USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 438 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 677 CYS SG : rot 177:sc= 1.34 USER MOD Set 1.2: A 680 CYS SG : rot -68:sc= -3.62! USER MOD Set 1.3: A 703 CYS SG : rot -118:sc= -0.0641 USER MOD Set 1.4: A 706 CYS SG : rot 90:sc= 0.284 USER MOD Set 2.1: A 695 ASN : amide:sc= -1.09 K(o=-0.1,f=-5.5!) USER MOD Set 2.2: A 699 LYS NZ :NH3+ -167:sc= 0.983 (180deg=0) USER MOD Set 3.1: A 661 CYS SG : rot -118:sc= -1.44! USER MOD Set 3.2: A 663 CYS SG : rot 180:sc= 0.245 USER MOD Set 3.3: A 685 HIS : no HE2:sc= -2.66 X(o=-5.8,f=-6!) USER MOD Set 3.4: A 688 CYS SG : rot 59:sc= -1.99! USER MOD Single : A 668 GLN : amide:sc= -0.539 K(o=-0.54,f=-3) USER MOD Single : A 672 LYS NZ :NH3+ -168:sc=-0.00117 (180deg=-0.127) USER MOD Single : A 676 GLN : amide:sc= -1.89 K(o=-1.9,f=-4!) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 681 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 684 GLN : amide:sc= -4.45! C(o=-4.4!,f=-3.1!) USER MOD Single : A 687 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0269) USER MOD Single : A 690 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 691 TYR OH : rot -108:sc= 0.507 USER MOD Single : A 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0864) USER MOD Single : A 702 TYR OH : rot 180:sc= 0 USER MOD Single : A 705 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 710 MET CE :methyl 180:sc= -0.594 (180deg=-0.594) USER MOD ----------------------------------------------------------------- ATOM 93 N ARG A 658 -6.926 -6.938 -10.667 1.00 0.00 N ATOM 94 CA ARG A 658 -8.284 -7.141 -11.193 1.00 0.00 C ATOM 95 C ARG A 658 -8.232 -7.652 -12.642 1.00 0.00 C ATOM 96 O ARG A 658 -7.905 -6.893 -13.562 1.00 0.00 O ATOM 97 CB ARG A 658 -9.080 -5.809 -11.108 1.00 0.00 C ATOM 98 CG ARG A 658 -9.201 -5.258 -9.679 1.00 0.00 C ATOM 99 CD ARG A 658 -9.966 -6.203 -8.744 1.00 0.00 C ATOM 100 NE ARG A 658 -11.362 -6.416 -9.176 1.00 0.00 N ATOM 101 CZ ARG A 658 -12.322 -6.987 -8.437 1.00 0.00 C ATOM 102 NH1 ARG A 658 -12.079 -7.425 -7.208 1.00 0.00 N ATOM 103 NH2 ARG A 658 -13.536 -7.107 -8.933 1.00 0.00 N ATOM 0 HA ARG A 658 -8.790 -7.895 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -8.593 -5.063 -11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -10.079 -5.965 -11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -8.204 -5.083 -9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -9.707 -4.293 -9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -9.451 -7.163 -8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -9.960 -5.793 -7.734 1.00 0.00 H new ATOM 0 HE ARG A 658 -11.616 -6.103 -10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -11.146 -7.330 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -12.826 -7.857 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -13.739 -6.766 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -14.273 -7.541 -8.377 1.00 0.00 H new ATOM 117 N PHE A 659 -8.533 -8.948 -12.828 1.00 0.00 N ATOM 118 CA PHE A 659 -8.601 -9.588 -14.156 1.00 0.00 C ATOM 119 C PHE A 659 -9.899 -10.414 -14.273 1.00 0.00 C ATOM 120 O PHE A 659 -9.999 -11.525 -13.748 1.00 0.00 O ATOM 121 CB PHE A 659 -7.311 -10.428 -14.462 1.00 0.00 C ATOM 122 CG PHE A 659 -6.691 -11.171 -13.265 1.00 0.00 C ATOM 123 CD1 PHE A 659 -7.164 -12.415 -12.862 1.00 0.00 C ATOM 124 CD2 PHE A 659 -5.627 -10.614 -12.552 1.00 0.00 C ATOM 125 CE1 PHE A 659 -6.603 -13.082 -11.792 1.00 0.00 C ATOM 126 CE2 PHE A 659 -5.067 -11.281 -11.481 1.00 0.00 C ATOM 127 CZ PHE A 659 -5.555 -12.514 -11.100 1.00 0.00 C ATOM 0 H PHE A 659 -8.737 -9.586 -12.059 1.00 0.00 H new ATOM 0 HA PHE A 659 -8.634 -8.813 -14.922 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.552 -11.160 -15.233 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.557 -9.761 -14.880 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -7.986 -12.868 -13.397 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -5.238 -9.649 -12.842 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -6.985 -14.048 -11.497 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -4.245 -10.837 -10.940 1.00 0.00 H new ATOM 0 HZ PHE A 659 -5.116 -13.033 -10.261 1.00 0.00 H new ATOM 137 N GLU A 660 -10.905 -9.801 -14.920 1.00 0.00 N ATOM 138 CA GLU A 660 -12.210 -10.416 -15.216 1.00 0.00 C ATOM 139 C GLU A 660 -12.842 -9.684 -16.418 1.00 0.00 C ATOM 140 O GLU A 660 -12.487 -8.528 -16.707 1.00 0.00 O ATOM 141 CB GLU A 660 -13.161 -10.339 -13.978 1.00 0.00 C ATOM 142 CG GLU A 660 -14.547 -11.002 -14.183 1.00 0.00 C ATOM 143 CD GLU A 660 -15.536 -10.753 -13.036 1.00 0.00 C ATOM 144 OE1 GLU A 660 -16.088 -9.633 -12.953 1.00 0.00 O ATOM 145 OE2 GLU A 660 -15.760 -11.662 -12.206 1.00 0.00 O ATOM 0 H GLU A 660 -10.831 -8.842 -15.259 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.062 -11.469 -15.455 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -12.669 -10.813 -13.129 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -13.310 -9.291 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -14.982 -10.630 -15.111 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -14.410 -12.077 -14.303 1.00 0.00 H new ATOM 152 N CYS A 661 -13.757 -10.373 -17.137 1.00 0.00 N ATOM 153 CA CYS A 661 -14.509 -9.767 -18.243 1.00 0.00 C ATOM 154 C CYS A 661 -15.456 -8.676 -17.718 1.00 0.00 C ATOM 155 O CYS A 661 -16.056 -8.842 -16.653 1.00 0.00 O ATOM 156 CB CYS A 661 -15.304 -10.811 -19.041 1.00 0.00 C ATOM 157 SG CYS A 661 -15.955 -10.119 -20.594 1.00 0.00 S ATOM 0 H CYS A 661 -13.988 -11.351 -16.965 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.780 -9.318 -18.918 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.663 -11.664 -19.263 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -16.130 -11.182 -18.434 1.00 0.00 H new ATOM 0 HG CYS A 661 -17.254 -10.162 -20.577 1.00 0.00 H new ATOM 162 N ILE A 662 -15.617 -7.591 -18.503 1.00 0.00 N ATOM 163 CA ILE A 662 -16.341 -6.371 -18.068 1.00 0.00 C ATOM 164 C ILE A 662 -17.877 -6.591 -17.888 1.00 0.00 C ATOM 165 O ILE A 662 -18.578 -5.691 -17.419 1.00 0.00 O ATOM 166 CB ILE A 662 -16.076 -5.167 -19.056 1.00 0.00 C ATOM 167 CG1 ILE A 