USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=24 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 159:sc= -1.02 USER MOD Set 1.2: A 803 CYS SG : rot -75:sc= 0.453 USER MOD Set 1.3: A 805 ASN : amide:sc= 1.38 K(o=3.7,f=0.82) USER MOD Set 1.4: A 818 CYS SG : rot 130:sc= 2.59 USER MOD Set 1.5: A 820 THR OG1 : rot 180:sc= 0 USER MOD Set 1.6: A 821 CYS SG : rot -47:sc= 0.326 USER MOD Set 2.1: A 816 LYS NZ :NH3+ -179:sc= 1.35 (180deg=0.878) USER MOD Set 2.2: A 819 SER OG : rot 154:sc= 0.426 USER MOD Set 3.1: A 768 CYS SG : rot 168:sc= 0.084 USER MOD Set 3.2: A 771 CYS SG : rot 80:sc= 0.169 USER MOD Set 3.3: A 773 TYR OH : rot -160:sc= 1.35 USER MOD Set 3.4: A 782 CYS SG : rot -60:sc= 1.54 USER MOD Set 3.5: A 787 HIS : no HD1:sc= 1.23 K(o=4.4,f=-0.67!) USER MOD Set 4.1: A 767 THR OG1 : rot 180:sc= 0.369 USER MOD Set 4.2: A 774 THR OG1 : rot -73:sc= 0.393 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= -0.118 USER MOD Single : A 769 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 770 THR OG1 : rot 180:sc= 0.0516 USER MOD Single : A 772 LYS NZ :NH3+ 176:sc= 1.37 (180deg=1.35) USER MOD Single : A 775 HIS : no HE2:sc= 0.612 K(o=0.61,f=-1.9!) 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= 0.0238 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 786 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 790 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 792 HIS : no HE2:sc= -0.0326 X(o=-0.033,f=-0.48) USER MOD Single : A 793 ASN : amide:sc= 0.221 X(o=0.22,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 180:sc= 0.0824 USER MOD Single : A 809 SER OG : rot 180:sc= 0.174 USER MOD Single : A 815 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0259) USER MOD Single : A 817 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N ARG A 759 9.199 -9.856 -1.157 1.00 0.00 N ATOM 113 CA ARG A 759 9.023 -10.771 -0.009 1.00 0.00 C ATOM 114 C ARG A 759 8.295 -12.089 -0.369 1.00 0.00 C ATOM 115 O ARG A 759 7.498 -12.618 0.407 1.00 0.00 O ATOM 116 CB ARG A 759 8.357 -10.011 1.151 1.00 0.00 C ATOM 117 CG ARG A 759 6.930 -9.539 0.822 1.00 0.00 C ATOM 118 CD ARG A 759 6.466 -8.566 1.906 1.00 0.00 C ATOM 119 NE ARG A 759 5.022 -8.297 1.815 1.00 0.00 N ATOM 120 CZ ARG A 759 4.275 -7.672 2.720 1.00 0.00 C ATOM 121 NH1 ARG A 759 4.783 -7.194 3.839 1.00 0.00 N ATOM 122 NH2 ARG A 759 2.984 -7.528 2.511 1.00 0.00 N ATOM 0 HA ARG A 759 10.011 -11.101 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 759 8.327 -10.655 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 759 8.969 -9.147 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 759 6.909 -9.053 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 759 6.254 -10.392 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 759 6.698 -8.978 2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 759 7.017 -7.630 1.815 1.00 0.00 H new ATOM 0 HE ARG A 759 4.547 -8.623 0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 759 5.779 -7.298 4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 759 4.180 -6.720 4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 759 2.561 -7.895 1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 759 2.406 -7.049 3.202 1.00 0.00 H new ATOM 136 N GLU A 760 8.541 -12.587 -1.575 1.00 0.00 N ATOM 137 CA GLU A 760 8.022 -13.811 -2.191 1.00 0.00 C ATOM 138 C GLU A 760 8.909 -14.163 -3.396 1.00 0.00 C ATOM 139 O GLU A 760 9.394 -13.275 -4.102 1.00 0.00 O ATOM 140 CB GLU A 760 6.534 -13.681 -2.575 1.00 0.00 C ATOM 141 CG GLU A 760 6.179 -12.440 -3.406 1.00 0.00 C ATOM 142 CD GLU A 760 4.706 -12.444 -3.839 1.00 0.00 C ATOM 143 OE1 GLU A 760 3.803 -12.530 -2.972 1.00 0.00 O ATOM 144 OE2 GLU A 760 4.428 -12.323 -5.054 1.00 0.00 O ATOM 0 H GLU A 760 9.171 -12.098 -2.212 1.00 0.00 H new ATOM 0 HA GLU A 760 8.062 -14.626 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 760 6.241 -14.569 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 760 5.939 -13.669 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 760 6.384 -11.542 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 760 6.817 -12.399 -4.289 1.00 0.00 H new ATOM 151 N GLN A 761 9.189 -15.457 -3.588 1.00 0.00 N ATOM 152 CA GLN A 761 10.328 -15.930 -4.382 1.00 0.00 C ATOM 153 C GLN A 761 9.905 -16.771 -5.591 1.00 0.00 C ATOM 154 O GLN A 761 8.944 -17.543 -5.540 1.00 0.00 O ATOM 155 CB GLN A 761 11.310 -16.683 -3.465 1.00 0.00 C ATOM 156 CG GLN A 761 10.741 -17.987 -2.867 1.00 0.00 C ATOM 157 CD GLN A 761 11.663 -18.571 -1.797 1.00 0.00 C ATOM 158 OE1 GLN A 761 12.333 -19.579 -1.988 1.00 0.00 O ATOM 159 NE2 GLN A 761 11.747 -17.954 -0.630 1.00 0.00 N ATOM 0 H GLN A 761 8.627 -16.211 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 761 10.832 -15.061 -4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 761 12.211 -16.919 -4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 761 11.609 -16.023 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 761 9.760 -17.790 -2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 761 10.597 -18.719 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 761 11.195 -17.114 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 761 12.363 -18.318 0.096 1.00 0.00 H new ATOM 168 N SER A 762 10.650 -16.645 -6.690 1.00 0.00 N ATOM 169 CA SER A 762 10.440 -17.437 -7.909 1.00 0.00 C ATOM 170 C SER A 762 10.973 -18.879 -7.774 1.00 0.00 C ATOM 171 O SER A 762 11.934 -19.152 -7.041 1.00 0.00 O ATOM 172 CB SER A 762 11.049 -16.725 -9.129 1.00 0.00 C ATOM 173 OG SER A 762 12.430 -16.401 -8.948 1.00 0.00 O ATOM 0 H SER A 762 11.424 -15.985 -6.763 1.00 0.00 H new ATOM 0 HA SER A 762 9.364 -17.519 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 762 10.942 -17.362 -10.007 1.00 0.00 H new ATOM 0 HB3 SER A 762 10.489 -15.811 -9.328 1.00 0.00 H new ATOM 0 HG SER A 762 12.769 -15.953 -9.751 1.00 0.00 H new ATOM 179 N CYS A 763 10.356 -19.808 -8.510 1.00 0.00 N ATOM 180 CA CYS A 763 10.674 -21.241 -8.525 1.00 0.00 C ATOM 181 C CYS A 763 10.191 -21.894 -9.837 1.00 0.00 C ATOM 182 O CYS A 763 9.581 -21.221 -10.682 1.00 0.00 O ATOM 183 CB CYS A 763 10.055 -21.873 -7.259 1.00 0.00 C ATOM 184 SG CYS A 763 10.841 -23.472 -6.884 1.00 0.00 S ATOM 0 H CYS A 763 9.588 -19.573 -9.139 1.00 0.00 H new ATOM 0 HA CYS A 763 11.751 -21.407 -8.501 1.00 0.00 H new ATOM 0 HB2 CYS A 763 10.176 -21.196 -6.413 1.00 0.00 H new ATOM 0 HB3 CYS A 763 8.984 -22.014 -7.404 1.00 0.00 H new ATOM 0 HG CYS A 763 10.304 -23.980 -5.815 1.00 0.00 H new ATOM 190 N ARG A 764 10.455 -23.189 -10.026 1.00 0.00 N ATOM 191 CA ARG A 764 9.847 -23.998 -11.085 1.00 0.00 C ATOM 192 C ARG A 764 8.559 -24.649 -10.561 1.00 0.00 C ATOM 193 O ARG A 764 8.485 -25.056 -9.401 1.00 0.00 O ATOM 194 CB ARG A 764 10.848 -25.037 -11.617 1.00 0.00 C ATOM 195 CG ARG A 764 10.538 -25.385 -13.085 1.00 0.00 C ATOM 196 CD ARG A 764 11.363 -26.563 -13.607 1.00 0.00 C ATOM 197 NE ARG A 764 12.813 -26.283 -13.578 1.00 0.00 N ATOM 198 CZ ARG A 764 13.725 -26.837 -12.790 1.00 0.00 C ATOM 199 NH1 ARG A 764 13.421 -27.745 -11.888 1.00 0.00 N ATOM 200 NH2 ARG A 764 14.983 -26.469 -12.898 1.00 0.00 N ATOM 0 H ARG A 764 11.106 -23.712 -9.440 1.00 0.00 H new ATOM 0 HA ARG A 764 9.581 -23.357 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 764 11.863 -24.647 -11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 764 10.804 -25.939 -11.006 1.00 0.00 H new ATOM 0 HG2 ARG A 764 9.478 -25.620 -13.181 1.00 0.00 H new ATOM 0 HG3 ARG A 764 10.728 -24.511 -13.708 1.00 0.00 H new ATOM 0 HD2 ARG A 764 11.153 -27.447 -13.005 1.00 0.00 H new ATOM 0 HD3 ARG A 764 11.059 -26.793 -14.628 1.00 0.00 H new ATOM 0 HE ARG A 764 13.152 -25.584 -14.239 1.00 0.00 H new ATOM 0 HH11 ARG A 764 12.454 -28.048 -11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 764 14.153 -28.146 -11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 764 15.251 -25.763 -13.584 1.00 0.00 H new ATOM 0 HH22 ARG A 764 15.691 -26.890 -12.296 1.00 0.00 H new ATOM 214 N VAL A 765 7.541 -24.735 -11.414 1.00 0.00 N ATOM 215 CA VAL A 765 6.189 -25.235 -11.111 1.00 0.00 C ATOM 216 C VAL A 765 5.704 -26.174 -12.225 1.00 0.00 C ATOM 217 O VAL A 765 6.258 -26.175 -13.325 1.00 0.00 O ATOM 218 CB VAL A 765 5.178 -24.082 -10.875 1.00 0.00 C ATOM 219 CG1 VAL A 765 5.584 -23.217 -9.671 1.00 0.00 C ATOM 220 CG2 VAL A 765 5.000 -23.173 -12.099 1.00 0.00 C ATOM 0 H VAL A 765 7.635 -24.444 -12.387 1.00 0.00 H new ATOM 0 HA VAL A 765 6.248 -25.798 -10.180 1.00 0.00 H new ATOM 0 HB VAL A 765 4.225 -24.573 -10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 765 4.854 -22.419 -9.534 1.00 0.00 H new ATOM 0 HG12 VAL A 765 5.618 -23.835 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 765 6.568 -22.783 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 765 4.280 -22.388 -11.867 1.00 0.00 H new ATOM 0 HG22 VAL A 765 5.958 -22.722 -12.360 1.00 0.00 H new ATOM 0 HG23 VAL A 765 4.635 -23.763 -12.940 1.00 0.00 H new ATOM 230 N VAL A 766 4.674 -26.975 -11.939 1.00 0.00 N ATOM 231 CA VAL A 766 4.169 -28.035 -12.838 1.00 0.00 C ATOM 232 C VAL A 766 2.655 -27.939 -13.021 1.00 0.00 C ATOM 233 O VAL A 766 1.956 -27.581 -12.074 1.00 0.00 O ATOM 234 CB VAL A 766 4.576 -29.440 -12.320 1.00 0.00 C ATOM 235 CG1 VAL A 766 3.835 -29.868 -11.042 1.00 