.733 1.00 0.00 O ATOM 819 CB CYS A 801 -4.788 -20.145 9.647 1.00 0.00 C ATOM 820 SG CYS A 801 -6.442 -20.504 10.312 1.00 0.00 S ATOM 0 H CYS A 801 -2.548 -19.285 9.212 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.241 -18.068 9.148 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.720 -20.520 8.626 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -4.040 -20.679 10.233 1.00 0.00 H new ATOM 0 HG CYS A 801 -7.339 -19.894 9.596 1.00 0.00 H new ATOM 825 N PRO A 802 -5.493 -17.543 11.684 1.00 0.00 N ATOM 826 CA PRO A 802 -5.498 -17.011 13.050 1.00 0.00 C ATOM 827 C PRO A 802 -5.148 -18.017 14.169 1.00 0.00 C ATOM 828 O PRO A 802 -4.760 -17.571 15.249 1.00 0.00 O ATOM 829 CB PRO A 802 -6.885 -16.384 13.256 1.00 0.00 C ATOM 830 CG PRO A 802 -7.752 -16.995 12.163 1.00 0.00 C ATOM 831 CD PRO A 802 -6.749 -17.188 11.028 1.00 0.00 C ATOM 0 HA PRO A 802 -4.691 -16.284 13.138 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.279 -16.611 14.247 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.846 -15.298 13.169 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.199 -17.938 12.477 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.570 -16.335 11.876 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.073 -17.974 10.346 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.642 -16.278 10.438 1.00 0.00 H new ATOM 839 N CYS A 803 -5.228 -19.339 13.945 1.00 0.00 N ATOM 840 CA CYS A 803 -4.761 -20.351 14.912 1.00 0.00 C ATOM 841 C CYS A 803 -3.221 -20.528 14.944 1.00 0.00 C ATOM 842 O CYS A 803 -2.682 -21.173 15.851 1.00 0.00 O ATOM 843 CB CYS A 803 -5.499 -21.681 14.663 1.00 0.00 C ATOM 844 SG CYS A 803 -4.921 -22.528 13.156 1.00 0.00 S ATOM 0 H CYS A 803 -5.617 -19.738 13.091 1.00 0.00 H new ATOM 0 HA CYS A 803 -5.009 -19.986 15.909 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.358 -22.337 15.522 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.569 -21.489 14.581 1.00 0.00 H new ATOM 0 HG CYS A 803 -5.387 -21.916 12.108 1.00 0.00 H new ATOM 849 N GLY A 804 -2.508 -19.936 13.978 1.00 0.00 N ATOM 850 CA GLY A 804 -1.049 -20.003 13.794 1.00 0.00 C ATOM 851 C GLY A 804 -0.583 -20.943 12.674 1.00 0.00 C ATOM 852 O GLY A 804 0.602 -20.921 12.336 1.00 0.00 O ATOM 0 H GLY A 804 -2.957 -19.365 13.262 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.677 -19.000 13.585 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.593 -20.323 14.731 1.00 0.00 H new ATOM 856 N ASN A 805 -1.474 -21.751 12.085 1.00 0.00 N ATOM 857 CA ASN A 805 -1.166 -22.615 10.936 1.00 0.00 C ATOM 858 C ASN A 805 -0.905 -21.795 9.653 1.00 0.00 C ATOM 859 O ASN A 805 -1.449 -20.696 9.502 1.00 0.00 O ATOM 860 CB ASN A 805 -2.323 -23.615 10.737 1.00 0.00 C ATOM 861 CG ASN A 805 -2.012 -24.679 9.681 1.00 0.00 C ATOM 862 OD1 ASN A 805 -0.876 -25.114 9.521 1.00 0.00 O ATOM 863 ND2 ASN A 805 -2.998 -25.092 8.905 1.00 0.00 N ATOM 0 H ASN A 805 -2.442 -21.825 12.397 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.246 -23.162 11.143 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.541 -24.104 11.686 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.221 -23.071 10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.816 -25.775 8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.941 -24.728 9.041 1.00 0.00 H new ATOM 870 N ARG A 806 -0.078 -22.302 8.728 1.00 0.00 N ATOM 871 CA ARG A 806 0.399 -21.572 7.540 1.00 0.00 C ATOM 872 C ARG A 806 0.343 -22.420 6.256 1.00 0.00 C ATOM 873 O ARG A 806 0.318 -23.654 6.322 1.00 0.00 O ATOM 874 CB ARG A 806 1.822 -21.044 7.800 1.00 0.00 C ATOM 875 CG ARG A 806 1.833 -20.113 9.022 1.00 0.00 C ATOM 876 CD ARG A 806 3.174 -19.426 9.277 1.00 0.00 C ATOM 877 NE ARG A 806 4.278 -20.371 9.538 1.00 0.00 N ATOM 878 CZ ARG A 806 4.488 -21.088 10.637 1.00 0.00 C ATOM 879 NH1 ARG A 806 3.653 -21.092 11.661 1.00 0.00 N ATOM 880 NH2 ARG A 806 5.569 -21.834 10.728 1.00 0.00 N ATOM 0 H ARG A 806 0.287 -23.253 8.784 1.00 0.00 H new ATOM 0 HA ARG A 806 -0.275 -20.732 7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.502 -21.880 7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.184 -20.507 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 806 1.066 -19.350 8.889 1.00 0.00 H new ATOM 0 HG3 ARG A 806 1.559 -20.689 9.906 