662 -16.619 -5.481 -20.485 1.00 0.00 C ATOM 168 CG2 ILE A 662 -14.562 -4.825 -19.113 1.00 0.00 C ATOM 169 CD1 ILE A 662 -16.667 -4.302 -21.428 1.00 0.00 C ATOM 0 H ILE A 662 -15.252 -7.532 -19.453 1.00 0.00 H new ATOM 0 HA ILE A 662 -15.940 -6.125 -17.085 1.00 0.00 H new ATOM 0 HB ILE A 662 -16.613 -4.299 -18.674 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -15.997 -6.257 -20.930 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -17.624 -5.893 -20.392 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -14.402 -3.993 -19.799 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -14.214 -4.547 -18.118 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -14.005 -5.695 -19.462 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -17.058 -4.624 -22.393 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -17.315 -3.530 -21.013 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -15.662 -3.900 -21.560 1.00 0.00 H new ATOM 181 N CYS A 663 -18.401 -7.776 -18.287 1.00 0.00 N ATOM 182 CA CYS A 663 -19.818 -8.159 -18.033 1.00 0.00 C ATOM 183 C CYS A 663 -19.938 -8.918 -16.709 1.00 0.00 C ATOM 184 O CYS A 663 -20.949 -8.805 -16.008 1.00 0.00 O ATOM 185 CB CYS A 663 -20.413 -9.006 -19.199 1.00 0.00 C ATOM 186 SG CYS A 663 -19.627 -10.637 -19.506 1.00 0.00 S ATOM 0 H CYS A 663 -17.865 -8.486 -18.787 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.397 -7.238 -17.970 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.472 -9.169 -18.997 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -20.350 -8.418 -20.115 1.00 0.00 H new ATOM 0 HG CYS A 663 -20.224 -11.227 -20.499 1.00 0.00 H new ATOM 191 N GLY A 664 -18.879 -9.673 -16.377 1.00 0.00 N ATOM 192 CA GLY A 664 -18.829 -10.494 -15.157 1.00 0.00 C ATOM 193 C GLY A 664 -19.868 -11.619 -15.102 1.00 0.00 C ATOM 194 O GLY A 664 -20.178 -12.125 -14.018 1.00 0.00 O ATOM 0 H GLY A 664 -18.034 -9.732 -16.946 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -17.834 -10.931 -15.070 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -18.969 -9.845 -14.292 1.00 0.00 H new ATOM 198 N GLU A 665 -20.402 -12.016 -16.276 1.00 0.00 N ATOM 199 CA GLU A 665 -21.415 -13.085 -16.377 1.00 0.00 C ATOM 200 C GLU A 665 -20.718 -14.456 -16.297 1.00 0.00 C ATOM 201 O GLU A 665 -20.876 -15.197 -15.325 1.00 0.00 O ATOM 202 CB GLU A 665 -22.217 -12.949 -17.703 1.00 0.00 C ATOM 203 CG GLU A 665 -22.880 -11.574 -17.925 1.00 0.00 C ATOM 204 CD GLU A 665 -23.916 -11.194 -16.848 1.00 0.00 C ATOM 205 OE1 GLU A 665 -25.024 -11.775 -16.852 1.00 0.00 O ATOM 206 OE2 GLU A 665 -23.636 -10.313 -16.005 1.00 0.00 O ATOM 0 H GLU A 665 -20.145 -11.607 -17.174 1.00 0.00 H new ATOM 0 HA GLU A 665 -22.119 -12.996 -15.550 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -21.546 -13.151 -18.538 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -22.991 -13.716 -17.722 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -22.104 -10.809 -17.954 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -23.367 -11.571 -18.900 1.00 0.00 H new ATOM 213 N LEU A 666 -19.928 -14.757 -17.343 1.00 0.00 N ATOM 214 CA LEU A 666 -19.080 -15.964 -17.443 1.00 0.00 C ATOM 215 C LEU A 666 -17.711 -15.569 -18.015 1.00 0.00 C ATOM 216 O LEU A 666 -17.432 -14.369 -18.175 1.00 0.00 O ATOM 217 CB LEU A 666 -19.744 -17.035 -18.364 1.00 0.00 C ATOM 218 CG LEU A 666 -21.039 -17.718 -17.829 1.00 0.00 C ATOM 219 CD1 LEU A 666 -21.568 -18.759 -18.836 1.00 0.00 C ATOM 220 CD2 LEU A 666 -20.806 -18.357 -16.438 1.00 0.00 C ATOM 0 H LEU A 666 -19.858 -14.155 -18.163 1.00 0.00 H new ATOM 0 HA LEU A 666 -18.961 -16.394 -16.449 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -19.978 -16.564 -19.319 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -19.008 -17.813 -18.565 1.00 0.00 H new ATOM 0 HG LEU A 666 -21.798 -16.945 -17.712 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -22.472 -19.222 -18.440 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -21.796 -18.267 -19.782 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -20.810 -19.525 -18.999 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -21.728 -18.825 -16.093 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -20.022 -19.111 -16.511 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -20.504 -17.586 -15.729 1.00 0.00 H new ATOM 232 N ASP A 667 -16.860 -16.588 -18.292 1.00 0.00 N ATOM 233 CA ASP A 667 -15.663 -16.428 -19.146 1.00 0.00 C ATOM 234 C ASP A 667 -15.079 -17.814 -19.473 1.00 0.00 C ATOM 235 O ASP A 667 -13.959 -18.138 -19.094 1.00 0.00 O ATOM 236 CB ASP A 667 -14.596 -15.464 -18.504 1.00 0.00 C ATOM 237 CG ASP A 667 -13.862 -14.592 -19.549 1.00 0.00 C ATOM 238 OD1 ASP A 667 -14.547 -13.835 -20.270 1.00 0.00 O ATOM 239 OD2 ASP A 667 -12.617 -14.665 -19.663 1.00 0.00 O ATOM 0 H ASP A 667 -16.985 -17.534 -17.932 1.00 0.00 H new ATOM 0 HA ASP A 667 -15.962 -15.949 -20.079 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -15.090 -14.815 -17.780 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -13.864 -16.056 -17.954 1.00 0.00 H new ATOM 244 N GLN A 668 -15.903 -18.661 -20.140 1.00 0.00 N ATOM 245 CA GLN A 668 -15.491 -20.009 -20.633 1.00 0.00 C ATOM 246 C GLN A 668 -15.832 -20.126 -22.128 1.00 0.00 C ATOM 247 O GLN A 668 -16.928 -19.722 -22.534 1.00 0.00 O ATOM 248 CB GLN A 668 -16.201 -21.177 -19.873 1.00 0.00 C ATOM 249 CG GLN A 668 -15.968 -21.235 -18.342 1.00 0.00 C ATOM 250 CD GLN A 668 -16.741 -20.188 -17.531 1.00 0.00 C ATOM 251 OE1 GLN A 668 -17.827 -19.754 -17.917 1.00 0.00 O ATOM 252 NE2 GLN A 668 -16.186 -19.768 -16.405 1.00 0.00 N ATOM 0 H GLN A 668 -16.874 -18.432 -20.354 1.00 0.00 H new ATOM 0 HA GLN A 668 -14.419 -20.099 -20.457 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -17.273 -21.103 -20.054 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -15.869 -22.120 -20.307 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -16.244 -22.227 -17.984 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -14.903 -21.111 -18.146 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -15.285 -20.144 -16.109 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -16.659 -19.068 -15.833 1.00 0.00 H new ATOM 261 N ILE