0.00 C ATOM 236 CG2 VAL A 766 4.376 -30.538 -13.377 1.00 0.00 C ATOM 0 H VAL A 766 4.154 -26.910 -11.064 1.00 0.00 H new ATOM 0 HA VAL A 766 4.629 -27.886 -13.815 1.00 0.00 H new ATOM 0 HB VAL A 766 5.636 -29.334 -12.089 1.00 0.00 H new ATOM 0 HG11 VAL A 766 4.172 -30.860 -10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 766 4.045 -29.156 -10.244 1.00 0.00 H new ATOM 0 HG13 VAL A 766 2.762 -29.892 -11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 766 4.676 -31.501 -12.963 1.00 0.00 H new ATOM 0 HG22 VAL A 766 3.326 -30.578 -13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 766 4.985 -30.315 -14.253 1.00 0.00 H new ATOM 246 N THR A 767 2.151 -28.318 -14.197 1.00 0.00 N ATOM 247 CA THR A 767 0.740 -28.642 -14.440 1.00 0.00 C ATOM 248 C THR A 767 0.648 -30.065 -14.973 1.00 0.00 C ATOM 249 O THR A 767 1.146 -30.339 -16.070 1.00 0.00 O ATOM 250 CB THR A 767 0.108 -27.638 -15.421 1.00 0.00 C ATOM 251 OG1 THR A 767 0.116 -26.365 -14.813 1.00 0.00 O ATOM 252 CG2 THR A 767 -1.353 -27.956 -15.753 1.00 0.00 C ATOM 0 H THR A 767 2.729 -28.411 -15.032 1.00 0.00 H new ATOM 0 HA THR A 767 0.183 -28.572 -13.506 1.00 0.00 H new ATOM 0 HB THR A 767 0.689 -27.684 -16.342 1.00 0.00 H new ATOM 0 HG1 THR A 767 -0.282 -25.709 -15.423 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.739 -27.211 -16.449 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.416 -28.944 -16.208 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.946 -27.939 -14.838 1.00 0.00 H new ATOM 260 N CYS A 768 -0.005 -30.953 -14.221 1.00 0.00 N ATOM 261 CA CYS A 768 -0.380 -32.292 -14.683 1.00 0.00 C ATOM 262 C CYS A 768 -1.489 -32.158 -15.736 1.00 0.00 C ATOM 263 O CYS A 768 -2.552 -31.596 -15.470 1.00 0.00 O ATOM 264 CB CYS A 768 -0.818 -33.153 -13.482 1.00 0.00 C ATOM 265 SG CYS A 768 -1.095 -34.890 -13.999 1.00 0.00 S ATOM 0 H CYS A 768 -0.292 -30.760 -13.261 1.00 0.00 H new ATOM 0 HA CYS A 768 0.470 -32.793 -15.146 1.00 0.00 H new ATOM 0 HB2 CYS A 768 -0.055 -33.117 -12.704 1.00 0.00 H new ATOM 0 HB3 CYS A 768 -1.733 -32.746 -13.050 1.00 0.00 H new ATOM 0 HG CYS A 768 -1.202 -35.644 -12.946 1.00 0.00 H new ATOM 270 N LYS A 769 -1.253 -32.647 -16.949 1.00 0.00 N ATOM 271 CA LYS A 769 -2.223 -32.609 -18.047 1.00 0.00 C ATOM 272 C LYS A 769 -3.267 -33.734 -17.933 1.00 0.00 C ATOM 273 O LYS A 769 -4.372 -33.608 -18.471 1.00 0.00 O ATOM 274 CB LYS A 769 -1.455 -32.663 -19.382 1.00 0.00 C ATOM 275 CG LYS A 769 -0.412 -31.541 -19.583 1.00 0.00 C ATOM 276 CD LYS A 769 -0.957 -30.104 -19.503 1.00 0.00 C ATOM 277 CE LYS A 769 -1.976 -29.825 -20.620 1.00 0.00 C ATOM 278 NZ LYS A 769 -2.440 -28.412 -20.620 1.00 0.00 N ATOM 0 H LYS A 769 -0.370 -33.089 -17.205 1.00 0.00 H new ATOM 0 HA LYS A 769 -2.789 -31.679 -17.996 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -0.949 -33.626 -19.454 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -2.175 -32.620 -20.200 1.00 0.00 H new ATOM 0 HG2 LYS A 769 0.369 -31.657 -18.831 1.00 0.00 H new ATOM 0 HG3 LYS A 769 0.059 -31.678 -20.556 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -1.427 -29.945 -18.532 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -0.132 -29.396 -19.577 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -1.526 -30.058 -21.585 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -2.834 -30.487 -20.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -3.125 -28.272 -21.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -2.893 -28.195 -19.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -1.627 -27.779 -20.761 1.00 0.00 H new ATOM 292 N THR A 770 -2.948 -34.810 -17.198 1.00 0.00 N ATOM 293 CA THR A 770 -3.836 -35.954 -16.946 1.00 0.00 C ATOM 294 C THR A 770 -4.924 -35.591 -15.927 1.00 0.00 C ATOM 295 O THR A 770 -6.098 -35.838 -16.212 1.00 0.00 O ATOM 296 CB THR A 770 -3.011 -37.170 -16.502 1.00 0.00 C ATOM 297 OG1 THR A 770 -1.995 -37.429 -17.454 1.00 0.00 O ATOM 298 CG2 THR A 770 -3.857 -38.438 -16.372 1.00 0.00 C ATOM 0 H THR A 770 -2.038 -34.911 -16.749 1.00 0.00 H new ATOM 0 HA THR A 770 -4.348 -36.218 -17.872 1.00 0.00 H new ATOM 0 HB THR A 770 -2.595 -36.925 -15.525 1.00 0.00 H new ATOM 0 HG1 THR A 770 -1.469 -38.204 -17.168 1.00 0.00 H new ATOM 0 HG21 THR A 770 -3.224 -39.267 -16.056 1.00 0.00 H new ATOM 0 HG22 THR A 770 -4.642 -38.278 -15.632 1.00 0.00 H new ATOM 0 HG23 THR A 770 -4.309 -38.674 -17.335 1.00 0.00 H new ATOM 306 N CYS A 771 -4.573 -34.958 -14.797 1.00 0.00 N ATOM 307 CA CYS A 771 -5.525 -34.574 -13.738 1.00 0.00 C ATOM 308 C CYS A 771 -5.982 -33.093 -13.815 1.00 0.00 C ATOM 309 O CYS A 771 -6.971 -32.718 -13.179 1.00 0.00 O ATOM 310 CB CYS A 771 -4.862 -34.821 -12.376 1.00 0.00 C ATOM 311 SG CYS A 771 -4.311 -36.547 -12.123 1.00 0.00 S ATOM 0 H CYS A 771 -3.610 -34.695 -14.589 1.00 0.00 H new ATOM 0 HA CYS A 771 -6.419 -35.183 -13.875 1.00 0.00 H new ATOM 0 HB2 CYS A 771 -4.003 -34.157 -12.275 1.00 0.00 H new ATOM 0 HB3 CYS A 771 -5.565 -34.555 -11.587 1.00 0.00 H new ATOM 0 HG CYS A 771 -3.179 -36.735 -12.734 1.00 0.00 H new ATOM 316 N LYS A 772 -5.263 -32.248 -14.569 1.00 0.00 N ATOM 317 CA LYS A 772 -5.549 -30.830 -14.866 1.00 0.00 C ATOM 318 C LYS A 772 -5.304 -29.860 -13.679 1.00 0.00 C ATOM 319 O LYS A 772 -5.847 -28.751 -13.669 1.00 0.00 O ATOM 320 CB LYS A 772 -6.930 -30.658 -15.543 1.00 0.00 C ATOM 321 CG LYS A 772 -7.113 -31.473 -16.841 1.00 0.00 C ATOM 322 CD LYS A 772 -8.088 -32.646 -16.680 1.00 0.00 C ATOM 323 CE LYS A 772 -8.338 -33.401 -18.000 1.00 0.00 C ATOM 324 NZ LYS A 772 -7.200 -34.267 -18.395 1.00 0.00 N ATOM 0 H LYS A 772 -4.403 -32.557 -15.022 1.00 0.00 H new ATOM 0 HA LYS A 772 -4.801 -30.520 -15.596 1.00 0.00 H new ATOM 0 HB2 LYS A 772 -7.706 -30.948 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 772 -7.081 -29.602 -15.768 1.00 0.00 H new ATOM 0 HG2 LYS A 772 -7.474 -30.813 -17.630 1.00 0.00 H new ATOM 0 HG3 LYS A 772 -6.144 -31.855 -17.163 1.00 0.00 H new ATOM 0 HD2 LYS A 772 -7.694 -33.341 -15.938 1.00 0.00 H new ATOM 0 HD3 LYS A 772 -9.037 -32.273 -16.295 1.00 0.00 H new ATOM 0 HE2 LYS A 772 -9.235 -34.012 -17.899 1.00 0.00 H new ATOM 0 HE3 LYS A 772 -8.532 -32.680 -18.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 772 -7.451 -34.800 -19.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 772 -6.365 -33.677 -18.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 772 -6.985 -34.931 -17.624 1.00 0.00 H new ATOM 338 N TYR A 773 -4.491 -30.243 -12.679 1.00 0.00 N ATOM 339 CA TYR A 773 -4.072 -29.370 -11.558 1.00 0.00 C ATOM 340 C TYR A 773 -2.690 -28.722 -11.781 1.00 0.00 C ATOM 341 O TYR A 773 -1.847 -29.275 -12.494 1.00 0.00 O ATOM 342 CB TYR A 773 -4.110 -30.133 -10.217 1.00 0.00 C ATOM 343 CG TYR A 773 -3.030 -31.179 -9.996 1.00 0.00 C ATOM 344 CD1 TYR A 773 -1.737 -30.784 -9.610 1.00 0.00 C ATOM 345 CD2 TYR A 773 -3.321 -32.548 -10.136 1.00 0.00 C ATOM 346 CE1 TYR A 773 -0.730 -31.742 -9.394 1.00 0.00 C ATOM 347 CE2 TYR A 773 -2.329 -33.514 -9.881 1.00 0.00 C ATOM 348 CZ TYR A 773 -1.021 -33.113 -9.531 1.00 0.00 C ATOM 349 OH TYR A 773 -0.036 -34.027 -9.312 1.00 0.00 O ATOM 0 H TYR A 773 -4.098 -31.182 -12.622 1.00 0.00 H new ATOM 0 HA TYR A 773 -4.795 -28.555 -11.518 1.00 0.00 H new ATOM 0 HB2 TYR A 773 -4.048 -29.404 -9.409 1.00 0.00 H new ATOM 0 HB3 TYR A 773 -5.080 -30.622 -10.131 1.00 0.00 H new ATOM 0 HD1 TYR A 773 -1.515 -29.735 -9.478 1.00 0.00 H new ATOM 0 HD2 TYR A 773 -4.309 -32.859 -10.440 1.00 0.00 H new ATOM 0 HE1 TYR A 773 0.267 -31.426 -9.123 1.00 0.00 H new ATOM 0 HE2 TYR A 773 -2.569 -34.565 -9.953 1.00 0.00 H new ATOM 0 HH TYR A 773 -0.276 -34.876 -9.739 1.00 0.00 H new ATOM 359 N THR A 774 -2.432 -27.583 -11.110 1.00 0.00 N ATOM 360 CA THR A 774 -1.137 -26.871 -11.064 1.00 0.00 C ATOM 361 C THR A 774 -0.552 -26.963 -9.656 1.00 0.00 C ATOM 362 O THR A 774 -1.293 -26.924 -8.675 1.00 0.00 O ATOM 363 CB THR A 774 -1.296 -25.409 -11.505 1.00 0.00 C ATOM 364 OG1 THR A 774 -1.912 -25.388 -12.783 1.00 0.00 O ATOM 365 CG2 THR A 774 0.034 -24.653 -11.623 1.00 0.00 C ATOM 0 H THR A 774 -3.151 -27.112 -10.561 1.00 0.00 H new ATOM 0 HA THR A 774 -0.447 -27.346 -11.762 1.00 0.00 H new ATOM 0 HB THR A 774 -1.892 -24.915 -10.738 1.00 0.00 H new ATOM 0 HG1 THR A 774 -1.269 -25.684 -13.461 1.00 0.00 H new ATOM 0 HG21 THR A 774 -0.157 -23.627 -11.939 1.00 0.00 H new ATOM 0 HG22 THR A 774 0.536 -24.647 -10.656 1.00 0.00 H new ATOM 0 HG23 THR A 774 0.669 -25.147 -12.359 1.00 0.00 H new ATOM 373 N HIS A 775 0.768 -27.108 -9.544 1.00 0.00 N ATOM 374 CA HIS A 775 1.471 -27.460 -8.307 1.00 0.00 C ATOM 375 C HIS A 775 2.963 -27.075 -8.342 1.00 0.00 C ATOM 376 O HIS A 775 3.519 -26.780 -9.403 1.00 0.00 O ATOM 377 CB HIS A 775 1.318 -28.979 -8.085 1.00 0.00 C ATOM 378 CG HIS A 775 0.986 -29.388 -6.672 1.00 0.00 C ATOM 379 ND1 HIS A 775 1.722 -30.240 -5.878 1.00 0.00 N ATOM 380 CD2 HIS A 775 -0.165 -29.087 -5.988 1.00 0.00 C ATOM 381 CE1 HIS A 775 1.051 -30.420 -4.731 1.00 0.00 C ATOM 382 NE2 HIS A 775 -0.105 -29.732 -4.745 1.00 0.00 N ATOM 0 H HIS A 775 1.399 -26.980 -10.335 1.00 0.00 H new ATOM 0 HA HIS A 775 1.028 -26.897 -7.485 1.00 0.00 H new ATOM 0 HB2 HIS A 775 0.536 -29.351 -8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 775 2.246 -29.469 -8.380 1.00 0.00 H new ATOM 0 