1.00 0.00 H new ATOM 0 HD2 ARG A 806 3.429 -18.811 8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 806 3.073 -18.753 10.129 1.00 0.00 H new ATOM 0 HE ARG A 806 4.959 -20.487 8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 806 2.804 -20.528 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 806 3.858 -21.659 12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 806 6.238 -21.859 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.738 -22.387 11.568 1.00 0.00 H new ATOM 894 N THR A 807 0.343 -21.751 5.094 1.00 0.00 N ATOM 895 CA THR A 807 0.328 -22.363 3.752 1.00 0.00 C ATOM 896 C THR A 807 0.936 -21.430 2.701 1.00 0.00 C ATOM 897 O THR A 807 1.363 -20.318 3.013 1.00 0.00 O ATOM 898 CB THR A 807 -1.090 -22.859 3.404 1.00 0.00 C ATOM 899 OG1 THR A 807 -0.995 -23.808 2.369 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.048 -21.751 2.966 1.00 0.00 C ATOM 0 H THR A 807 0.354 -20.732 5.059 1.00 0.00 H new ATOM 0 HA THR A 807 0.970 -23.244 3.755 1.00 0.00 H new ATOM 0 HB THR A 807 -1.504 -23.286 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 807 -1.810 -23.782 1.825 1.00 0.00 H new ATOM 0 HG21 THR A 807 -3.023 -22.182 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.152 -21.021 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.653 -21.259 2.077 1.00 0.00 H new ATOM 908 N ILE A 808 0.999 -21.893 1.458 1.00 0.00 N ATOM 909 CA ILE A 808 1.648 -21.236 0.305 1.00 0.00 C ATOM 910 C ILE A 808 0.768 -21.436 -0.939 1.00 0.00 C ATOM 911 O ILE A 808 0.138 -22.484 -1.095 1.00 0.00 O ATOM 912 CB ILE A 808 3.081 -21.801 0.071 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.883 -21.960 1.390 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.864 -20.921 -0.926 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.337 -22.438 1.233 1.00 0.00 C ATOM 0 H ILE A 808 0.578 -22.786 1.202 1.00 0.00 H new ATOM 0 HA ILE A 808 1.753 -20.170 0.509 1.00 0.00 H new ATOM 0 HB ILE A 808 2.956 -22.797 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.889 -21.001 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.355 -22.665 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.861 -21.336 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.338 -20.896 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.947 -19.909 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.803 -22.514 2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.349 -23.415 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.891 -21.724 0.623 1.00 0.00 H new ATOM 927 N SER A 809 0.740 -20.473 -1.859 1.00 0.00 N ATOM 928 CA SER A 809 0.009 -20.584 -3.131 1.00 0.00 C ATOM 929 C SER A 809 0.696 -19.839 -4.276 1.00 0.00 C ATOM 930 O SER A 809 1.535 -18.957 -4.080 1.00 0.00 O ATOM 931 CB SER A 809 -1.431 -20.080 -2.951 1.00 0.00 C ATOM 932 OG SER A 809 -2.219 -20.319 -4.109 1.00 0.00 O ATOM 0 H SER A 809 1.227 -19.584 -1.746 1.00 0.00 H new ATOM 0 HA SER A 809 -0.001 -21.639 -3.407 1.00 0.00 H new ATOM 0 HB2 SER A 809 -1.885 -20.575 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.418 -19.012 -2.733 1.00 0.00 H new ATOM 0 HG SER A 809 -3.001 -19.729 -4.100 1.00 0.00 H new ATOM 938 N LEU A 810 0.317 -20.229 -5.490 1.00 0.00 N ATOM 939 CA LEU A 810 0.736 -19.658 -6.762 1.00 0.00 C ATOM 940 C LEU A 810 -0.239 -18.570 -7.248 1.00 0.00 C ATOM 941 O LEU A 810 0.059 -17.856 -8.198 1.00 0.00 O ATOM 942 CB LEU A 810 0.876 -20.802 -7.783 1.00 0.00 C ATOM 943 CG LEU A 810 1.886 -21.933 -7.456 1.00 0.00 C ATOM 944 CD1 LEU A 810 3.252 -21.362 -7.049 1.00 0.00 C ATOM 945 CD2 LEU A 810 1.396 -22.971 -6.437 1.00 0.00 C ATOM 0 H LEU A 810 -0.334 -21.004 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 810 1.698 -19.161 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 810 -0.106 -21.256 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.158 -20.365 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 810 1.991 -22.485 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 810 3.937 -22.180 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 810 3.655 -20.764 -7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 810 3.136 -20.736 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 810 2.173 -23.718 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 810 