A 669 -14.922 -20.751 -22.915 1.00 0.00 N ATOM 262 CA ILE A 669 -15.042 -20.851 -24.402 1.00 0.00 C ATOM 263 C ILE A 669 -16.263 -21.708 -24.802 1.00 0.00 C ATOM 264 O ILE A 669 -16.850 -21.498 -25.868 1.00 0.00 O ATOM 265 CB ILE A 669 -13.729 -21.451 -25.057 1.00 0.00 C ATOM 266 CG1 ILE A 669 -12.477 -20.594 -24.688 1.00 0.00 C ATOM 267 CG2 ILE A 669 -13.853 -21.586 -26.601 1.00 0.00 C ATOM 268 CD1 ILE A 669 -11.159 -21.134 -25.209 1.00 0.00 C ATOM 0 H ILE A 669 -14.085 -21.200 -22.544 1.00 0.00 H new ATOM 0 HA ILE A 669 -15.180 -19.838 -24.779 1.00 0.00 H new ATOM 0 HB ILE A 669 -13.602 -22.453 -24.647 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -12.618 -19.585 -25.075 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -12.417 -20.513 -23.603 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -12.930 -22.001 -27.005 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -14.685 -22.248 -26.843 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -14.031 -20.604 -27.039 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -10.348 -20.473 -24.903 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -10.988 -22.130 -24.802 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -11.192 -21.187 -26.297 1.00 0.00 H new ATOM 280 N ASP A 670 -16.629 -22.654 -23.918 1.00 0.00 N ATOM 281 CA ASP A 670 -17.752 -23.597 -24.120 1.00 0.00 C ATOM 282 C ASP A 670 -19.054 -22.852 -24.481 1.00 0.00 C ATOM 283 O ASP A 670 -19.700 -23.145 -25.493 1.00 0.00 O ATOM 284 CB ASP A 670 -17.968 -24.442 -22.834 1.00 0.00 C ATOM 285 CG ASP A 670 -16.693 -25.168 -22.378 1.00 0.00 C ATOM 286 OD1 ASP A 670 -16.431 -26.296 -22.849 1.00 0.00 O ATOM 287 OD2 ASP A 670 -15.923 -24.589 -21.575 1.00 0.00 O ATOM 0 H ASP A 670 -16.148 -22.789 -23.029 1.00 0.00 H new ATOM 0 HA ASP A 670 -17.497 -24.253 -24.952 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -18.317 -23.792 -22.032 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -18.754 -25.176 -23.014 1.00 0.00 H new ATOM 292 N ARG A 671 -19.399 -21.863 -23.647 1.00 0.00 N ATOM 293 CA ARG A 671 -20.600 -21.033 -23.827 1.00 0.00 C ATOM 294 C ARG A 671 -20.314 -19.860 -24.774 1.00 0.00 C ATOM 295 O ARG A 671 -20.992 -19.680 -25.792 1.00 0.00 O ATOM 296 CB ARG A 671 -21.086 -20.507 -22.447 1.00 0.00 C ATOM 297 CG ARG A 671 -21.633 -21.602 -21.503 1.00 0.00 C ATOM 298 CD ARG A 671 -22.905 -22.267 -22.059 1.00 0.00 C ATOM 299 NE ARG A 671 -23.456 -23.287 -21.143 1.00 0.00 N ATOM 300 CZ ARG A 671 -24.660 -23.874 -21.275 1.00 0.00 C ATOM 301 NH1 ARG A 671 -25.463 -23.569 -22.294 1.00 0.00 N ATOM 302 NH2 ARG A 671 -25.046 -24.791 -20.398 1.00 0.00 N ATOM 0 H ARG A 671 -18.851 -21.614 -22.824 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.384 -21.645 -24.273 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -20.258 -19.999 -21.953 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -21.865 -19.762 -22.610 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -20.867 -22.361 -21.347 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -21.850 -21.164 -20.529 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -23.660 -21.503 -22.243 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -22.679 -22.730 -23.020 1.00 0.00 H new ATOM 0 HE ARG A 671 -22.880 -23.568 -20.350 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -25.168 -22.882 -22.988 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -26.373 -24.023 -22.380 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -24.431 -25.049 -19.626 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -25.958 -25.238 -20.495 1.00 0.00 H new ATOM 316 N LYS A 672 -19.289 -19.067 -24.423 1.00 0.00 N ATOM 317 CA LYS A 672 -18.960 -17.812 -25.120 1.00 0.00 C ATOM 318 C LYS A 672 -17.453 -17.755 -25.438 1.00 0.00 C ATOM 319 O LYS A 672 -16.645 -17.966 -24.537 1.00 0.00 O ATOM 320 CB LYS A 672 -19.337 -16.587 -24.238 1.00 0.00 C ATOM 321 CG LYS A 672 -20.830 -16.502 -23.826 1.00 0.00 C ATOM 322 CD LYS A 672 -21.784 -16.224 -25.019 1.00 0.00 C ATOM 323 CE LYS A 672 -21.751 -14.758 -25.487 1.00 0.00 C ATOM 324 NZ LYS A 672 -22.329 -13.842 -24.469 1.00 0.00 N ATOM 0 H LYS A 672 -18.663 -19.278 -23.646 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.530 -17.781 -26.048 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -18.728 -16.610 -23.334 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -19.073 -15.677 -24.777 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -21.121 -17.437 -23.348 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -20.950 -15.713 -23.083 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -21.513 -16.872 -25.853 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -22.802 -16.485 -24.731 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -20.722 -14.466 -25.696 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -22.306 -14.661 -26.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -22.478 -12.903 -24.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -23.239 -14.221 -24.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -21.675 -13.760 -23.664 1.00 0.00 H new ATOM 338 N PRO A 673 -17.052 -17.446 -26.716 1.00 0.00 N ATOM 339 CA PRO A 673 -15.642 -17.162 -27.078 1.00 0.00 C ATOM 340 C PRO A 673 -14.996 -16.123 -26.126 1.00 0.00 C ATOM 341 O PRO A 673 -15.602 -15.066 -25.881 1.00 0.00 O ATOM 342 CB PRO A 673 -15.766 -16.588 -28.513 1.00 0.00 C ATOM 343 CG PRO A 673 -17.002 -17.219 -29.074 1.00 0.00 C ATOM 344 CD PRO A 673 -17.946 -17.381 -27.902 1.00 0.00 C ATOM 0 HA PRO A 673 -15.005 -18.043 -27.008 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -15.849 -15.501 -28.498 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -14.890 -16.833 -29.114 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -17.444 -16.593 -29.849 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -16.777 -18.182 -29.532 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.640 -16.543 -27.832 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.547 -18.285 -27.997 1.00 0.00 H new ATOM 352 N ARG A 674 -13.789 -16.423 -25.585 1.00 0.00 N ATOM 353 CA ARG A 674 -13.132 -15.563 -24.572 1.00 0.00 C ATOM 354 C ARG