HD1 HIS A 775 2.619 -30.660 -6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 775 -0.973 -28.464 -6.344 1.00 0.00 H new ATOM 0 HE1 HIS A 775 1.392 -31.033 -3.909 1.00 0.00 H new ATOM 390 N PHE A 776 3.633 -27.140 -7.189 1.00 0.00 N ATOM 391 CA PHE A 776 5.084 -26.925 -7.068 1.00 0.00 C ATOM 392 C PHE A 776 5.900 -28.100 -7.649 1.00 0.00 C ATOM 393 O PHE A 776 6.990 -27.903 -8.184 1.00 0.00 O ATOM 394 CB PHE A 776 5.437 -26.724 -5.579 1.00 0.00 C ATOM 395 CG PHE A 776 4.504 -25.814 -4.794 1.00 0.00 C ATOM 396 CD1 PHE A 776 4.687 -24.418 -4.806 1.00 0.00 C ATOM 397 CD2 PHE A 776 3.457 -26.370 -4.032 1.00 0.00 C ATOM 398 CE1 PHE A 776 3.815 -23.587 -4.075 1.00 0.00 C ATOM 399 CE2 PHE A 776 2.593 -25.542 -3.302 1.00 0.00 C ATOM 400 CZ PHE A 776 2.772 -24.152 -3.323 1.00 0.00 C ATOM 0 H PHE A 776 3.180 -27.346 -6.299 1.00 0.00 H new ATOM 0 HA PHE A 776 5.345 -26.038 -7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 776 5.454 -27.700 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 776 6.447 -26.319 -5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 776 5.496 -23.984 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 776 3.319 -27.441 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 776 3.949 -22.515 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 776 1.790 -25.975 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 776 2.107 -23.514 -2.760 1.00 0.00 H new ATOM 410 N LYS A 777 5.355 -29.319 -7.549 1.00 0.00 N ATOM 411 CA LYS A 777 5.910 -30.590 -8.062 1.00 0.00 C ATOM 412 C LYS A 777 4.802 -31.672 -8.142 1.00 0.00 C ATOM 413 O LYS A 777 3.823 -31.563 -7.388 1.00 0.00 O ATOM 414 CB LYS A 777 7.142 -31.040 -7.236 1.00 0.00 C ATOM 415 CG LYS A 777 6.882 -31.755 -5.892 1.00 0.00 C ATOM 416 CD LYS A 777 6.356 -30.878 -4.745 1.00 0.00 C ATOM 417 CE LYS A 777 7.397 -29.832 -4.319 1.00 0.00 C ATOM 418 NZ LYS A 777 7.044 -29.188 -3.026 1.00 0.00 N ATOM 0 H LYS A 777 4.460 -29.459 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 777 6.272 -30.432 -9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 777 7.739 -31.705 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 777 7.751 -30.159 -7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 777 6.166 -32.558 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 777 7.812 -32.222 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 777 5.441 -30.376 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 777 6.099 -31.507 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 777 8.374 -30.308 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 777 7.482 -29.069 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 777 7.773 -28.489 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 777 6.124 -28.712 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 777 6.988 -29.912 -2.281 1.00 0.00 H new ATOM 432 N PRO A 778 4.918 -32.693 -9.020 1.00 0.00 N ATOM 433 CA PRO A 778 3.872 -33.702 -9.201 1.00 0.00 C ATOM 434 C PRO A 778 3.846 -34.685 -8.025 1.00 0.00 C ATOM 435 O PRO A 778 4.865 -34.935 -7.379 1.00 0.00 O ATOM 436 CB PRO A 778 4.187 -34.391 -10.534 1.00 0.00 C ATOM 437 CG PRO A 778 5.702 -34.272 -10.629 1.00 0.00 C ATOM 438 CD PRO A 778 5.993 -32.923 -9.972 1.00 0.00 C ATOM 0 HA PRO A 778 2.876 -33.259 -9.225 1.00 0.00 H new ATOM 0 HB2 PRO A 778 3.863 -35.432 -10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 778 3.690 -33.899 -11.370 1.00 0.00 H new ATOM 0 HG2 PRO A 778 6.203 -35.089 -10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 778 6.043 -34.297 -11.664 1.00 0.00 H new ATOM 0 HD2 PRO A 778 6.961 -32.935 -9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 778 6.030 -32.128 -10.716 1.00 0.00 H new ATOM 446 N LYS A 779 2.669 -35.254 -7.751 1.00 0.00 N ATOM 447 CA LYS A 779 2.461 -36.227 -6.670 1.00 0.00 C ATOM 448 C LYS A 779 3.133 -37.587 -6.941 1.00 0.00 C ATOM 449 O LYS A 779 3.435 -37.949 -8.083 1.00 0.00 O ATOM 450 CB LYS A 779 0.948 -36.387 -6.412 1.00 0.00 C ATOM 451 CG LYS A 779 0.327 -35.110 -5.820 1.00 0.00 C ATOM 452 CD LYS A 779 -1.163 -35.287 -5.496 1.00 0.00 C ATOM 453 CE LYS A 779 -2.006 -35.495 -6.757 1.00 0.00 C ATOM 454 NZ LYS A 779 -3.456 -35.590 -6.447 1.00 0.00 N ATOM 0 H LYS A 779 1.821 -35.050 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 779 2.945 -35.837 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 779 0.445 -36.635 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 779 0.783 -37.221 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 779 0.864 -34.834 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 779 0.449 -34.288 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 779 -1.290 -36.141 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 779 -1.524 -34.409 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 779 -1.836 -34.669 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 779 -1.683 -36.405 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 779 -3.991 -35.731 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 779 -3.623 -36.394 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 779 -3.771 -34.712 -5.987 1.00 0.00 H new ATOM 468 N GLU A 780 3.317 -38.387 -5.891 1.00 0.00 N ATOM 469 CA GLU A 780 3.933 -39.720 -5.985 1.00 0.00 C ATOM 470 C GLU A 780 3.121 -40.673 -6.882 1.00 0.00 C ATOM 471 O GLU A 780 3.708 -41.421 -7.665 1.00 0.00 O ATOM 472 CB GLU A 780 4.111 -40.338 -4.587 1.00 0.00 C ATOM 473 CG GLU A 780 5.107 -39.562 -3.717 1.00 0.00 C ATOM 474 CD GLU A 780 5.298 -40.254 -2.360 1.00 0.00 C ATOM 475 OE1 GLU A 780 4.537 -39.949 -1.408 1.00 0.00 O ATOM 476 OE2 GLU A 780 6.211 -41.104 -2.227 1.00 0.00 O ATOM 0 H GLU A 780 3.043 -38.131 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 780 4.912 -39.585 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 780 3.145 -40.371 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 780 4.452 -41.368 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.065 -39.488 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 780 4.748 -38.544 -3.564 1.00 0.00 H new ATOM 483 N THR A 781 1.788 -40.580 -6.839 1.00 0.00 N ATOM 484 CA THR A 781 0.872 -41.288 -7.750 1.00 0.00 C ATOM 485 C THR A 781 1.055 -40.833 -9.193 1.00 0.00 C ATOM 486 O THR A 781 1.147 -41.680 -10.075 1.00 0.00 O ATOM 487 CB THR A 781 -0.587 -41.114 -7.307 1.00 0.00 C ATOM 488 OG1 THR A 781 -0.819 -39.769 -6.927 1.00 0.00 O ATOM 489 CG2 THR A 781 -0.891 -42.021 -6.116 1.00 0.00 C ATOM 0 H THR A 781 1.302 -39.999 -6.156 1.00 0.00 H new ATOM 0 HA THR A 781 1.120 -42.348 -7.703 1.00 0.00 H new ATOM 0 HB THR A 781 -1.234 -41.381 -8.143 1.00 0.00 H new ATOM 0 HG1 THR A 781 -1.752 -39.664 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 781 -1.929 -41.887 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 781 -0.727 -43.061 -6.399 1.00 0.00 H new ATOM 0 HG23 THR A 781 -0.234 -41.763 -5.285 1.00 0.00 H new ATOM 497 N CYS A 782 1.187 -39.526 -9.438 1.00 0.00 N ATOM 498 CA CYS A 782 1.394 -38.964 -10.775 1.00 0.00 C ATOM 499 C CYS A 782 2.745 -39.397 -11.387 1.00 0.00 C ATOM 500 O CYS A 782 2.807 -39.726 -12.570 1.00 0.00 O ATOM 501 CB CYS A 782 1.284 -37.434 -10.686 1.00 0.00 C ATOM 502 SG CYS A 782 -0.430 -36.967 -10.273 1.00 0.00 S ATOM 0 H CYS A 782 1.153 -38.820 -8.703 1.00 0.00 H new ATOM 0 HA CYS A 782 0.624 -39.350 -11.443 1.00 0.00 H new ATOM 0 HB2 CYS A 782 1.968 -37.054 -9.927 1.00 0.00 H new ATOM 0 HB3 CYS A 782 1.576 -36.982 -11.634 1.00 0.00 H new ATOM 0 HG CYS A 782 -1.233 -37.398 -11.201 1.00 0.00 H new ATOM 507 N VAL A 783 3.806 -39.438 -10.577 1.00 0.00 N ATOM 508 CA VAL A 783 5.135 -39.927 -10.996 1.00 0.00 C ATOM 509 C VAL A 783 5.143 -41.456 -11.192 1.00 0.00 C ATOM 510 O VAL A 783 5.690 -41.941 -12.180 1.00 0.00 O ATOM 511 CB VAL A 783 6.238 -39.480 -10.007 1.00 0.00 C ATOM 512 CG1 VAL A 783 7.625 -40.029 -10.397 1.00 0.00 C ATOM 513 CG2 VAL A 783 6.348 -37.942 -9.984 1.00 0.00 C ATOM 0 H VAL A 783 3.773 -39.132 -9.604 1.00 0.00 H new ATOM 0 HA VAL A 783 5.356 -39.475 -11.963 1.00 0.00 H new ATOM 0 HB VAL A 783 5.951 -39.872 -9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 783 8.367 -39.689 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 783 7.596 -41.119 -10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 783 7.893 -39.668 -11.390 1.00 0.00 H new ATOM 0 HG21 VAL A 783 7.128 -37.643 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 783 6.598 -37.580 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 783 5.396 -37.514 -9.671 1.00 0.00 H new ATOM 523 N SER A 784 4.505 -42.226 -10.299 1.00 0.00 N ATOM 524 CA SER A 784 4.459 -43.697 -10.363 1.00 0.00 C ATOM 525 C SER A 784 3.593 -44.223 -11.525 1.00 0.00 C ATOM 526 O SER A 784 4.009 -45.139 -12.243 1.00 0.00 O ATOM 527 CB SER A 784 3.944 -44.248 -9.022 1.00 0.00 C ATOM 528 OG SER A 784 4.018 -45.667 -8.970 1.00 0.00 O ATOM 0 H SER A 784 3.999 -41.841 -9.501 1.00 0.00 H new ATOM 0 HA SER A 784 5.473 -44.048 -10.552 1.00 0.00 H new ATOM 0 HB2 SER A 784 4.529 -43.824 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 784 2.912 -43.932 -8.872 1.00 0.00 H new ATOM 0 HG SER A 784 3.684 -45.980 -8.104 1.00 0.00 H new ATOM 534 N GLU A 785 2.423 -43.617 -11.764 1.00 0.00 N ATOM 535 CA GLU A 785 1.557 -43.921 -12.916 1.00 0.00 C