1.169 -22.475 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 810 0.498 -23.458 -6.817 1.00 0.00 H new ATOM 957 N ASP A 811 -1.382 -18.410 -6.576 1.00 0.00 N ATOM 958 CA ASP A 811 -2.385 -17.363 -6.785 1.00 0.00 C ATOM 959 C ASP A 811 -2.420 -16.377 -5.597 1.00 0.00 C ATOM 960 O ASP A 811 -1.767 -16.584 -4.573 1.00 0.00 O ATOM 961 CB ASP A 811 -3.759 -18.026 -6.996 1.00 0.00 C ATOM 962 CG ASP A 811 -3.830 -18.780 -8.334 1.00 0.00 C ATOM 963 OD1 ASP A 811 -3.844 -18.107 -9.396 1.00 0.00 O ATOM 964 OD2 ASP A 811 -3.902 -20.033 -8.329 1.00 0.00 O ATOM 0 H ASP A 811 -1.648 -19.047 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.122 -16.784 -7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -3.958 -18.718 -6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.538 -17.265 -6.966 1.00 0.00 H new ATOM 969 N ARG A 812 -3.218 -15.309 -5.726 1.00 0.00 N ATOM 970 CA ARG A 812 -3.417 -14.272 -4.699 1.00 0.00 C ATOM 971 C ARG A 812 -4.033 -14.772 -3.373 1.00 0.00 C ATOM 972 O ARG A 812 -4.053 -14.027 -2.394 1.00 0.00 O ATOM 973 CB ARG A 812 -4.241 -13.123 -5.285 1.00 0.00 C ATOM 974 CG ARG A 812 -5.654 -13.533 -5.735 1.00 0.00 C ATOM 975 CD ARG A 812 -6.414 -12.295 -6.217 1.00 0.00 C ATOM 976 NE ARG A 812 -6.862 -11.445 -5.096 1.00 0.00 N ATOM 977 CZ ARG A 812 -7.480 -10.276 -5.197 1.00 0.00 C ATOM 978 NH1 ARG A 812 -7.766 -9.732 -6.363 1.00 0.00 N ATOM 979 NH2 ARG A 812 -7.826 -9.625 -4.108 1.00 0.00 N ATOM 0 H ARG A 812 -3.760 -15.135 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.420 -13.928 -4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.323 -12.332 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -3.706 -12.704 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.593 -14.270 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.188 -14.003 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -5.774 -11.712 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -7.279 -12.607 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 812 -6.679 -11.790 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -7.511 -10.212 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -8.242 -8.831 -6.402 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -7.619 -10.020 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -8.301 -8.726 -4.181 1.00 0.00 H new ATOM 993 N LEU A 813 -4.521 -16.021 -3.333 1.00 0.00 N ATOM 994 CA LEU A 813 -5.132 -16.701 -2.184 1.00 0.00 C ATOM 995 C LEU A 813 -5.014 -18.234 -2.379 1.00 0.00 C ATOM 996 O LEU A 813 -5.130 -18.683 -3.529 1.00 0.00 O ATOM 997 CB LEU A 813 -6.606 -16.243 -2.075 1.00 0.00 C ATOM 998 CG LEU A 813 -7.314 -16.553 -0.739 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.789 -15.662 0.402 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.827 -16.335 -0.886 1.00 0.00 C ATOM 0 H LEU A 813 -4.497 -16.621 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.622 -16.446 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.645 -15.167 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.172 -16.711 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.104 -17.593 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.311 -15.909 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.720 -15.830 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.964 -14.615 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.320 -16.556 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -9.020 -15.299 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.216 -16.996 -1.660 1.00 0.00 H new ATOM 1012 N PRO A 814 -4.800 -19.048 -1.319 1.00 0.00 N ATOM 1013 CA PRO A 814 -4.822 -20.505 -1.418 1.00 0.00 C ATOM 1014 C PRO A 814 -6.241 -21.014 -1.679 1.00 0.00 C ATOM 1015 O PRO A 814 -7.229 -20.389 -1.305 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.254 -21.023 -0.090 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.613 -19.909 0.886 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.461 -18.658 0.038 1.00 0.00 C ATOM 0 HA PRO A 814 -4.226 -20.865 -2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -4.702 -21.974 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.177 -21.182 -0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.628 -20.018 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -3.947 -19.897 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.120 -17.865 0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.443 -18.273 0.090 1.00 0.00 H new ATOM 1026 N LYS A 815 -6.334 -22.175 -2.330 1.00 0.00 N ATOM 1027 CA LYS A 815 -7.605 -22.815 -2.719 1.00 0.00 C ATOM 1028 C LYS A 815 -8.140 -23.839 -1.696 1.00 0.00 C ATOM 1029 O LYS A 815 -9.207 -24.428 -1.899 1.00 0.00 O ATOM 1030 CB LYS A 815 -7.436 -23.401 -4.141 1.00 0.00 C ATOM 1031 CG LYS A 815 -6.320 -24.450 -4.347 1.00 0.00 C ATOM 1032 CD LYS A 815 -6.696 -25.885 -3.938 1.00 0.00 C ATOM 1033 CE LYS A 815 -5.514 -26.856 -4.113 1.00 0.00 C ATOM 1034 NZ LYS A 815 -5.114 -27.014 -5.534 1.00 0.00 N ATOM 0 H LYS A 815 -5.514 -22.713 -2.610 1.00 0.00 H new ATOM 0 HA LYS A 815 -8.385 -22.054 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -8.383 -23.854 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -7.253 -22.574 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -6.032 -24.451 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -5.443 -24.143 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -7.023 -25.893 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -7.539 -26.226 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -4.662 -26.494 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -5.784 -27.830 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -4.244 -27.581 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -5.874 -27.494 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -4.944 -26.077 -5.953 1.00 0.00 H new ATOM 1048 N LYS A 816 -7.385 -24.083 -0.619 1.00 0.00 N ATOM 1049 CA LYS A 816 -7.627 -25.134 0.382 1.00 0.00 C ATOM 1050 C LYS A 816 -7.947 -24.570 1.783 1.00 0.00 C ATOM 1051 O LYS A 816 -7.556 -23.458 2.129 1.00 0.00 O ATOM 1052 CB LYS A 816 -6.437 -26.123 0.366 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.020 -25.543 0.582 1.00 0.00 C ATOM 1054 CD LYS A 816 -4.601 -25.393 2.049 1.00 0.00 C ATOM 1055 CE LYS A 816 -4.320 -26.761 2.694 1.00 0.00 C ATOM 1056 NZ LYS A 816 -4.134 -26.637 4.161 1.00 0.00 N ATOM 0 H LYS A 816 -6.553 -23.531 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 816 -8.530 -25.682 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -6.614 -26.873 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -6.445 -26.642 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.299 -26.186 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -4.966 -24.566 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.710 -24.769 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.388 -24.882 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -5.147 -27.440 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.427 -27.199 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -3.846 -27.556 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.397 -25.930 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -5.028 -26.338 4.600 1.00 0.00 H new ATOM 1070 N HIS A 817 -8.649 -25.343 2.612 1.00 0.00 N ATOM 1071 CA HIS A 817 -8.975 -25.006 4.005 1.00 0.00 C ATOM 1072 C HIS A 817 -7.783 -25.274 4.961 1.00 0.00 C ATOM 1073 O HIS A 817 -6.836 -25.982 4.604 1.00 0.00 O ATOM 1074 CB HIS A 817 -10.213 -25.802 4.441 1.00 0.00 C ATOM 1075 CG HIS A 817 -11.422 -25.663 3.546 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -12.347 -26.649 3.272 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -11.830 -24.546 2.862 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.280 -26.137 2.449 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -13.009 -24.855 2.172 1.00 0.00 N ATOM 0 H HIS A 817 -9.020 -26.250 2.327 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.188 -23.938 4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -9.944 -26.857 4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -10.489 -25.488 5.448 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -11.327 -23.590 2.857 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -14.129 -26.683 2.065 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -13.552 -24.229 1.578 1.00 0.00 H new ATOM 1087 N CYS A 818 -7.834 -24.745 6.186 1.00 0.00 N ATOM 1088 CA CYS A 818 -6.833 -25.010 7.218 1.00 0.00 C ATOM 1089 C CYS A 818 -6.752 -26.503 7.599 1.00 0.00 C ATOM 