A 674 -11.601 -15.457 -24.779 1.00 0.00 C ATOM 355 O ARG A 674 -10.893 -16.459 -24.879 1.00 0.00 O ATOM 356 CB ARG A 674 -13.537 -16.008 -23.130 1.00 0.00 C ATOM 357 CG ARG A 674 -13.397 -17.515 -22.796 1.00 0.00 C ATOM 358 CD ARG A 674 -12.041 -17.912 -22.195 1.00 0.00 C ATOM 359 NE ARG A 674 -11.807 -17.244 -20.899 1.00 0.00 N ATOM 360 CZ ARG A 674 -11.029 -17.696 -19.903 1.00 0.00 C ATOM 361 NH1 ARG A 674 -10.429 -18.872 -19.978 1.00 0.00 N ATOM 362 NH2 ARG A 674 -10.874 -16.951 -18.823 1.00 0.00 N ATOM 0 H ARG A 674 -13.252 -17.254 -25.834 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.498 -14.545 -24.707 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -12.932 -15.445 -22.419 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -14.575 -15.719 -22.965 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -14.185 -17.794 -22.097 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -13.559 -18.092 -23.706 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -12.004 -18.993 -22.060 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -11.243 -17.650 -22.890 1.00 0.00 H new ATOM 0 HE ARG A 674 -12.282 -16.354 -20.746 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -10.553 -19.456 -20.805 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -9.842 -19.195 -19.209 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -11.342 -16.047 -18.755 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -10.286 -17.280 -18.057 1.00 0.00 H new ATOM 376 N VAL A 675 -11.128 -14.191 -24.843 1.00 0.00 N ATOM 377 CA VAL A 675 -9.742 -13.806 -25.154 1.00 0.00 C ATOM 378 C VAL A 675 -8.925 -13.497 -23.880 1.00 0.00 C ATOM 379 O VAL A 675 -9.319 -12.683 -23.028 1.00 0.00 O ATOM 380 CB VAL A 675 -9.726 -12.562 -26.127 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.341 -12.940 -27.487 1.00 0.00 C ATOM 382 CG2 VAL A 675 -10.452 -11.320 -25.534 1.00 0.00 C ATOM 0 H VAL A 675 -11.728 -13.384 -24.672 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.270 -14.657 -25.646 1.00 0.00 H new ATOM 0 HB VAL A 675 -8.681 -12.282 -26.263 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.324 -12.073 -28.148 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -9.764 -13.749 -27.935 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.371 -13.265 -27.343 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -10.408 -10.498 -26.248 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -11.494 -11.570 -25.332 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -9.964 -11.022 -24.606 1.00 0.00 H new ATOM 392 N GLN A 676 -7.788 -14.189 -23.753 1.00 0.00 N ATOM 393 CA GLN A 676 -6.845 -14.016 -22.637 1.00 0.00 C ATOM 394 C GLN A 676 -5.715 -13.083 -23.087 1.00 0.00 C ATOM 395 O GLN A 676 -4.767 -13.518 -23.748 1.00 0.00 O ATOM 396 CB GLN A 676 -6.308 -15.405 -22.162 1.00 0.00 C ATOM 397 CG GLN A 676 -7.285 -16.216 -21.282 1.00 0.00 C ATOM 398 CD GLN A 676 -8.661 -16.392 -21.911 1.00 0.00 C ATOM 399 OE1 GLN A 676 -8.884 -17.320 -22.680 1.00 0.00 O ATOM 400 NE2 GLN A 676 -9.600 -15.503 -21.579 1.00 0.00 N ATOM 0 H GLN A 676 -7.491 -14.893 -24.428 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.347 -13.562 -21.783 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -6.054 -15.999 -23.040 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -5.384 -15.249 -21.605 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -6.855 -17.198 -21.085 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -7.395 -15.717 -20.319 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -9.378 -14.743 -20.936 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -10.539 -15.584 -21.969 1.00 0.00 H new ATOM 409 N CYS A 677 -5.873 -11.787 -22.760 1.00 0.00 N ATOM 410 CA CYS A 677 -4.915 -10.715 -23.101 1.00 0.00 C ATOM 411 C CYS A 677 -3.545 -10.984 -22.458 1.00 0.00 C ATOM 412 O CYS A 677 -3.273 -10.527 -21.348 1.00 0.00 O ATOM 413 CB CYS A 677 -5.476 -9.360 -22.634 1.00 0.00 C ATOM 414 SG CYS A 677 -4.460 -7.898 -23.047 1.00 0.00 S ATOM 0 H CYS A 677 -6.684 -11.448 -22.242 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.777 -10.692 -24.182 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -6.466 -9.227 -23.071 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -5.607 -9.395 -21.552 1.00 0.00 H new ATOM 0 HG CYS A 677 -5.068 -6.820 -22.649 1.00 0.00 H new ATOM 419 N LEU A 678 -2.722 -11.749 -23.190 1.00 0.00 N ATOM 420 CA LEU A 678 -1.438 -12.325 -22.724 1.00 0.00 C ATOM 421 C LEU A 678 -0.440 -11.276 -22.190 1.00 0.00 C ATOM 422 O LEU A 678 0.321 -11.550 -21.253 1.00 0.00 O ATOM 423 CB LEU A 678 -0.839 -13.185 -23.885 1.00 0.00 C ATOM 424 CG LEU A 678 -0.778 -12.499 -25.312 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.589 -11.837 -25.591 1.00 0.00 C ATOM 426 CD2 LEU A 678 -1.174 -13.481 -26.447 1.00 0.00 C ATOM 0 H LEU A 678 -2.933 -11.996 -24.157 1.00 0.00 H new ATOM 0 HA LEU A 678 -1.637 -12.957 -21.858 1.00 0.00 H new ATOM 0 HB2 LEU A 678 0.172 -13.480 -23.605 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.426 -14.099 -23.971 1.00 0.00 H new ATOM 0 HG LEU A 678 -1.520 -11.700 -25.298 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.578 -11.382 -26.581 1.00 0.00 H new ATOM 0 HD12 LEU A 678 0.781 -11.070 -24.841 1.00 0.00 H new ATOM 0 HD13 LEU A 678 1.374 -12.592 -25.548 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -1.118 -12.969 -27.407 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.490 -14.330 -26.448 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -2.192 -13.835 -26.283 1.00 0.00 H new ATOM 438 N LYS A 679 -0.501 -10.065 -22.758 1.00 0.00 N ATOM 439 CA LYS A 679 0.439 -8.979 -22.458 1.00 0.00 C ATOM 440 C LYS A 679 0.171 -8.328 -21.060 1.00 0.00 C ATOM 441 O LYS A 679 1.091 -7.758 -20.464 1.00 0.00 O ATOM 442 CB LYS A 679 0.390 -7.942 -23.616 1.00 0.00 C ATOM 443 CG LYS A 679 1.393 -6.772 -23.493 1.00 0.00 C ATOM 444 CD LYS A 679 1.243 -5.718 -24.612 1.00 0.00 C ATOM 445 CE LYS A 679 1.525 -6.273 -26.019 1.00 0.00 C ATOM 446 NZ LYS A 679 1.579 -5.196 -27.037 1.00 0.00 N ATOM 0 H LYS A 679 -1.211 -9.810 -23.445 1.00 0.00 H new ATOM 0 HA LYS A 679 1.447 -9.388 -22.391 1.00 0.00 H new ATOM 0 HB2 LYS A 679 0.576 -8.462 -24.556 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -0.618 -7.531 -23.672 1.00 0.00 H new ATOM 0 HG2 LYS A 679 1.258 -6.287 -22.526 1.00 0.00 H new ATOM 0 HG3 LYS A 679 2.408 -7.169 -23.511 1.00 0.00 H new ATOM 0 HD2 LYS A 679 0.231 -5.313 -24.586 1.00 0.00 H new ATOM 0 HD3 LYS A 679 1.923 -4.890 -24.414 1.00 0.00 H new ATOM 0 HE2 LYS A 679 2.471 -6.815 -26.013 1.00 0.00 H new ATOM 0 HE3 LYS A 679 0.749 -6.989 -26.