ATOM 536 C GLU A 785 2.079 -43.300 -14.232 1.00 0.00 C ATOM 537 O GLU A 785 1.549 -43.603 -15.302 1.00 0.00 O ATOM 538 CB GLU A 785 0.123 -43.430 -12.650 1.00 0.00 C ATOM 539 CG GLU A 785 -0.583 -44.179 -11.506 1.00 0.00 C ATOM 540 CD GLU A 785 -2.012 -43.673 -11.250 1.00 0.00 C ATOM 541 OE1 GLU A 785 -2.671 -43.168 -12.194 1.00 0.00 O ATOM 542 OE2 GLU A 785 -2.504 -43.788 -10.102 1.00 0.00 O ATOM 0 H GLU A 785 2.044 -42.891 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 785 1.564 -45.004 -13.037 1.00 0.00 H new ATOM 0 HB2 GLU A 785 0.150 -42.366 -12.414 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -0.464 -43.539 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -0.617 -45.243 -11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 785 0.003 -44.073 -10.593 1.00 0.00 H new ATOM 549 N ASN A 786 3.092 -42.426 -14.163 1.00 0.00 N ATOM 550 CA ASN A 786 3.695 -41.724 -15.304 1.00 0.00 C ATOM 551 C ASN A 786 2.663 -40.871 -16.079 1.00 0.00 C ATOM 552 O ASN A 786 2.517 -40.982 -17.306 1.00 0.00 O ATOM 553 CB ASN A 786 4.508 -42.697 -16.188 1.00 0.00 C ATOM 554 CG ASN A 786 5.790 -43.181 -15.515 1.00 0.00 C ATOM 555 OD1 ASN A 786 6.878 -42.677 -15.781 1.00 0.00 O ATOM 556 ND2 ASN A 786 5.720 -44.174 -14.646 1.00 0.00 N ATOM 0 H ASN A 786 3.531 -42.179 -13.276 1.00 0.00 H new ATOM 0 HA ASN A 786 4.413 -41.000 -14.918 1.00 0.00 H new ATOM 0 HB2 ASN A 786 3.888 -43.558 -16.438 1.00 0.00 H new ATOM 0 HB3 ASN A 786 4.760 -42.203 -17.126 1.00 0.00 H new ATOM 0 HD21 ASN A 786 6.568 -44.520 -14.198 1.00 0.00 H new ATOM 0 HD22 ASN A 786 4.818 -44.594 -14.423 1.00 0.00 H new ATOM 563 N HIS A 787 1.930 -40.013 -15.350 1.00 0.00 N ATOM 564 CA HIS A 787 1.059 -38.974 -15.923 1.00 0.00 C ATOM 565 C HIS A 787 1.879 -38.005 -16.799 1.00 0.00 C ATOM 566 O HIS A 787 3.090 -37.859 -16.633 1.00 0.00 O ATOM 567 CB HIS A 787 0.329 -38.205 -14.798 1.00 0.00 C ATOM 568 CG HIS A 787 -0.742 -38.970 -14.049 1.00 0.00 C ATOM 569 ND1 HIS A 787 -1.647 -38.456 -13.112 1.00 0.00 N ATOM 570 CD2 HIS A 787 -0.996 -40.314 -14.174 1.00 0.00 C ATOM 571 CE1 HIS A 787 -2.408 -39.498 -12.701 1.00 0.00 C ATOM 572 NE2 HIS A 787 -2.033 -40.624 -13.322 1.00 0.00 N ATOM 0 H HIS A 787 1.926 -40.022 -14.330 1.00 0.00 H new ATOM 0 HA HIS A 787 0.312 -39.456 -16.553 1.00 0.00 H new ATOM 0 HB2 HIS A 787 1.073 -37.864 -14.078 1.00 0.00 H new ATOM 0 HB3 HIS A 787 -0.126 -37.315 -15.232 1.00 0.00 H new ATOM 0 HD2 HIS A 787 -0.476 -41.003 -14.823 1.00 0.00 H new ATOM 0 HE1 HIS A 787 -3.205 -39.431 -11.975 1.00 0.00 H new ATOM 0 HE2 HIS A 787 -2.443 -41.548 -13.188 1.00 0.00 H new ATOM 580 N ASP A 788 1.212 -37.321 -17.728 1.00 0.00 N ATOM 581 CA ASP A 788 1.828 -36.264 -18.538 1.00 0.00 C ATOM 582 C ASP A 788 1.798 -34.930 -17.786 1.00 0.00 C ATOM 583 O ASP A 788 0.775 -34.592 -17.192 1.00 0.00 O ATOM 584 CB ASP A 788 1.099 -36.146 -19.884 1.00 0.00 C ATOM 585 CG ASP A 788 1.849 -35.235 -20.869 1.00 0.00 C ATOM 586 OD1 ASP A 788 2.944 -35.638 -21.329 1.00 0.00 O ATOM 587 OD2 ASP A 788 1.349 -34.131 -21.180 1.00 0.00 O ATOM 0 H ASP A 788 0.228 -37.482 -17.942 1.00 0.00 H new ATOM 0 HA ASP A 788 2.870 -36.523 -18.727 1.00 0.00 H new ATOM 0 HB2 ASP A 788 0.985 -37.137 -20.322 1.00 0.00 H new ATOM 0 HB3 ASP A 788 0.096 -35.753 -19.719 1.00 0.00 H new ATOM 592 N PHE A 789 2.889 -34.156 -17.831 1.00 0.00 N ATOM 593 CA PHE A 789 2.957 -32.826 -17.214 1.00 0.00 C ATOM 594 C PHE A 789 3.706 -31.809 -18.083 1.00 0.00 C ATOM 595 O PHE A 789 4.665 -32.141 -18.778 1.00 0.00 O ATOM 596 CB PHE A 789 3.548 -32.859 -15.784 1.00 0.00 C ATOM 597 CG PHE A 789 4.042 -34.178 -15.216 1.00 0.00 C ATOM 598 CD1 PHE A 789 5.393 -34.559 -15.372 1.00 0.00 C ATOM 599 CD2 PHE A 789 3.179 -34.986 -14.449 1.00 0.00 C ATOM 600 CE1 PHE A 789 5.876 -35.729 -14.762 1.00 0.00 C ATOM 601 CE2 PHE A 789 3.664 -36.153 -13.834 1.00 0.00 C ATOM 602 CZ PHE A 789 5.008 -36.524 -13.994 1.00 0.00 C ATOM 0 H PHE A 789 3.752 -34.435 -18.298 1.00 0.00 H new ATOM 0 HA PHE A 789 1.922 -32.494 -17.135 1.00 0.00 H new ATOM 0 HB2 PHE A 789 4.382 -32.158 -15.758 1.00 0.00 H new ATOM 0 HB3 PHE A 789 2.787 -32.474 -15.105 1.00 0.00 H new ATOM 0 HD1 PHE A 789 6.059 -33.948 -15.963 1.00 0.00 H new ATOM 0 HD2 PHE A 789 2.142 -34.708 -14.333 1.00 0.00 H new ATOM 0 HE1 PHE A 789 6.910 -36.016 -14.883 1.00 0.00 H new ATOM 0 HE2 PHE A 789 3.002 -36.764 -13.238 1.00 0.00 H new ATOM 0 HZ PHE A 789 5.377 -37.424 -13.525 1.00 0.00 H new ATOM 612 N HIS A 790 3.286 -30.547 -17.988 1.00 0.00 N ATOM 613 CA HIS A 790 4.006 -29.375 -18.497 1.00 0.00 C ATOM 614 C HIS A 790 4.672 -28.626 -17.330 1.00 0.00 C ATOM 615 O HIS A 790 3.986 -28.194 -16.397 1.00 0.00 O ATOM 616 CB HIS A 790 3.020 -28.440 -19.219 1.00 0.00 C ATOM 617 CG HIS A 790 2.619 -28.850 -20.621 1.00 0.00 C ATOM 618 ND1 HIS A 790 2.287 -27.978 -21.637 1.00 0.00 N ATOM 619 CD2 HIS A 790 2.496 -30.117 -21.138 1.00 0.00 C ATOM 620 CE1 HIS A 790 1.973 -28.698 -22.729 1.00 0.00 C ATOM 621 NE2 HIS A 790 2.087 -30.015 -22.475 1.00 0.00 N ATOM 0 H HIS A 790 2.404 -30.302 -17.539 1.00 0.00 H new ATOM 0 HA HIS A 790 4.775 -29.700 -19.198 1.00 0.00 H new ATOM 0 HB2 HIS A 790 2.117 -28.360 -18.613 1.00 0.00 H new ATOM 0 HB3 HIS A 790 3.462 -27.445 -19.266 1.00 0.00 H new ATOM 0 HD2 HIS A 790 2.683 -31.037 -20.604 1.00 0.00 H new ATOM 0 HE1 HIS A 790 1.672 -28.278 -23.677 1.00 0.00 H new ATOM 0 HE2 HIS A 790 1.912 -30.783 -23.123 1.00 0.00 H new ATOM 629 N TRP A 791 5.995 -28.436 -17.382 1.00 0.00 N ATOM 630 CA TRP A 791 6.741 -27.607 -16.423 1.00 0.00 C ATOM 631 C TRP A 791 6.967 -26.175 -16.952 1.00 0.00 C ATOM 632 O TRP A 791 7.123 -25.956 -18.154 1.00 0.00 O ATOM 633 CB TRP A 791 8.076 -28.275 -16.096 1.00 0.00 C ATOM 634 CG TRP A 791 7.996 -29.509 -15.250 1.00 0.00 C ATOM 635 CD1 TRP A 791 7.789 -30.768 -15.703 1.00 0.00 C ATOM 636 CD2 TRP A 791 8.156 -29.635 -13.803 1.00 0.00 C ATOM 637 NE1 TRP A 791 7.828 -31.661 -14.648 1.00 0.00 N ATOM 638 CE2 TRP A 791 8.081 -31.019 -13.455 1.00 0.00 C ATOM 639 CE3 TRP A 791 8.378 -28.720 -12.745 1.00 0.00 C ATOM 640 CZ2 TRP A 791 8.266 -31.470 -12.139 1.00 0.00 C ATOM 641 CZ3 TRP A 791 8.541 -29.164 -11.418 1.00 0.00 C ATOM 642 CH2 TRP A 791 8.509 -30.537 -11.116 1.00 0.00 C ATOM 0 H TRP A 791 6.586 -28.857 -18.098 1.00 0.00 H new ATOM 0 HA TRP A 791 6.144 -27.522 -15.515 1.00 0.00 H new ATOM 0 HB2 TRP A 791 8.572 -28.530 -17.032 1.00 0.00 H new ATOM 0 HB3 TRP A 791 8.710 -27.549 -15.587 1.00 0.00 H new ATOM 0 HD1 TRP A 791 7.619 -31.035 -16.735 1.00 0.00 H new ATOM 0 HE1 TRP A 791 7.687 -32.667 -14.741 1.00 0.00 H new ATOM 0 HE3 TRP A 791 8.423 -27.662 -12.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 791 8.222 -32.525 -11.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 791 8.692 -28.445 -10.627 1.00 0.00 H new ATOM 0 HH2 TRP A 791 8.670 -30.873 -10.102 1.00 0.00 H new ATOM 653 N HIS A 792 7.041 -25.208 -16.041 1.00 0.00 N ATOM 654 CA HIS A 792 7.314 -23.793 -16.300 1.00 0.00 C ATOM 655 C HIS A 792 7.759 -23.086 -15.003 1.00 0.00 C ATOM 656 O HIS A 792 7.788 -23.709 -13.940 1.00 0.00 O ATOM 657 CB HIS A 792 6.083 -23.122 -16.945 1.00 0.00 C ATOM 658 CG HIS A 792 4.861 -23.021 -16.059 1.00 0.00 C ATOM 659 ND1 HIS A 792 4.344 -21.863 -15.511 1.00 0.00 N ATOM 660 CD2 HIS A 792 3.998 -24.036 -15.727 1.00 0.00 C ATOM 661 CE1 HIS A 792 3.207 -22.172 -14.870 1.00 0.00 C ATOM 662 NE2 HIS A 792 2.944 -23.491 -14.977 1.00 0.00 N ATOM 0 H HIS A 792 6.905 -25.399 -15.048 1.00 0.00 H new ATOM 0 HA HIS A 792 8.137 -23.706 -17.009 1.00 0.00 H new ATOM 0 HB2 HIS A 792 6.363 -22.118 -17.265 1.00 0.00 H new ATOM 0 HB3 HIS A 792 5.815 -23.679 -17.843 1.00 0.00 H new ATOM 0 HD1 HIS A 792 4.756 -20.933 -15.582 1.00 0.00 H new ATOM 0 HD2 HIS A 792 4.111 -25.076 -15.997 1.00 0.00 H new ATOM 0 HE1 HIS A 792 2.587 -21.463 -14.341 1.00 0.00 H new ATOM 670 N ASN A 793 8.101 -21.796 -15.050 1.00 0.00 N ATOM 671 CA ASN A 793 8.419 -20.995 -13.858 1.00 0.00 C ATOM 672 C ASN A 793 7.193 -20.222 -13.325 1.00 0.00 C ATOM 673 O ASN A 793 6.265 -19.897 -14.077 1.00 0.00 O ATOM 674 CB ASN A 793 9.590 -20.050 -14.162 1.00 0.00 C ATOM 675 CG ASN A 793 10.908 -20.802 -14.287 1.00 0.00 C ATOM 676 OD1 ASN A 793 11.449 -20.971 -15.374 1.00 0.00 O ATOM 677 ND2 ASN A 793 11.454 -21.288 -13.187 1.00 0.00 N ATOM 0 H ASN A 793 8.166 -21.271 -15.922 1.00 0.00 H new ATOM 0 HA ASN A 793 8.715 -21.680 -13.063 1.00 0.00 H new ATOM 0 HB2 ASN A 793 9.390 -19.511 -15.088 1.00 0.00 H new ATOM 0 HB3 ASN A 793 9.671 -19.305 -13.370 1.00 0.00 H new ATOM 0 HD21 ASN A 793 12.330 -21.807 -13.239 1.00 0.00 H new ATOM 0 HD22 ASN A 793 10.999 -21.144 -12.285 1.00 0.00 H new ATOM 684 N GLY A 794 7.219 -19.906 -12.025 1.00 0.00 N ATOM 685 CA GLY A 794 6.204 -19.115 -11.312 1.00 0.00 C ATOM 686 C GLY A 794 6.739 -18.484 -10.023 1.00 0.00 C ATOM 687 O GLY A 794 7.926 -18.606 -9.719 1.00 0.00 O ATOM 0 H GLY A 794 7.979 -20.206 -11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 794 5.835 -18.328 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 794 5.354 -19.754 -11.072 1.00 0.00 H new ATOM 691 N VAL A 795 5.871 -17.811 -9.265 1.00 0.00 N ATOM 692 CA VAL A 795 6.171 -17.241 -7.936 1.00 0.00 C ATOM 693 C VAL A 795 5.133 -17.730 -6.923 1.00 0.00 C ATOM 694 O VAL A 795 