1090 O CYS A 818 -7.765 -27.163 7.854 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.163 -24.116 8.406 1.00 0.00 C ATOM 1092 SG CYS A 818 -5.979 -24.377 9.757 1.00 0.00 S ATOM 0 H CYS A 818 -8.577 -24.116 6.490 1.00 0.00 H new ATOM 0 HA CYS A 818 -5.837 -24.776 6.841 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.144 -23.071 8.097 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.173 -24.327 8.756 1.00 0.00 H new ATOM 0 HG CYS A 818 -5.748 -23.247 10.356 1.00 0.00 H new ATOM 1097 N SER A 819 -5.534 -27.032 7.674 1.00 0.00 N ATOM 1098 CA SER A 819 -5.248 -28.411 8.093 1.00 0.00 C ATOM 1099 C SER A 819 -5.436 -28.640 9.604 1.00 0.00 C ATOM 1100 O SER A 819 -5.500 -29.792 10.049 1.00 0.00 O ATOM 1101 CB SER A 819 -3.801 -28.779 7.723 1.00 0.00 C ATOM 1102 OG SER A 819 -3.501 -28.478 6.362 1.00 0.00 O ATOM 0 H SER A 819 -4.693 -26.504 7.440 1.00 0.00 H new ATOM 0 HA SER A 819 -5.965 -29.044 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.113 -28.239 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 819 -3.641 -29.842 7.902 1.00 0.00 H new ATOM 0 HG SER A 819 -3.986 -29.095 5.776 1.00 0.00 H new ATOM 1108 N THR A 820 -5.493 -27.554 10.397 1.00 0.00 N ATOM 1109 CA THR A 820 -5.440 -27.575 11.868 1.00 0.00 C ATOM 1110 C THR A 820 -6.796 -27.260 12.503 1.00 0.00 C ATOM 1111 O THR A 820 -7.089 -27.820 13.562 1.00 0.00 O ATOM 1112 CB THR A 820 -4.342 -26.601 12.328 1.00 0.00 C ATOM 1113 OG1 THR A 820 -3.109 -27.063 11.804 1.00 0.00 O ATOM 1114 CG2 THR A 820 -4.180 -26.492 13.848 1.00 0.00 C ATOM 0 H THR A 820 -5.580 -26.611 10.019 1.00 0.00 H new ATOM 0 HA THR A 820 -5.194 -28.582 12.205 1.00 0.00 H new ATOM 0 HB THR A 820 -4.633 -25.614 11.969 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.389 -26.459 12.081 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.384 -25.784 14.079 1.00 0.00 H new ATOM 0 HG22 THR A 820 -5.114 -26.145 14.290 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.926 -27.470 14.258 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.643 -26.435 11.867 1.00 0.00 N ATOM 1123 CA CYS A 821 -8.987 -26.087 12.375 1.00 0.00 C ATOM 1124 C CYS A 821 -10.125 -26.027 11.323 1.00 0.00 C ATOM 1125 O CYS A 821 -11.306 -26.032 11.697 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.887 -24.788 13.186 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.658 -23.308 12.147 1.00 0.00 S ATOM 0 H CYS A 821 -7.416 -25.986 10.980 1.00 0.00 H new ATOM 0 HA CYS A 821 -9.295 -26.920 13.007 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.792 -24.669 13.782 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -8.053 -24.866 13.884 1.00 0.00 H new ATOM 0 HG CYS A 821 -7.769 -23.554 11.231 1.00 0.00 H new ATOM 1132 N GLY A 822 -9.801 -26.021 10.028 1.00 0.00 N ATOM 1133 CA GLY A 822 -10.773 -26.115 8.919 1.00 0.00 C ATOM 1134 C GLY A 822 -11.320 -24.783 8.390 1.00 0.00 C ATOM 1135 O GLY A 822 -12.199 -24.804 7.525 1.00 0.00 O ATOM 0 H GLY A 822 -8.836 -25.949 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.301 -26.645 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.614 -26.725 9.250 1.00 0.00 H new ATOM 1139 N LEU A 823 -10.824 -23.638 8.875 1.00 0.00 N ATOM 1140 CA LEU A 823 -11.200 -22.298 8.393 1.00 0.00 C ATOM 1141 C LEU A 823 -10.763 -22.016 6.945 1.00 0.00 C ATOM 1142 O LEU A 823 -9.922 -22.714 6.368 1.00 0.00 O ATOM 1143 CB LEU A 823 -10.604 -21.219 9.331 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.216 -21.171 10.743 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.458 -20.111 11.555 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.711 -20.816 10.722 1.00 0.00 C ATOM 0 H LEU A 823 -10.137 -23.614 9.628 1.00 0.00 H new ATOM 0 HA LEU A 823 -12.289 -22.263 8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -9.532 -21.391 9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -10.731 -20.243 8.863 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.125 -22.161 11.190 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -10.874 -20.058 12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -9.404 -20.381 11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.558 -19.140 11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -13.094 -20.795 11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.846 -19.836 10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -13.255 -21.564 10.145 1.00 0.00 H new ATOM 1158 N PHE A 824 -11.308 -20.925 6.398 1.00 0.00 N ATOM 1159 CA PHE A 824 -10.865 -20.283 5.159 1.00 0.00 C ATOM 1160 C PHE A 824 -10.686 -18.767 5.368 1.00 0.00 C ATOM 1161 O PHE A 824 -11.208 -17.930 4.630 1.00 0.00 O ATOM 1162 CB PHE A 824 -11.835 -20.653 4.024 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.275 -20.348 2.654 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.123 -21.025 2.213 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.859 -19.359 1.840 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -9.551 -20.711 0.972 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -11.293 -19.052 0.592 1.00 0.00 C ATOM 1168 CZ PHE A 824 -10.138 -19.727 0.159 1.00 0.00 C ATOM 0 H PHE A 824 -12.102 -20.447 6.824 1.00 0.00 H new ATOM 0 HA PHE A 824 -9.882 -20.650 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.072 -21.715 4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -12.770 -20.109 4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -9.678 -21.789 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.743 -18.836 2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -8.660 -21.225 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.745 -18.298 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.702 -19.489 -0.800 1.00 0.00 H new ATOM 1178 N LYS A 825 -9.965 -18.417 6.439 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.719 -17.042 6.917 1.00 0.00 C ATOM 1180 C LYS A 825 -8.256 -16.582 6.717 1.00 0.00 C ATOM 1181 O LYS A 825 -7.756 -15.689 7.410 1.00 0.00 O ATOM 1182 CB LYS A 825 -10.188 -16.938 8.379 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.714 -17.101 8.482 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.189 -16.608 9.853 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.698 -16.827 10.079 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.537 -15.958 9.212 1.00 0.00 N ATOM 0 H LYS A 825 -9.513 -19.116 7.029 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.300 -16.349 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.696 -17.704 8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.893 -15.973 8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -12.205 -16.535 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.989 -18.147 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.631 -17.126 10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -11.962 -15.546 9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -13.943 -17.871 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.937 -16.631 11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.542 -16.144 9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -14.326 -14.960 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.331 -16.162 8.213 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.568 -17.214 5.763 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.175 -16.962 5.369 1.00 0.00 C ATOM 1202 C TRP A 826 -5.835 -15.473 5.178 1.00 0.00 C ATOM 1203 O TRP A 826 -6.513 -14.758 4.431 1.00 0.00 O ATOM 1204 CB TRP A 826 -5.889 -17.736 4.075 1.00 0.00 C ATOM 1205 CG TRP A 826 -5.962 -19.230 4.174 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.860 -20.014 3.540 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -5.085 -20.144 4.907 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.572 -21.340 3.785 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.498 -21.482 4.637 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.965 -19.980 5.752 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.841 -22.598 5.177 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.309 -21.091 6.316 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.740 -22.398 6.029 1.00 0.00 C ATOM 0 H TRP A 826 -7.991 -17.960 5.211 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.542 -17.303 6.188 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.597 -17.407 3.314 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -4.894 -17.463 3.724 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.679 -19.657 2.933 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -7.091 -22.121 3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.606 -18.985 5.