3.929 -17.545 -7.106 1.00 0.00 O ATOM 695 CB VAL A 795 6.203 -15.690 -7.947 1.00 0.00 C ATOM 696 CG1 VAL A 795 6.426 -15.114 -6.539 1.00 0.00 C ATOM 697 CG2 VAL A 795 7.309 -15.165 -8.875 1.00 0.00 C ATOM 0 H VAL A 795 4.910 -17.639 -9.561 1.00 0.00 H new ATOM 0 HA VAL A 795 7.167 -17.582 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 795 5.230 -15.363 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 795 6.442 -14.025 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 795 5.617 -15.435 -5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 795 7.377 -15.473 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 795 7.307 -14.075 -8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 795 8.277 -15.531 -8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 795 7.129 -15.516 -9.891 1.00 0.00 H new ATOM 707 N LYS A 796 5.611 -18.341 -5.838 1.00 0.00 N ATOM 708 CA LYS A 796 4.791 -18.864 -4.741 1.00 0.00 C ATOM 709 C LYS A 796 4.396 -17.769 -3.728 1.00 0.00 C ATOM 710 O LYS A 796 5.196 -16.879 -3.420 1.00 0.00 O ATOM 711 CB LYS A 796 5.541 -20.044 -4.093 1.00 0.00 C ATOM 712 CG LYS A 796 6.795 -19.613 -3.305 1.00 0.00 C ATOM 713 CD LYS A 796 7.854 -20.719 -3.199 1.00 0.00 C ATOM 714 CE LYS A 796 7.324 -21.958 -2.467 1.00 0.00 C ATOM 715 NZ LYS A 796 8.379 -22.995 -2.308 1.00 0.00 N ATOM 0 H LYS A 796 6.609 -18.491 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 796 3.842 -19.225 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 796 4.863 -20.572 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 796 5.834 -20.750 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 796 7.237 -18.741 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 796 6.498 -19.306 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 796 8.183 -21.002 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 796 8.728 -20.334 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 796 6.948 -21.668 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 796 6.483 -22.376 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 7.985 -23.818 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 8.720 -23.289 -3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 9.170 -22.604 -1.758 1.00 0.00 H new ATOM 729 N ARG A 797 3.161 -17.828 -3.227 1.00 0.00 N ATOM 730 CA ARG A 797 2.539 -16.839 -2.344 1.00 0.00 C ATOM 731 C ARG A 797 2.348 -17.435 -0.945 1.00 0.00 C ATOM 732 O ARG A 797 1.898 -18.579 -0.817 1.00 0.00 O ATOM 733 CB ARG A 797 1.178 -16.390 -2.933 1.00 0.00 C ATOM 734 CG ARG A 797 1.178 -16.067 -4.440 1.00 0.00 C ATOM 735 CD ARG A 797 2.221 -15.028 -4.877 1.00 0.00 C ATOM 736 NE ARG A 797 2.324 -14.978 -6.344 1.00 0.00 N ATOM 737 CZ ARG A 797 1.572 -14.274 -7.176 1.00 0.00 C ATOM 738 NH1 ARG A 797 0.589 -13.502 -6.760 1.00 0.00 N ATOM 739 NH2 ARG A 797 1.802 -14.333 -8.470 1.00 0.00 N ATOM 0 H ARG A 797 2.536 -18.606 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 797 3.189 -15.968 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 797 0.446 -17.176 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 797 0.841 -15.507 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 797 1.350 -16.989 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 797 0.188 -15.707 -4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 797 1.946 -14.046 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 797 3.191 -15.277 -4.448 1.00 0.00 H new ATOM 0 HE ARG A 797 3.056 -15.549 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 797 0.384 -13.430 -5.763 1.00 0.00 H new ATOM 0 HH12 ARG A 797 0.033 -12.976 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 797 2.556 -14.919 -8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 797 1.226 -13.793 -9.116 1.00 0.00 H new ATOM 753 N PHE A 798 2.693 -16.683 0.100 1.00 0.00 N ATOM 754 CA PHE A 798 2.651 -17.121 1.504 1.00 0.00 C ATOM 755 C PHE A 798 1.391 -16.585 2.216 1.00 0.00 C ATOM 756 O PHE A 798 0.996 -15.437 2.002 1.00 0.00 O ATOM 757 CB PHE A 798 3.930 -16.648 2.225 1.00 0.00 C ATOM 758 CG PHE A 798 5.255 -16.904 1.520 1.00 0.00 C ATOM 759 CD1 PHE A 798 5.580 -18.197 1.063 1.00 0.00 C ATOM 760 CD2 PHE A 798 6.200 -15.868 1.376 1.00 0.00 C ATOM 761 CE1 PHE A 798 6.819 -18.452 0.451 1.00 0.00 C ATOM 762 CE2 PHE A 798 7.443 -16.126 0.778 1.00 0.00 C ATOM 763 CZ PHE A 798 7.756 -17.412 0.308 1.00 0.00 C ATOM 0 H PHE A 798 3.020 -15.723 -0.005 1.00 0.00 H new ATOM 0 HA PHE A 798 2.604 -18.210 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 798 3.842 -15.576 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 798 3.967 -17.131 3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 798 4.869 -19.001 1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 798 5.967 -14.873 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 798 7.051 -19.443 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 798 8.165 -15.329 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 798 8.710 -17.602 -0.161 1.00 0.00 H new ATOM 773 N PHE A 799 0.785 -17.396 3.090 1.00 0.00 N ATOM 774 CA PHE A 799 -0.452 -17.059 3.810 1.00 0.00 C ATOM 775 C PHE A 799 -0.386 -17.404 5.301 1.00 0.00 C ATOM 776 O PHE A 799 0.341 -18.304 5.726 1.00 0.00 O ATOM 777 CB PHE A 799 -1.661 -17.754 3.163 1.00 0.00 C ATOM 778 CG PHE A 799 -1.828 -17.446 1.686 1.00 0.00 C ATOM 779 CD1 PHE A 799 -1.189 -18.245 0.721 1.00 0.00 C ATOM 780 CD2 PHE A 799 -2.576 -16.323 1.281 1.00 0.00 C ATOM 781 CE1 PHE A 799 -1.268 -17.901 -0.635 1.00 0.00 C ATOM 782 CE2 PHE A 799 -2.651 -15.983 -0.082 1.00 0.00 C ATOM 783 CZ PHE A 799 -1.984 -16.762 -1.041 1.00 0.00 C ATOM 0 H PHE A 799 1.145 -18.322 3.322 1.00 0.00 H new ATOM 0 HA PHE A 799 -0.569 -15.978 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 799 -1.560 -18.832 3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -2.566 -17.454 3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 799 -0.638 -19.123 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -3.092 -15.723 2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 799 -0.775 -18.516 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -3.223 -15.121 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 799 -2.021 -16.487 -2.085 1.00 0.00 H new ATOM 793 N LYS A 800 -1.195 -16.696 6.091 1.00 0.00 N ATOM 794 CA LYS A 800 -1.332 -16.853 7.544 1.00 0.00 C ATOM 795 C LYS A 800 -2.806 -16.768 7.990 1.00 0.00 C ATOM 796 O LYS A 800 -3.589 -15.976 7.459 1.00 0.00 O ATOM 797 CB LYS A 800 -0.465 -15.770 8.218 1.00 0.00 C ATOM 798 CG LYS A 800 -0.470 -15.841 9.754 1.00 0.00 C ATOM 799 CD LYS A 800 0.537 -14.852 10.350 1.00 0.00 C ATOM 800 CE LYS A 800 0.481 -14.919 11.881 1.00 0.00 C ATOM 801 NZ LYS A 800 1.390 -13.922 12.503 1.00 0.00 N ATOM 0 H LYS A 800 -1.801 -15.964 5.721 1.00 0.00 H new ATOM 0 HA LYS A 800 -0.988 -17.842 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 800 0.561 -15.865 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 800 -0.820 -14.787 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 800 -1.469 -15.619 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 800 -0.226 -16.853 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 800 1.543 -15.088 10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 800 0.312 -13.840 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 800 -0.541 -14.741 12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 800 0.756 -15.920 12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 1.328 -13.994 13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.368 -14.108 12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.112 -12.965 12.205 1.00 0.00 H new ATOM 815 N CYS A 801 -3.178 -17.580 8.972 1.00 0.00 N ATOM 816 CA CYS A 801 -4.467 -17.591 9.666 1.00 0.00 C ATOM 817 C CYS A 801 -4.346 -16.861 11.032 1.00 0.00 C ATOM 818 O CYS A 801 -3.273 -16.950 11.644 1.00 0.00 O ATOM 819 CB CYS A 801 -4.849 -19.069 9.836 1.00 0.00 C ATOM 820 SG CYS A 801 -6.524 -19.285 10.519 1.00 0.00 S ATOM 0 H CYS A 801 -2.548 -18.297 9.331 1.00 0.00 H new ATOM 0 HA CYS A 801 -5.239 -17.064 9.105 1.00 0.00 H new ATOM 0 HB2 CYS A 801 -4.787 -19.570 8.870 1.00 0.00 H new ATOM 0 HB3 CYS A 801 -4.127 -19.554 10.493 1.00 0.00 H new ATOM 0 HG CYS A 801 -6.959 -20.476 10.232 1.00 0.00 H new ATOM 825 N PRO A 802 -5.395 -16.181 11.541 1.00 0.00 N ATOM 826 CA PRO A 802 -5.344 -15.449 12.814 1.00 0.00 C ATOM 827 C PRO A 802 -5.000 -16.290 14.060 1.00 0.00 C ATOM 828 O PRO A 802 -4.566 -15.704 15.052 1.00 0.00 O ATOM 829 CB PRO A 802 -6.705 -14.748 12.959 1.00 0.00 C ATOM 830 CG PRO A 802 -7.617 -15.475 11.972 1.00 0.00 C ATOM 831 CD PRO A 802 -6.649 -15.876 10.864 1.00 0.00 C ATOM 0 HA PRO A 802 -4.511 -14.747 12.771 1.00 0.00 H new ATOM 0 HB2 PRO A 802 -7.083 -14.823 13.978 1.00 0.00 H new ATOM 0 HB3 PRO A 802 -6.632 -13.686 12.724 1.00 0.00 H new ATOM 0 HG2 PRO A 802 -8.097 -16.342 12.426 1.00 0.00 H new ATOM 0 HG3 PRO A 802 -8.412 -14.828 11.602 1.00 0.00 H new ATOM 0 HD2 PRO A 802 -7.019 -16.740 10.313 1.00 0.00 H new ATOM 0 HD3 PRO A 802 -6.520 -15.069 10.143 1.00 0.00 H new ATOM 839 N CYS A 803 -5.135 -17.628 14.042 1.00 0.00 N ATOM 840 CA CYS A 803 -4.680 -18.509 15.126 1.00 0.00 C ATOM 841 C CYS A 803 -3.145 -18.746 15.156 1.00 0.00 C ATOM 842 O CYS A 803 -2.610 -19.260 16.149 1.00 0.00 O ATOM 843 CB CYS A 803 -5.447 -19.841 15.059 1.00 0.00 C ATOM 844 SG CYS A 803 -4.945 -20.828 13.609 1.00 0.00 S ATOM 0 H CYS A 803 -5.567 -18.130 13.266 1.00 0.00 H new ATOM 0 HA CYS A 803 -4.901 -17.995 16.062 1.00 0.00 H new ATOM 0 HB2 CYS A 803 -5.267 -20.412 15.970 1.00 0.00 H new ATOM 0 HB3 CYS A 803 -6.518 -19.644 15.013 1.00 0.00 H new ATOM 0 HG CYS A 803 -5.474 -20.322 12.535 1.00 0.00 H new ATOM 849 N GLY A 804 -2.433 -18.362 14.089 1.00 0.00 N ATOM 850 CA GLY A 804 -0.985 -18.539 13.891 1.00 0.00 C ATOM 851 C GLY A 804 -0.608 -19.622 12.865 1.00 0.00 C ATOM 852 O GLY A 804 0.567 -19.715 12.508 1.00 0.00 O ATOM 0 H GLY A 804 -2.873 -17.894 13.297 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -0.556 -17.589 13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -0.528 -18.789 14.849 1.00 0.00 H new ATOM 856 N ASN A 805 -1.566 -20.416 12.377 1.00 0.00 N ATOM 857 CA ASN A 805 -1.328 -21.433 11.335 1.00 0.00 C ATOM 858 C ASN A 805 -0.926 -20.790 9.983 1.00 0.00 C ATOM 859 O ASN A 805 -1.251 -19.632 9.714 1.00 0.00 O ATOM 860 CB ASN A 805 -2.568 -22.337 11.219 1.00 0.00 C ATOM 861 CG ASN A 805 -2.360 -23.591 10.363 1.00 0.00 C ATOM 862 OD1 ASN A 805 -1.249 -24.090 10.192 1.00 0.00 O ATOM 863 ND2 ASN A 805 -3.416 -24.123 9.781 1.00 0.00 N ATOM 0 H ASN A 805 -2.535 -20.375 12.692 1.00 0.00 H new ATOM 0 HA ASN A 805 -0.479 -22.053 11.624 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -2.875 -22.642 12.219 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -3.388 -21.756 10.797 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -3.311 -24.947 9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -4.338 -23.710 9.922 1.00 0.00 H new ATOM 870 N ARG A 806 -0.207 -21.540 9.134 1.00 0.00 N ATOM 871 CA ARG A 806 0.420 -21.073 7.882 1.00 0.00 C ATOM 872 C ARG A 806 0.110 -22.003 6.696 1.00 0.00 C ATOM 873 O ARG A 806 -0.150 -23.196 6.893 1.00 0.00 O ATOM 874 CB ARG A 806 1.949 -20.999 8.079 1.00 0.00 C ATOM 875 CG ARG A 806 2.421 -20.022 9.171 1.00 0.00 C ATOM 876 CD ARG A 806 2.039 -18.553 8.918 1.00 0.00 C ATOM 877 NE ARG A 806 2.557 -18.055 7.629 1.00 0.00 N ATOM 878 CZ ARG A 806 3.791 -17.628 7.373 1.00 0.00 C ATOM 879 NH1 ARG A 806 4.721 -17.543 8.305 1.00 0.00 N ATOM 880 NH2 ARG A 806 4.108 -17.267 6.153 1.00 0.00 N ATOM 0 H ARG A 806 -0.038 -22.531 9.306 1.00 0.00 H new ATOM 0 HA ARG A 806 0.010 -20.090 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 806 2.317 -21.996 8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 806 2.408 -20.711 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 806 2.001 -20.334 10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 806 3.505 -20.093 9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 806 0.954 -18.454 8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 806 2.427 -17.934 9.727 1.00 0.00 H new ATOM 0 HE ARG A 806 1.898 -18.036 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 806 4.506 -17.810 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 806 5.655 -17.210 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 806 3.411 -17.315 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 806 5.051 -16.938 5.947 1.00 0.00 H new ATOM 894 N THR A 807 0.219 -21.476 5.460 1.00 0.00 N ATOM 895 CA THR A 807 0.171 -22.240 4.196 1.00 0.00 C ATOM 896 C THR A 807 0.791 -21.448 3.042 1.00 0.00 C ATOM 897 O THR A 807 1.170 -20.287 3.207 1.00 0.00 O ATOM 898 CB THR A 807 -1.254 -22.750 3.903 1.00 0.00 C ATOM 899 OG1 THR A 807 -1.161 -23.773 2.936 1.00 0.00 O ATOM 900 CG2 THR A 807 -2.207 -21.670 3.391 1.00 0.00 C ATOM 0 H THR A 807 0.347 -20.475 5.309 1.00 0.00 H new ATOM 0 HA THR A 807 0.788 -23.132 4.308 1.00 0.00 H new ATOM 0 HB THR A 807 -1.671 -23.104 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 807 -2.057 -24.115 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 807 -3.188 -22.108 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 807 -2.295 -20.879 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.818 -21.252 2.463 1.00 0.00 H new ATOM 908 N ILE A 808 0.922 -22.093 1.885 1.00 0.00 N ATOM 909 CA ILE A 808 1.556 -21.578 0.656 1.00 0.00 C ATOM 910 C ILE A 808 0.712 -22.013 -0.553 1.00 0.00 C ATOM 911 O ILE A 808 0.210 -23.137 -0.585 1.00 0.00 O ATOM 912 CB ILE A 808 3.024 -22.092 0.530 1.00 0.00 C ATOM 913 CG1 ILE A 808 3.834 -21.828 1.823 1.00 0.00 C ATOM 914 CG2 ILE A 808 3.720 -21.447 -0.687 1.00 0.00 C ATOM 915 CD1 ILE A 808 5.318 -22.226 1.761 1.00 0.00 C ATOM 0 H ILE A 808 0.571 -23.043 1.765 1.00 0.00 H new ATOM 0 HA ILE A 808 1.599 -20.490 0.695 1.00 0.00 H new ATOM 0 HB ILE A 808 2.985 -23.171 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 808 3.769 -20.767 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 808 3.364 -22.369 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 808 4.743 -21.817 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 808 3.176 -21.704 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 808 3.734 -20.364 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 808 5.795 -22.001 2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 808 5.400 -23.294 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 808 5.812 -21.666 0.967 1.00 0.00 H new ATOM 927 N SER A 809 0.574 -21.157 -1.563 1.00 0.00 N ATOM 928 CA SER A 809 -0.104 -21.493 -2.826 1.00 0.00 C ATOM 929 C SER A 809 0.575 -20.825 -4.034 1.00 0.00 C ATOM 930 O SER A 809 1.319 -19.851 -3.888 1.00 0.00 O ATOM 931 CB SER A 809 -1.592 -21.112 -2.752 1.00 0.00 C ATOM 932 OG SER A 809 -2.298 -21.613 -3.877 1.00 0.00 O ATOM 0 H SER A 809 0.930 -20.202 -1.534 1.00 0.00 H new ATOM 0 HA SER A 809 -0.026 -22.571 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 809 -2.029 -21.510 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 809 -1.692 -20.028 -2.708 1.00 0.00 H new ATOM 0 HG SER A 809 -3.243 -21.361 -3.809 1.00 0.00 H new ATOM 938 N LEU A 810 0.317 -21.336 -5.244 1.00 0.00 N ATOM 939 CA LEU A 810 0.639 -20.653 -6.504 1.00 0.00 C ATOM 940 C LEU A 810 -0.459 -19.659 -6.935 1.00 0.00 C ATOM 941 O LEU A 810 -0.217 -18.813 -7.796 1.00 0.00 O ATOM 942 CB LEU A 810 0.908 -21.714 -7.584 1.00 0.00 C ATOM 943 CG LEU A 810 2.135 -22.620 -7.318 1.00 0.00 C ATOM 944 CD1 LEU A 810 2.300 -23.600 -8.480 1.00 0.00 C ATOM 945 CD2 LEU A 810 3.423 -21.810 -7.120 1.00 0.00 C ATOM 0 H LEU A 810 -0.126 -22.245 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 810 1.534 -20.049 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 810 0.024 -22.344 -7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 810 1.047 -21.210 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 810 1.956 -23.165 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 810 3.163 -24.240 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 810 1.404 -24.215 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 810 2.450 -23.045 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 810 4.255 -22.489 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 810 3.625 -21.223 -8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 810 3.305 -21.142 -6.267 1.00 0.00 H new ATOM 957 N ASP A 811 -1.655 -19.731 -6.339 1.00 0.00 N ATOM 958 CA ASP A 811 -2.770 -18.804 -6.563 1.00 0.00 C ATOM 959 C ASP A 811 -2.758 -17.621 -5.575 1.00 0.00 C ATOM 960 O ASP A 811 -2.081 -17.655 -4.542 1.00 0.00 O ATOM 961 CB ASP A 811 -4.104 -19.575 -6.466 1.00 0.00 C ATOM 962 CG ASP A 811 -4.289 -20.548 -7.643 1.00 0.00 C ATOM 963 OD1 ASP A 811 -4.503 -20.071 -8.785 1.00 0.00 O ATOM 964 OD2 ASP A 811 -4.241 -21.785 -7.431 1.00 0.00 O ATOM 0 H ASP A 811 -1.881 -20.462 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 811 -2.658 -18.380 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 811 -4.136 -20.129 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 811 -4.932 -18.867 -6.446 1.00 0.00 H new ATOM 969 N ARG A 812 -3.552 -16.582 -5.872 1.00 0.00 N ATOM 970 CA ARG A 812 -3.718 -15.369 -5.051 1.00 0.00 C ATOM 971 C ARG A 812 -4.324 -15.615 -3.654 1.00 0.00 C ATOM 972 O ARG A 812 -4.245 -14.731 -2.802 1.00 0.00 O ATOM 973 CB ARG A 812 -4.538 -14.324 -5.837 1.00 0.00 C ATOM 974 CG ARG A 812 -5.981 -14.764 -6.139 1.00 0.00 C ATOM 975 CD ARG A 812 -6.754 -13.667 -6.881 1.00 0.00 C ATOM 976 NE ARG A 812 -8.145 -14.077 -7.155 1.00 0.00 N ATOM 977 CZ ARG A 812 -9.074 -13.361 -7.782 1.00 0.00 C ATOM 978 NH1 ARG A 812 -8.826 -12.150 -8.240 1.00 0.00 N ATOM 979 NH2 ARG A 812 -10.277 -13.858 -7.963 1.00 0.00 N ATOM 0 H ARG A 812 -4.117 -16.560 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 812 -2.715 -14.992 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 812 -4.563 -13.394 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 812 -4.030 -14.110 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 812 -5.968 -15.673 -6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 812 -6.492 -15.006 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 812 -6.753 -12.754 -6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 812 -6.250 -13.436 -7.819 1.00 0.00 H new ATOM 0 HE ARG A 812 -8.422 -15.004 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 812 -7.901 -11.738 -8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 812 -9.559 -11.625 