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -5.176 -23.597 4.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.467 -20.938 6.975 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -3.228 -23.245 6.461 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.748 -15.029 5.810 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.155 -13.697 5.675 1.00 0.00 C ATOM 1226 C GLU A 827 -2.866 -13.780 4.855 1.00 0.00 C ATOM 1227 O GLU A 827 -2.002 -14.610 5.143 1.00 0.00 O ATOM 1228 CB GLU A 827 -3.862 -13.156 7.086 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.199 -11.772 7.082 1.00 0.00 C ATOM 1230 CD GLU A 827 -3.170 -11.159 8.491 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -2.245 -11.466 9.279 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -4.077 -10.359 8.825 1.00 0.00 O ATOM 0 H GLU A 827 -4.231 -15.618 6.463 1.00 0.00 H new ATOM 0 HA GLU A 827 -4.842 -13.027 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -4.795 -13.102 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.215 -13.859 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -2.182 -11.855 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -3.741 -11.110 6.407 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.707 -12.897 3.866 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.466 -12.771 3.090 1.00 0.00 C ATOM 1241 C ARG A 828 -0.307 -12.327 3.995 1.00 0.00 C ATOM 1242 O ARG A 828 -0.372 -11.269 4.625 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.688 -11.776 1.932 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.456 -11.554 1.034 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.048 -12.777 0.195 1.00 0.00 C ATOM 1246 NE ARG A 828 -0.136 -12.496 -1.251 1.00 0.00 N ATOM 1247 CZ ARG A 828 0.784 -11.886 -1.992 1.00 0.00 C ATOM 1248 NH1 ARG A 828 1.945 -11.486 -1.520 1.00 0.00 N ATOM 1249 NH2 ARG A 828 0.584 -11.661 -3.272 1.00 0.00 N ATOM 0 H ARG A 828 -3.437 -12.246 3.578 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.198 -13.741 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.512 -12.135 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -1.996 -10.817 2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 828 -0.658 -10.720 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 828 0.387 -11.262 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 828 0.971 -13.069 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -0.693 -13.620 0.442 1.00 0.00 H new ATOM 0 HE ARG A 828 -0.985 -12.799 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 828 2.177 -11.639 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 828 2.613 -11.023 -2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 828 -0.288 -11.956 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 828 1.301 -11.192 -3.825 1.00 0.00 H new ATOM 1263 N VAL A 829 0.778 -13.096 3.995 1.00 0.00 N ATOM 1264 CA VAL A 829 2.076 -12.769 4.614 1.00 0.00 C ATOM 1265 C VAL A 829 3.204 -12.873 3.569 1.00 0.00 C ATOM 1266 O VAL A 829 2.950 -13.190 2.405 1.00 0.00 O ATOM 1267 CB VAL A 829 2.353 -13.608 5.892 1.00 0.00 C ATOM 1268 CG1 VAL A 829 1.296 -13.336 6.980 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.435 -15.122 5.640 1.00 0.00 C ATOM 0 H VAL A 829 0.785 -14.011 3.543 1.00 0.00 H new ATOM 0 HA VAL A 829 2.039 -11.735 4.957 1.00 0.00 H new ATOM 0 HB VAL A 829 3.336 -13.282 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 829 1.518 -13.938 7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 829 1.314 -12.280 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 829 0.308 -13.598 6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.631 -15.637 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.491 -15.473 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.242 -15.331 4.937 1.00 0.00 H new ATOM 1279 N GLY A 830 4.443 -12.557 3.954 1.00 0.00 N ATOM 1280 CA GLY A 830 5.580 -12.418 3.028 1.00 0.00 C ATOM 1281 C GLY A 830 6.762 -13.346 3.309 1.00 0.00 C ATOM 1282 O GLY A 830 6.953 -13.774 4.452 1.00 0.00 O ATOM 0 H GLY A 830 4.692 -12.388 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.227 -12.602 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.932 -11.387 3.061 1.00 0.00 H new