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 812 -10.499 -14.794 -7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 812 -10.989 -13.308 -8.444 1.00 0.00 H new ATOM 993 N LEU A 813 -4.918 -16.790 -3.414 1.00 0.00 N ATOM 994 CA LEU A 813 -5.508 -17.247 -2.146 1.00 0.00 C ATOM 995 C LEU A 813 -5.671 -18.785 -2.189 1.00 0.00 C ATOM 996 O LEU A 813 -6.089 -19.303 -3.234 1.00 0.00 O ATOM 997 CB LEU A 813 -6.873 -16.537 -1.948 1.00 0.00 C ATOM 998 CG LEU A 813 -7.457 -16.625 -0.526 1.00 0.00 C ATOM 999 CD1 LEU A 813 -6.679 -15.739 0.460 1.00 0.00 C ATOM 1000 CD2 LEU A 813 -8.925 -16.178 -0.542 1.00 0.00 C ATOM 0 H LEU A 813 -5.006 -17.494 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 813 -4.862 -16.998 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -6.759 -15.486 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 813 -7.592 -16.966 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 813 -7.377 -17.661 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -7.119 -15.826 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -5.638 -16.061 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -6.727 -14.701 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 813 -9.336 -16.241 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 813 -8.988 -15.149 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 813 -9.495 -16.826 -1.208 1.00 0.00 H new ATOM 1012 N PRO A 814 -5.385 -19.530 -1.098 1.00 0.00 N ATOM 1013 CA PRO A 814 -5.626 -20.971 -1.032 1.00 0.00 C ATOM 1014 C PRO A 814 -7.131 -21.268 -0.920 1.00 0.00 C ATOM 1015 O PRO A 814 -7.896 -20.451 -0.415 1.00 0.00 O ATOM 1016 CB PRO A 814 -4.858 -21.458 0.201 1.00 0.00 C ATOM 1017 CG PRO A 814 -4.906 -20.245 1.124 1.00 0.00 C ATOM 1018 CD PRO A 814 -4.800 -19.076 0.157 1.00 0.00 C ATOM 0 HA PRO A 814 -5.288 -21.484 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 814 -5.329 -22.330 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 814 -3.834 -21.740 -0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 814 -5.832 -20.211 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 814 -4.086 -20.251 1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 814 -5.331 -18.205 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 814 -3.760 -18.780 0.017 1.00 0.00 H new ATOM 1026 N LYS A 815 -7.554 -22.451 -1.375 1.00 0.00 N ATOM 1027 CA LYS A 815 -8.964 -22.894 -1.327 1.00 0.00 C ATOM 1028 C LYS A 815 -9.338 -23.700 -0.062 1.00 0.00 C ATOM 1029 O LYS A 815 -10.514 -23.802 0.295 1.00 0.00 O ATOM 1030 CB LYS A 815 -9.318 -23.649 -2.625 1.00 0.00 C ATOM 1031 CG LYS A 815 -8.890 -25.126 -2.735 1.00 0.00 C ATOM 1032 CD LYS A 815 -7.371 -25.370 -2.773 1.00 0.00 C ATOM 1033 CE LYS A 815 -7.043 -26.867 -2.922 1.00 0.00 C ATOM 1034 NZ LYS A 815 -7.401 -27.406 -4.262 1.00 0.00 N ATOM 0 H LYS A 815 -6.927 -23.139 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 815 -9.574 -21.994 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 815 -10.399 -23.603 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 815 -8.873 -23.108 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 815 -9.308 -25.672 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 815 -9.332 -25.549 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 815 -6.933 -24.816 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 815 -6.917 -24.986 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 815 -5.978 -27.020 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 815 -7.576 -27.429 -2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 -7.067 -28.388 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 -8.434 -27.381 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 -6.953 -26.827 -5.000 1.00 0.00 H new ATOM 1048 N LYS A 816 -8.346 -24.289 0.618 1.00 0.00 N ATOM 1049 CA LYS A 816 -8.530 -25.180 1.776 1.00 0.00 C ATOM 1050 C LYS A 816 -8.804 -24.421 3.089 1.00 0.00 C ATOM 1051 O LYS A 816 -8.303 -23.318 3.289 1.00 0.00 O ATOM 1052 CB LYS A 816 -7.336 -26.163 1.850 1.00 0.00 C ATOM 1053 CG LYS A 816 -5.938 -25.545 2.063 1.00 0.00 C ATOM 1054 CD LYS A 816 -5.522 -25.357 3.533 1.00 0.00 C ATOM 1055 CE LYS A 816 -5.284 -26.694 4.248 1.00 0.00 C ATOM 1056 NZ LYS A 816 -5.134 -26.498 5.710 1.00 0.00 N ATOM 0 H LYS A 816 -7.365 -24.157 0.373 1.00 0.00 H new ATOM 0 HA LYS A 816 -9.438 -25.765 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -7.524 -26.865 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -7.315 -26.742 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.200 -26.178 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.908 -24.575 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.613 -24.757 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -6.297 -24.799 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -6.118 -27.368 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -4.389 -27.170 3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -4.957 -27.415 6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -4.334 -25.859 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -6.005 -26.081 6.096 1.00 0.00 H new ATOM 1070 N HIS A 817 -9.588 -24.998 3.996 1.00 0.00 N ATOM 1071 CA HIS A 817 -9.817 -24.449 5.343 1.00 0.00 C ATOM 1072 C HIS A 817 -8.658 -24.797 6.307 1.00 0.00 C ATOM 1073 O HIS A 817 -7.842 -25.681 6.020 1.00 0.00 O ATOM 1074 CB HIS A 817 -11.174 -24.950 5.877 1.00 0.00 C ATOM 1075 CG HIS A 817 -12.381 -24.331 5.209 1.00 0.00 C ATOM 1076 ND1 HIS A 817 -12.543 -24.049 3.864 1.00 0.00 N ATOM 1077 CD2 HIS A 817 -13.543 -23.950 5.828 1.00 0.00 C ATOM 1078 CE1 HIS A 817 -13.769 -23.527 3.690 1.00 0.00 C ATOM 1079 NE2 HIS A 817 -14.425 -23.443 4.861 1.00 0.00 N ATOM 0 H HIS A 817 -10.090 -25.869 3.821 1.00 0.00 H new ATOM 0 HA HIS A 817 -9.846 -23.361 5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 817 -11.221 -26.032 5.753 1.00 0.00 H new ATOM 0 HB3 HIS A 817 -11.225 -24.750 6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 817 -13.746 -24.027 6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 817 -14.173 -23.217 2.738 1.00 0.00 H new ATOM 0 HE2 HIS A 817 -15.368 -23.085 5.015 1.00 0.00 H new ATOM 1087 N CYS A 818 -8.574 -24.101 7.446 1.00 0.00 N ATOM 1088 CA CYS A 818 -7.525 -24.284 8.447 1.00 0.00 C ATOM 1089 C CYS A 818 -7.516 -25.697 9.056 1.00 0.00 C ATOM 1090 O CYS A 818 -8.555 -26.282 9.368 1.00 0.00 O ATOM 1091 CB CYS A 818 -7.720 -23.205 9.513 1.00 0.00 C ATOM 1092 SG CYS A 818 -6.362 -23.231 10.727 1.00 0.00 S ATOM 0 H CYS A 818 -9.249 -23.380 7.700 1.00 0.00 H new ATOM 0 HA CYS A 818 -6.549 -24.182 7.973 1.00 0.00 H new ATOM 0 HB2 CYS A 818 -7.769 -22.225 9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 818 -8.671 -23.360 10.023 1.00 0.00 H new ATOM 0 HG CYS A 818 -5.887 -22.030 10.872 1.00 0.00 H new ATOM 1097 N SER A 819 -6.320 -26.235 9.264 1.00 0.00 N ATOM 1098 CA SER A 819 -6.099 -27.539 9.909 1.00 0.00 C ATOM 1099 C SER A 819 -6.019 -27.443 11.448 1.00 0.00 C ATOM 1100 O SER A 819 -6.052 -28.476 12.130 1.00 0.00 O ATOM 1101 CB SER A 819 -4.808 -28.165 9.354 1.00 0.00 C ATOM 1102 OG SER A 819 -4.885 -28.380 7.944 1.00 0.00 O ATOM 0 H SER A 819 -5.454 -25.773 8.986 1.00 0.00 H new ATOM 0 HA SER A 819 -6.959 -28.168 9.680 1.00 0.00 H new ATOM 0 HB2 SER A 819 -3.963 -27.513 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 819 -4.619 -29.114 9.856 1.00 0.00 H new ATOM 0 HG SER A 819 -3.983 -28.372 7.562 1.00 0.00 H new ATOM 1108 N THR A 820 -5.909 -26.223 12.002 1.00 0.00 N ATOM 1109 CA THR A 820 -5.716 -25.953 13.439 1.00 0.00 C ATOM 1110 C THR A 820 -7.011 -25.507 14.121 1.00 0.00 C ATOM 1111 O THR A 820 -7.278 -25.978 15.227 1.00 0.00 O ATOM 1112 CB THR A 820 -4.592 -24.921 13.618 1.00 0.00 C ATOM 1113 OG1 THR A 820 -3.404 -25.428 13.045 1.00 0.00 O ATOM 1114 CG2 THR A 820 -4.294 -24.595 15.081 1.00 0.00 C ATOM 0 H THR A 820 -5.953 -25.370 11.445 1.00 0.00 H new ATOM 0 HA THR A 820 -5.424 -26.881 13.929 1.00 0.00 H new ATOM 0 HB THR A 820 -4.932 -24.007 13.131 1.00 0.00 H new ATOM 0 HG1 THR A 820 -2.683 -24.773 13.154 1.00 0.00 H new ATOM 0 HG21 THR A 820 -3.491 -23.860 15.134 1.00 0.00 H new ATOM 0 HG22 THR A 820 -5.189 -24.189 15.553 1.00 0.00 H new ATOM 0 HG23 THR A 820 -3.990 -25.503 15.601 1.00 0.00 H new ATOM 1122 N CYS A 821 -7.822 -24.652 13.482 1.00 0.00 N ATOM 1123 CA CYS A 821 -9.078 -24.127 14.050 1.00 0.00 C ATOM 1124 C CYS A 821 -10.349 -24.338 13.185 1.00 0.00 C ATOM 1125 O CYS A 821 -11.468 -24.226 13.694 1.00 0.00 O ATOM 1126 CB CYS A 821 -8.873 -22.654 14.449 1.00 0.00 C ATOM 1127 SG CYS A 821 -8.741 -21.522 13.024 1.00 0.00 S ATOM 0 H CYS A 821 -7.625 -24.300 12.545 1.00 0.00 H new ATOM 0 HA CYS A 821 -9.292 -24.728 14.934 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -9.705 -22.338 15.078 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -7.969 -22.572 15.052 1.00 0.00 H new ATOM 0 HG CYS A 821 -7.923 -22.023 12.146 1.00 0.00 H new ATOM 1132 N GLY A 822 -10.192 -24.709 11.907 1.00 0.00 N ATOM 1133 CA GLY A 822 -11.256 -25.250 11.047 1.00 0.00 C ATOM 1134 C GLY A 822 -11.999 -24.249 10.157 1.00 0.00 C ATOM 1135 O GLY A 822 -12.778 -24.671 9.303 1.00 0.00 O ATOM 0 H GLY A 822 -9.294 -24.639 11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 822 -10.819 -26.015 10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 822 -11.988 -25.747 11.684 1.00 0.00 H new ATOM 1139 N LEU A 823 -11.779 -22.937 10.334 1.00 0.00 N ATOM 1140 CA LEU A 823 -12.427 -21.872 9.546 1.00 0.00 C ATOM 1141 C LEU A 823 -11.637 -21.491 8.278 1.00 0.00 C ATOM 1142 O LEU A 823 -10.653 -22.140 7.920 1.00 0.00 O ATOM 1143 CB LEU A 823 -12.782 -20.687 10.483 1.00 0.00 C ATOM 1144 CG LEU A 823 -11.650 -20.055 11.320 1.00 0.00 C ATOM 1145 CD1 LEU A 823 -10.436 -19.617 10.490 1.00 0.00 C ATOM 1146 CD2 LEU A 823 -12.211 -18.847 12.087 1.00 0.00 C ATOM 0 H LEU A 823 -11.136 -22.578 11.040 1.00 0.00 H new ATOM 0 HA LEU A 823 -13.365 -22.246 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 823 -13.223 -19.900 9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 823 -13.555 -21.027 11.172 1.00 0.00 H new ATOM 0 HG LEU A 823 -11.292 -20.827 12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 823 -9.683 -19.183 11.148 1.00 0.00 H new ATOM 0 HD12 LEU A 823 -10.015 -20.482 9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 823 -10.747 -18.875 9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 823 -11.418 -18.393 12.682 1.00 0.00 H new ATOM 0 HD22 LEU A 823 -12.598 -18.114 11.379 1.00 0.00 H new ATOM 0 HD23 LEU A 823 -13.015 -19.175 12.745 1.00 0.00 H new ATOM 1158 N PHE A 824 -12.068 -20.421 7.598 1.00 0.00 N ATOM 1159 CA PHE A 824 -11.421 -19.859 6.410 1.00 0.00 C ATOM 1160 C PHE A 824 -11.214 -18.345 6.588 1.00 0.00 C ATOM 1161 O PHE A 824 -12.125 -17.546 6.360 1.00 0.00 O ATOM 1162 CB PHE A 824 -12.276 -20.199 5.178 1.00 0.00 C ATOM 1163 CG PHE A 824 -11.636 -19.838 3.853 1.00 0.00 C ATOM 1164 CD1 PHE A 824 -10.737 -20.734 3.248 1.00 0.00 C ATOM 1165 CD2 PHE A 824 -11.949 -18.625 3.212 1.00 0.00 C ATOM 1166 CE1 PHE A 824 -10.145 -20.420 2.015 1.00 0.00 C ATOM 1167 CE2 PHE A 824 -11.343 -18.298 1.986 1.00 0.00 C ATOM 1168 CZ PHE A 824 -10.446 -19.201 1.384 1.00 0.00 C ATOM 0 H PHE A 824 -12.906 -19.907 7.871 1.00 0.00 H new ATOM 0 HA PHE A 824 -10.432 -20.294 6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 824 -12.492 -21.267 5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 824 -13.231 -19.680 5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 824 -10.501 -21.669 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 824 -12.656 -17.944 3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 824 -9.459 -21.114 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 824 -11.565 -17.356 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 824 -9.989 -18.957 0.437 1.00 0.00 H new ATOM 1178 N LYS A 825 -10.009 -17.955 7.024 1.00 0.00 N ATOM 1179 CA LYS A 825 -9.605 -16.566 7.319 1.00 0.00 C ATOM 1180 C LYS A 825 -8.142 -16.278 6.886 1.00 0.00 C ATOM 1181 O LYS A 825 -7.433 -15.482 7.514 1.00 0.00 O ATOM 1182 CB LYS A 825 -9.845 -16.240 8.814 1.00 0.00 C ATOM 1183 CG LYS A 825 -11.315 -16.163 9.268 1.00 0.00 C ATOM 1184 CD LYS A 825 -12.085 -14.983 8.653 1.00 0.00 C ATOM 1185 CE LYS A 825 -13.523 -14.971 9.196 1.00 0.00 C ATOM 1186 NZ LYS A 825 -14.306 -13.832 8.653 1.00 0.00 N ATOM 0 H LYS A 825 -9.256 -18.622 7.189 1.00 0.00 H new ATOM 0 HA LYS A 825 -10.232 -15.901 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -9.341 -16.997 9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -9.368 -15.286 9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.818 -17.093 9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.348 -16.081 10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -11.586 -14.044 8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.096 -15.069 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -14.017 -15.908 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.501 -14.911 10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -15.270 -13.857 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -13.848 -12.937 8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -14.349 -13.903 7.616 1.00 0.00 H new ATOM 1200 N TRP A 826 -7.667 -16.935 5.821 1.00 0.00 N ATOM 1201 CA TRP A 826 -6.323 -16.740 5.274 1.00 0.00 C ATOM 1202 C TRP A 826 -6.076 -15.283 4.845 1.00 0.00 C ATOM 1203 O TRP A 826 -6.897 -14.671 4.156 1.00 0.00 O ATOM 1204 CB TRP A 826 -6.089 -17.692 4.094 1.00 0.00 C ATOM 1205 CG TRP A 826 -6.090 -19.146 4.444 1.00 0.00 C ATOM 1206 CD1 TRP A 826 -6.998 -20.052 4.018 1.00 0.00 C ATOM 1207 CD2 TRP A 826 -5.150 -19.898 5.276 1.00 0.00 C ATOM 1208 NE1 TRP A 826 -6.680 -21.300 4.507 1.00 0.00 N ATOM 1209 CE2 TRP A 826 -5.564 -21.263 5.313 1.00 0.00 C ATOM 1210 CE3 TRP A 826 -3.983 -19.558 5.998 1.00 0.00 C ATOM 1211 CZ2 TRP A 826 -4.866 -22.235 6.050 1.00 0.00 C ATOM 1212 CZ3 TRP A 826 -3.280 -20.523 6.743 1.00 0.00 C ATOM 1213 CH2 TRP A 826 -3.721 -21.858 6.775 1.00 0.00 C ATOM 0 H TRP A 826 -8.215 -17.626 5.309 1.00 0.00 H new ATOM 0 HA TRP A 826 -5.611 -16.967 6.068 1.00 0.00 H new ATOM 0 HB2 TRP A 826 -6.860 -17.514 3.345 1.00 0.00 H new ATOM 0 HB3 TRP A 826 -5.133 -17.446 3.632 1.00 0.00 H new ATOM 0 HD1 TRP A 826 -7.847 -19.830 3.388 1.00 0.00 H new ATOM 0 HE1 TRP A 826 -7.207 -22.148 4.298 1.00 0.00 H new ATOM 0 HE3 TRP A 826 -3.625 -18.539 5.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 826 -5.205 -23.260 6.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 826 -2.396 -20.237 7.294 1.00 0.00 H new ATOM 0 HH2 TRP A 826 -3.182 -22.592 7.355 1.00 0.00 H new ATOM 1224 N GLU A 827 -4.916 -14.756 5.228 1.00 0.00 N ATOM 1225 CA GLU A 827 -4.397 -13.452 4.826 1.00 0.00 C ATOM 1226 C GLU A 827 -3.061 -13.653 4.101 1.00 0.00 C ATOM 1227 O GLU A 827 -2.219 -14.420 4.567 1.00 0.00 O ATOM 1228 CB GLU A 827 -4.216 -12.605 6.091 1.00 0.00 C ATOM 1229 CG GLU A 827 -3.778 -11.159 5.824 1.00 0.00 C ATOM 1230 CD GLU A 827 -4.820 -10.365 5.023 1.00 0.00 C ATOM 1231 OE1 GLU A 827 -5.725 -9.746 5.634 1.00 0.00 O ATOM 1232 OE2 GLU A 827 -4.741 -10.358 3.773 1.00 0.00 O ATOM 0 H GLU A 827 -4.283 -15.250 5.857 1.00 0.00 H new ATOM 0 HA GLU A 827 -5.082 -12.942 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 827 -5.156 -12.592 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 827 -3.476 -13.084 6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 827 -3.596 -10.657 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 827 -2.833 -11.164 5.280 1.00 0.00 H new ATOM 1239 N ARG A 828 -2.849 -12.959 2.979 1.00 0.00 N ATOM 1240 CA ARG A 828 -1.579 -12.994 2.247 1.00 0.00 C ATOM 1241 C ARG A 828 -0.493 -12.238 3.032 1.00 0.00 C ATOM 1242 O ARG A 828 -0.717 -11.110 3.479 1.00 0.00 O ATOM 1243 CB ARG A 828 -1.786 -12.439 0.831 1.00 0.00 C ATOM 1244 CG ARG A 828 -0.552 -12.620 -0.068 1.00 0.00 C ATOM 1245 CD ARG A 828 -0.896 -12.204 -1.502 1.00 0.00 C ATOM 1246 NE ARG A 828 0.311 -12.093 -2.350 1.00 0.00 N ATOM 1247 CZ ARG A 828 0.375 -11.463 -3.519 1.00 0.00 C ATOM 1248 NH1 ARG A 828 -0.690 -10.929 -4.083 1.00 0.00 N ATOM 1249 NH2 ARG A 828 1.525 -11.370 -4.137 1.00 0.00 N ATOM 0 H ARG A 828 -3.553 -12.357 2.552 1.00 0.00 H new ATOM 0 HA ARG A 828 -1.233 -14.023 2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 828 -2.640 -12.937 0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 828 -2.031 -11.379 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 828 0.276 -12.018 0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 828 -0.225 -13.659 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 828 -1.579 -12.933 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 828 -1.418 -11.247 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 828 1.164 -12.536 -2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 828 -1.597 -10.992 -3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 828 -0.607 -10.452 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 828 2.362 -11.779 -3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 828 1.584 -10.889 -5.034 1.00 0.00 H new ATOM 1263 N VAL A 829 0.669 -12.861 3.196 1.00 0.00 N ATOM 1264 CA VAL A 829 1.830 -12.352 3.958 1.00 0.00 C ATOM 1265 C VAL A 829 3.125 -12.509 3.155 1.00 0.00 C ATOM 1266 O VAL A 829 3.147 -13.171 2.118 1.00 0.00 O ATOM 1267 CB VAL A 829 1.961 -13.011 5.356 1.00 0.00 C ATOM 1268 CG1 VAL A 829 0.773 -12.667 6.269 1.00 0.00 C ATOM 1269 CG2 VAL A 829 2.147 -14.537 5.295 1.00 0.00 C ATOM 0 H VAL A 829 0.847 -13.778 2.787 1.00 0.00 H new ATOM 0 HA VAL A 829 1.653 -11.290 4.126 1.00 0.00 H new ATOM 0 HB VAL A 829 2.870 -12.588 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 829 0.907 -13.149 7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 829 0.720 -11.587 6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 829 -0.151 -13.020 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 829 2.232 -14.934 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 829 1.288 -14.989 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 829 3.053 -14.771 4.736 1.00 0.00 H new ATOM 1279 N GLY A 830 4.215 -11.899 3.633 1.00 0.00 N ATOM 1280 CA GLY A 830 5.556 -12.015 3.049 1.00 0.00 C ATOM 1281 C GLY A 830 6.495 -12.921 3.841 1.00 0.00 C ATOM 1282 O GLY A 830 6.284 -13.178 5.030 1.00 0.00 O ATOM 0 H GLY A 830 4.189 -11.297 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 830 5.468 -12.398 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 830 5.999 -11.021 2.978 1.00 0.00 H new