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 1.771 -5.611 -27.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 0.668 -4.695 -27.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 2.336 -4.526 -26.794 1.00 0.00 H new ATOM 460 N CYS A 680 -1.087 -8.413 -20.527 1.00 0.00 N ATOM 461 CA CYS A 680 -1.404 -7.909 -19.141 1.00 0.00 C ATOM 462 C CYS A 680 -2.173 -8.959 -18.303 1.00 0.00 C ATOM 463 O CYS A 680 -2.620 -8.652 -17.192 1.00 0.00 O ATOM 464 CB CYS A 680 -2.186 -6.558 -19.175 1.00 0.00 C ATOM 465 SG CYS A 680 -3.985 -6.688 -19.476 1.00 0.00 S ATOM 0 H CYS A 680 -1.885 -8.815 -21.019 1.00 0.00 H new ATOM 0 HA CYS A 680 -0.445 -7.730 -18.655 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -2.032 -6.046 -18.225 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -1.751 -5.928 -19.951 1.00 0.00 H new ATOM 0 HG CYS A 680 -4.193 -7.099 -20.692 1.00 0.00 H new ATOM 470 N HIS A 681 -2.274 -10.204 -18.838 1.00 0.00 N ATOM 471 CA HIS A 681 -3.008 -11.341 -18.215 1.00 0.00 C ATOM 472 C HIS A 681 -4.442 -10.954 -17.779 1.00 0.00 C ATOM 473 O HIS A 681 -4.835 -11.132 -16.621 1.00 0.00 O ATOM 474 CB HIS A 681 -2.184 -11.960 -17.054 1.00 0.00 C ATOM 475 CG HIS A 681 -0.883 -12.579 -17.509 1.00 0.00 C ATOM 476 ND1 HIS A 681 0.347 -12.015 -17.262 1.00 0.00 N ATOM 477 CD2 HIS A 681 -0.636 -13.718 -18.204 1.00 0.00 C ATOM 478 CE1 HIS A 681 1.289 -12.775 -17.778 1.00 0.00 C ATOM 479 NE2 HIS A 681 0.721 -13.815 -18.356 1.00 0.00 N ATOM 0 H HIS A 681 -1.842 -10.451 -19.728 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.129 -12.109 -18.979 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -1.972 -11.187 -16.316 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -2.785 -12.720 -16.556 1.00 0.00 H new ATOM 0 HD2 HIS A 681 -1.373 -14.418 -18.569 1.00 0.00 H new ATOM 0 HE1 HIS A 681 2.350 -12.580 -17.735 1.00 0.00 H new ATOM 0 HE2 HIS A 681 1.212 -14.568 -18.837 1.00 0.00 H new ATOM 488 N LEU A 682 -5.216 -10.433 -18.748 1.00 0.00 N ATOM 489 CA LEU A 682 -6.595 -9.940 -18.523 1.00 0.00 C ATOM 490 C LEU A 682 -7.573 -10.895 -19.229 1.00 0.00 C ATOM 491 O LEU A 682 -7.489 -11.067 -20.455 1.00 0.00 O ATOM 492 CB LEU A 682 -6.722 -8.479 -19.077 1.00 0.00 C ATOM 493 CG LEU A 682 -7.867 -7.558 -18.516 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.281 -8.073 -18.852 1.00 0.00 C ATOM 495 CD2 LEU A 682 -7.701 -7.339 -17.004 1.00 0.00 C ATOM 0 H LEU A 682 -4.905 -10.340 -19.715 1.00 0.00 H new ATOM 0 HA LEU A 682 -6.831 -9.916 -17.459 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -5.773 -7.973 -18.898 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -6.849 -8.545 -20.158 1.00 0.00 H new ATOM 0 HG LEU A 682 -7.767 -6.598 -19.022 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.024 -7.393 -18.436 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -9.402 -8.125 -19.934 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.418 -9.066 -18.423 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -8.504 -6.699 -16.639 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -7.740 -8.300 -16.491 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -6.740 -6.863 -16.809 1.00 0.00 H new ATOM 507 N TRP A 683 -8.494 -11.501 -18.462 1.00 0.00 N ATOM 508 CA TRP A 683 -9.498 -12.439 -19.006 1.00 0.00 C ATOM 509 C TRP A 683 -10.726 -11.628 -19.473 1.00 0.00 C ATOM 510 O TRP A 683 -11.320 -10.909 -18.674 1.00 0.00 O ATOM 511 CB TRP A 683 -9.932 -13.503 -17.934 1.00 0.00 C ATOM 512 CG TRP A 683 -8.866 -13.951 -16.938 1.00 0.00 C ATOM 513 CD1 TRP A 683 -9.042 -14.110 -15.590 1.00 0.00 C ATOM 514 CD2 TRP A 683 -7.474 -14.280 -17.184 1.00 0.00 C ATOM 515 NE1 TRP A 683 -7.881 -14.527 -15.001 1.00 0.00 N ATOM 516 CE2 TRP A 683 -6.905 -14.627 -15.945 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.660 -14.322 -18.317 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -5.573 -14.997 -15.805 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -5.339 -14.689 -18.177 1.00 0.00 C ATOM 520 CH2 TRP A 683 -4.804 -15.024 -16.931 1.00 0.00 C ATOM 0 H TRP A 683 -8.566 -11.358 -17.455 1.00 0.00 H new ATOM 0 HA TRP A 683 -9.059 -12.980 -19.844 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.772 -13.096 -17.372 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -10.298 -14.385 -18.460 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -9.969 -13.931 -15.065 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -7.764 -14.731 -14.009 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -7.059 -14.071 -19.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -5.162 -15.254 -14.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -4.704 -14.718 -19.050 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.765 -15.309 -16.858 1.00 0.00 H new ATOM 531 N GLN A 684 -11.074 -11.707 -20.765 1.00 0.00 N ATOM 532 CA GLN A 684 -12.279 -11.047 -21.314 1.00 0.00 C ATOM 533 C GLN A 684 -12.928 -11.947 -22.379 1.00 0.00 C ATOM 534 O GLN A 684 -12.315 -12.904 -22.809 1.00 0.00 O ATOM 535 CB GLN A 684 -11.915 -9.638 -21.898 1.00 0.00 C ATOM 536 CG GLN A 684 -13.014 -8.553 -21.667 1.00 0.00 C ATOM 537 CD GLN A 684 -12.488 -7.312 -20.940 1.00 0.00 C ATOM 538 OE1 GLN A 684 -12.169 -6.304 -21.553 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.300 -7.419 -19.634 1.00 0.00 N ATOM 0 H GLN A 684 -10.536 -12.225 -21.459 1.00 0.00 H new ATOM 0 HA GLN A 684 -13.001 -10.894 -20.512 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -10.983 -9.298 -21.447 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.734 -9.735 -22.968 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -13.430 -8.254 -22.629 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -13.829 -8.987 -21.089 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -12.576 -8.272 -19.147 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -11.880 -6.648 -19.114 1.00 0.00 H new ATOM 548 N HIS A 685 -14.193 -11.658 -22.767 1.00 0.00 N ATOM 549 CA HIS A 685 -14.864 -12.376 -23.878 1.00 0.00 C ATOM 550 C HIS A 685 -14.498 -11.745 -25.226 1.00 0.00 C ATOM 551 O HIS A 685 -14.453 -10.519 -25.343 1.00 0.00 O ATOM 552 CB HIS A 685 -16.412 -12.389 -23.751 1.00 0.00 C ATOM 553 CG HIS A 685 -16.982 -13.312 -22.703 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.828 -12.837 -21.746 1.00 0.00 N ATOM 555 CD2 HIS A 685 -16.869 -14.652 -22.566 1.00 0.00 C ATOM 556 CE1 HIS A 685 -18.214 -13.879 -21.047 1.00 0.00 C ATOM 557 NE2 HIS A 685 -17.661 -15.011 -21.508 1.00 0.00 N ATOM 0 H HIS A 685 -14.767 -10.937 -22.330 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.510 -13.405 -23.822 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.747 -11.375 -23.535 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -16.834 -12.665 -24.718 1.00 0.00 H new ATOM 0 HD1 HIS A 685 -18.106 -11.866 -21.602 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -16.269 -15.313 -23.174 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -18.891 -13.831 -20.207 1.00 0.00 H new ATOM 565 N ALA A 686 -14.289 -12.604 -26.233 1.00 0.00 N ATOM 566 CA ALA A 686 -14.159 -12.194 -27.634 1.00 0.00 C ATOM 567 C ALA A 686 -15.452 -11.489 -28.113 1.00 0.00 C ATOM 568 O ALA A 686 -15.400 -10.451 -28.775 1.00 0.00 O ATOM 569 CB ALA A 686 -13.846 -13.418 -28.498 1.00 0.00 C ATOM 0 H ALA A 686 -14.205 -13.611 -26.095 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.339 -11.482 -27.728 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -13.749 -13.113 -29.540 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -12.912 -13.870 -28.164 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -14.654 -14.144 -28.406 1.00 0.00 H new ATOM 575 N LYS A 687 -16.613 -12.050 -27.707 1.00 0.00 N ATOM 576 CA LYS A 687 -17.948 -11.515 -28.060 1.00 0.00 C ATOM 577 C LYS A 687 -18.353 -10.304 -27.185 1.00 0.00 C ATOM 578 O LYS A 687 -19.497 -9.846 -27.250 1.00 0.00 O ATOM 579 CB LYS A 687 -19.007 -12.647 -27.955 1.00 0.00 C ATOM 580 CG LYS A 687 -18.784 -13.850 -28.911 1.00 0.00 C ATOM 581 CD LYS A 687 -18.620 -13.428 -30.394 1.00 0.00 C ATOM 582 CE LYS A 687 -18.639 -14.615 -31.375 1.00 0.00 C ATOM 583 NZ LYS A 687 -19.983 -15.246 -31.471 1.00 0.00 N ATOM 0 H LYS A 687 -16.651 -12.887 -27.125 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.899 -11.153 -29.087 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -19.021 -13.016 -26.929 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -19.991 -12.222 -28.154 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -17.896 -14.397 -28.595 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -19.628 -14.535 -28.826 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -19.420 -12.736 -30.657 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -17.680 -12.887 -30.508 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -18.329 -14.273 -32.362 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -17.912 -15.361 -31.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -19.973 -15.972 -32.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -20.226 -15.686 -30.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -20.691 -14.521 -31.704 1.00 0.00 H new ATOM 597 N CYS A 688 -17.414 -9.798 -26.370 1.00 0.00 N ATOM 598 CA CYS A 688 -17.575 -8.532 -25.623 1.00 0.00 C ATOM 599 C CYS A 688 -16.567 -7.481 -26.122 1.00 0.00 C ATOM 600 O CYS A 688 -16.612 -6.329 -25.692 1.00 0.00 O ATOM 601 CB CYS A 688 -17.382 -8.768 -24.110 1.00 0.00 C ATOM 602 SG CYS A 688 -18.677 -9.793 -23.316 1.00 0.00 S ATOM 0 H CYS A 688 -16.516 -10.254 -26.207 1.00 0.00 H new ATOM 0 HA CYS A 688 -18.585 -8.161 -25.795 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -16.415 -9.245 -23.952 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -17.346 -7.801 -23.608 1.00 0.00 H new ATOM 0 HG CYS A 688 -18.721 -10.958 -23.891 1.00 0.00 H new ATOM 607 N VAL A 689 -15.636 -7.898 -27.019 1.00 0.00 N ATOM 608 CA VAL A 689 -14.568 -7.017 -27.556 1.00 0.00 C ATOM 609 C VAL A 689 -14.621 -6.970 -29.107 1.00 0.00 C ATOM 610 O VAL A 689 -13.688 -6.461 -29.740 1.00 0.00 O ATOM 611 CB VAL A 689 -13.133 -7.478 -27.050 1.00 0.00 C ATOM 612 CG1 VAL A 689 -13.105 -7.620 -25.509 1.00 0.00 C ATOM 613 CG2 VAL A 689 -12.654 -8.787 -27.727 1.00 0.00 C ATOM 0 H VAL A 689 -15.605 -8.848 -27.388 1.00 0.00 H new ATOM 0 HA VAL A 689 -14.744 -6.010 -27.179 1.00 0.00 H new ATOM 0 HB VAL A 689 -12.435 -6.693 -27.342 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -12.112 -7.936 -25.191 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -13.344 -6.660 -25.051 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -13.839 -8.363 -25.199 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -11.669 -9.055 -27.344 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -13.359 -9.589 -27.508 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -12.596 -8.639 -28.805 1.00 0.00 H new ATOM 623 N ASN A 690 -15.738 -7.488 -29.697 1.00 0.00 N ATOM 624 CA ASN A 690 -15.957 -7.547 -31.169 1.00 0.00 C ATOM 625 C ASN A 690 -14.867 -8.411 -31.836 1.00 0.00 C ATOM 626 O ASN A 690 -13.933 -7.903 -32.469 1.00 0.00 O ATOM 627 CB ASN A 690 -16.068 -6.123 -31.811 1.00 0.00 C ATOM 628 CG ASN A 690 -17.348 -5.370 -31.402 1.00 0.00 C ATOM 629 OD1 ASN A 690 -17.402 -4.724 -30.352 1.00 0.00 O ATOM 630 ND2 ASN A 690 -18.382 -5.440 -32.234 1.00 0.00 N ATOM 0 H ASN A 690 -16.513 -7.877 -29.160 1.00 0.00 H new ATOM 0 HA ASN A 690 -16.920 -8.025 -31.349 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -15.199 -5.532 -31.521 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -16.042 -6.218 -32.897 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -19.250 -4.952 -32.012 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -18.308 -5.982 -33.095 1.00 0.00 H new ATOM 637 N TYR A 691 -15.001 -9.732 -31.628 1.00 0.00 N ATOM 638 CA TYR A 691 -13.991 -10.746 -31.987 1.00 0.00 C ATOM 639 C TYR A 691 -14.651 -12.134 -31.802 1.00 0.00 C ATOM 640 O TYR A 691 -15.710 -12.232 -31.172 1.00 0.00 O ATOM 641 CB TYR A 691 -12.749 -10.540 -31.056 1.00 0.00 C ATOM 642 CG TYR A 691 -11.428 -11.230 -31.456 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.561 -10.660 -32.398 1.00 0.00 C ATOM 644 CD2 TYR A 691 -11.019 -12.414 -30.845 1.00 0.00 C ATOM 645 CE1 TYR A 691 -9.349 -11.255 -32.708 1.00 0.00 C ATOM 646 CE2 TYR A 691 -9.816 -13.009 -31.158 1.00 0.00 C ATOM 647 CZ TYR A 691 -8.984 -12.429 -32.084 1.00 0.00 C ATOM 648 OH TYR A 691 -7.780 -13.023 -32.384 1.00 0.00 O ATOM 0 H TYR A 691 -15.833 -10.135 -31.196 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.649 -10.662 -33.018 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -12.559 -9.469 -30.983 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -13.018 -10.885 -30.058 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -10.843 -9.741 -32.891 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -11.660 -12.876 -30.109 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -8.693 -10.801 -33.436 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -9.528 -13.931 -30.675 1.00 0.00 H new ATOM 0 HH TYR A 691 -7.938 -13.833 -32.912 1.00 0.00 H new ATOM 658 N ASP A 692 -14.059 -13.208 -32.338 1.00 0.00 N ATOM 659 CA ASP A 692 -14.606 -14.587 -32.184 1.00 0.00 C ATOM 660 C ASP A 692 -13.502 -15.581 -31.779 1.00 0.00 C ATOM 661 O ASP A 692 -12.342 -15.198 -31.629 1.00 0.00 O ATOM 662 CB ASP A 692 -15.325 -15.038 -33.487 1.00 0.00 C ATOM 663 CG ASP A 692 -14.392 -15.105 -34.707 1.00 0.00 C ATOM 664 OD1 ASP A 692 -14.228 -14.085 -35.409 1.00 0.00 O ATOM 665 OD2 ASP A 692 -13.808 -16.171 -34.949 1.00 0.00 O ATOM 0 H ASP A 692 -13.199 -13.162 -32.885 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.342 -14.574 -31.380 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -15.771 -16.019 -33.326 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -16.141 -14.348 -33.700 1.00 0.00 H new ATOM 670 N GLU A 693 -13.876 -16.866 -31.589 1.00 0.00 N ATOM 671 CA GLU A 693 -12.931 -17.922 -31.162 1.00 0.00 C ATOM 672 C GLU A 693 -12.165 -18.536 -32.346 1.00 0.00 C ATOM 673 O GLU A 693 -11.025 -18.966 -32.176 1.00 0.00 O ATOM 674 CB GLU A 693 -13.653 -19.035 -30.357 1.00 0.00 C ATOM 675 CG GLU A 693 -14.847 -19.678 -31.080 1.00 0.00 C ATOM 676 CD GLU A 693 -15.506 -20.808 -30.282 1.00 0.00 C ATOM 677 OE1 GLU A 693 -16.141 -20.521 -29.246 1.00 0.00 O ATOM 678 OE2 GLU A 693 -15.377 -21.986 -30.676 1.00 0.00 O ATOM 0 H GLU A 693 -14.831 -17.198 -31.726 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.202 -17.437 -30.513 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -12.931 -19.814 -30.112 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -14.000 -18.615 -29.413 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -15.591 -18.910 -31.290 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -14.513 -20.069 -32.041 1.00 0.00 H new ATOM 685 N LYS A 694 -12.772 -18.554 -33.546 1.00 0.00 N ATOM 686 CA LYS A 694 -12.149 -19.174 -34.741 1.00 0.00 C ATOM 687 C LYS A 694 -10.848 -18.426 -35.108 1.00 0.00 C ATOM 688 O LYS A 694 -9.808 -19.050 -35.357 1.00 0.00 O ATOM 689 CB LYS A 694 -13.117 -19.219 -35.967 1.00 0.00 C ATOM 690 CG LYS A 694 -14.309 -20.212 -35.854 1.00 0.00 C ATOM 691 CD LYS A 694 -15.367 -19.810 -34.802 1.00 0.00 C ATOM 692 CE LYS A 694 -16.496 -20.850 -34.675 1.00 0.00 C ATOM 693 NZ LYS A 694 -17.448 -20.504 -33.583 1.00 0.00 N ATOM 0 H LYS A 694 -13.692 -18.148 -33.719 1.00 0.00 H new ATOM 0 HA LYS A 694 -11.916 -20.207 -34.485 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.517 -18.218 -36.127 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -12.538 -19.476 -36.854 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -14.793 -20.294 -36.827 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -13.922 -21.200 -35.606 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -14.883 -19.684 -33.834 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -15.795 -18.845 -35.072 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -17.036 -20.917 -35.620 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -16.065 -21.833 -34.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -18.193 -21.228 -33.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -16.938 -20.464 -32.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -17.879 -19.578 -33.778 1.00 0.00 H new ATOM 707 N ASN A 695 -10.912 -17.080 -35.080 1.00 0.00 N ATOM 708 CA ASN A 695 -9.742 -16.213 -35.346 1.00 0.00 C ATOM 709 C ASN A 695 -8.894 -16.004 -34.072 1.00 0.00 C ATOM 710 O ASN A 695 -7.846 -15.416 -34.138 1.00 0.00 O ATOM 711 CB ASN A 695 -10.175 -14.857 -35.999 1.00 0.00 C ATOM 712 CG ASN A 695 -10.753 -13.772 -35.067 1.00 0.00 C ATOM 713 OD1 ASN A 695 -10.703 -12.587 -35.391 1.00 0.00 O ATOM 714 ND2 ASN A 695 -11.265 -14.128 -33.907 1.00 0.00 N ATOM 0 H ASN A 695 -11.768 -16.565 -34.874 1.00 0.00 H new ATOM 0 HA ASN A 695 -9.105 -16.724 -36.068 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -9.308 -14.436 -36.508 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -10.920 -15.075 -36.765 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -11.624 -13.418 -33.269 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -11.302 -15.114 -33.647 1.00 0.00 H new ATOM 721 N LEU A 696 -9.375 -16.500 -32.916 1.00 0.00 N ATOM 722 CA LEU A 696 -8.599 -16.518 -31.647 1.00 0.00 C ATOM 723 C LEU A 696 -7.468 -17.562 -31.770 1.00 0.00 C ATOM 724 O LEU A 696 -6.342 -17.327 -31.325 1.00 0.00 O ATOM 725 CB LEU A 696 -9.579 -16.822 -30.466 1.00 0.00 C ATOM 726 CG LEU A 696 -9.076 -16.783 -28.976 1.00 0.00 C ATOM 727 CD1 LEU A 696 -10.280 -16.668 -28.013 1.00 0.00 C ATOM 728 CD2 LEU A 696 -8.231 -18.024 -28.592 1.00 0.00 C ATOM 0 H LEU A 696 -10.309 -16.900 -32.829 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.132 -15.554 -31.447 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.405 -16.115 -30.544 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -9.992 -17.816 -30.639 1.00 0.00 H new ATOM 0 HG LEU A 696 -8.432 -15.908 -28.887 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -9.922 -16.642 -26.984 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -10.832 -15.753 -28.228 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -10.936 -17.528 -28.147 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -7.913 -17.940 -27.553 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -8.831 -18.925 -28.716 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -7.354 -18.081 -29.237 1.00 0.00 H new ATOM 740 N LYS A 697 -7.790 -18.715 -32.399 1.00 0.00 N ATOM 741 CA LYS A 697 -6.811 -19.799 -32.663 1.00 0.00 C ATOM 742 C LYS A 697 -5.750 -19.397 -33.727 1.00 0.00 C ATOM 743 O LYS A 697 -4.743 -20.092 -33.889 1.00 0.00 O ATOM 744 CB LYS A 697 -7.539 -21.128 -33.083 1.00 0.00 C ATOM 745 CG LYS A 697 -7.950 -22.064 -31.903 1.00 0.00 C ATOM 746 CD LYS A 697 -9.200 -21.582 -31.116 1.00 0.00 C ATOM 747 CE LYS A 697 -10.518 -21.920 -31.837 1.00 0.00 C ATOM 748 NZ LYS A 697 -10.809 -23.376 -31.858 1.00 0.00 N ATOM 0 H LYS A 697 -8.730 -18.922 -32.737 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.278 -19.973 -31.728 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -8.434 -20.870 -33.649 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -6.886 -21.684 -33.756 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -8.144 -23.062 -32.296 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.111 -22.151 -31.213 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -9.202 -22.041 -30.128 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -9.138 -20.504 -30.966 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -11.339 -21.398 -31.346 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.471 -21.549 -32.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -11.779 -23.531 -32.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -10.137 -23.855 -32.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -10.715 -23.763 -30.897 1.00 0.00 H new ATOM 762 N ILE A 698 -5.979 -18.280 -34.446 1.00 0.00 N ATOM 763 CA ILE A 698 -5.088 -17.813 -35.543 1.00 0.00 C ATOM 764 C ILE A 698 -4.310 -16.564 -35.094 1.00 0.00 C ATOM 765 O ILE A 698 -3.087 -16.549 -35.001 1.00 0.00 O ATOM 766 CB ILE A 698 -5.925 -17.440 -36.833 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.997 -18.529 -37.135 1.00 0.00 C ATOM 768 CG2 ILE A 698 -4.998 -17.196 -38.057 1.00 0.00 C ATOM 769 CD1 ILE A 698 -7.984 -18.148 -38.223 1.00 0.00 C ATOM 0 H ILE A 698 -6.783 -17.673 -34.288 1.00 0.00 H new ATOM 0 HA ILE A 698 -4.400 -18.625 -35.779 1.00 0.00 H new ATOM 0 HB ILE A 698 -6.450 -16.506 -36.634 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -6.491 -19.450 -37.426 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -7.548 -18.744 -36.219 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -5.603 -16.942 -38.927 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -4.315 -16.375 -37.838 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.425 -18.100 -38.265 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -8.695 -18.961 -38.370 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -8.520 -17.246 -37.928 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -7.447 -17.963 -39.153 1.00 0.00 H new ATOM 781 N LYS A 699 -5.099 -15.531 -34.823 1.00 0.00 N ATOM 782 CA LYS A 699 -4.668 -14.145 -34.585 1.00 0.00 C ATOM 783 C LYS A 699 -4.327 -13.861 -33.104 1.00 0.00 C ATOM 784 O LYS A 699 -4.774 -14.594 -32.211 1.00 0.00 O ATOM 785 CB LYS A 699 -5.836 -13.240 -35.072 1.00 0.00 C ATOM 786 CG LYS A 699 -5.938 -13.128 -36.609 1.00 0.00 C ATOM 787 CD LYS A 699 -7.323 -12.653 -37.085 1.00 0.00 C ATOM 788 CE LYS A 699 -7.714 -11.281 -36.526 1.00 0.00 C ATOM 789 NZ LYS A 699 -9.061 -10.852 -36.976 1.00 0.00 N ATOM 0 H LYS A 699 -6.112 -15.636 -34.758 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.744 -13.946 -35.127 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.775 -13.633 -34.683 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -5.710 -12.242 -34.652 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -5.178 -12.434 -36.969 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -5.720 -14.099 -37.054 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -7.331 -12.610 -38.174 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -8.073 -13.386 -36.789 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -7.691 -11.315 -35.437 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -6.977 -10.541 -36.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -9.194 -9.843 -36.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -9.149 -11.003 -38.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -9.786 -11.409 -36.481 1.00 0.00 H new ATOM 803 N PRO A 700 -3.494 -12.793 -32.831 1.00 0.00 N ATOM 804 CA PRO A 700 -3.326 -12.227 -31.471 1.00 0.00 C ATOM 805 C PRO A 700 -4.640 -11.612 -30.938 1.00 0.00 C ATOM 806 O PRO A 700 -5.476 -11.121 -31.713 1.00 0.00 O ATOM 807 CB PRO A 700 -2.230 -11.142 -31.655 1.00 0.00 C ATOM 808 CG PRO A 700 -2.276 -10.805 -33.113 1.00 0.00 C ATOM 809 CD PRO A 700 -2.610 -12.097 -33.812 1.00 0.00 C ATOM 0 HA PRO A 700 -3.052 -12.986 -30.738 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.432 -10.266 -31.039 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -1.248 -11.517 -31.365 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -3.028 -10.043 -33.316 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -1.320 -10.409 -33.455 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -3.119 -11.923 -34.760 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.715 -12.679 -34.032 1.00 0.00 H new ATOM 817 N PHE A 701 -4.795 -11.637 -29.611 1.00 0.00 N ATOM 818 CA PHE A 701 -6.010 -11.182 -28.928 1.00 0.00 C ATOM 819 C PHE A 701 -5.635 -10.454 -27.627 1.00 0.00 C ATOM 820 O PHE A 701 -4.864 -10.972 -26.803 1.00 0.00 O ATOM 821 CB PHE A 701 -6.965 -12.385 -28.665 1.00 0.00 C ATOM 822 CG PHE A 701 -6.294 -13.676 -28.163 1.00 0.00 C ATOM 823 CD1 PHE A 701 -6.100 -13.910 -26.803 1.00 0.00 C ATOM 824 CD2 PHE A 701 -5.856 -14.648 -29.064 1.00 0.00 C ATOM 825 CE1 PHE A 701 -5.498 -15.074 -26.361 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.254 -15.809 -28.621 1.00 0.00 C ATOM 827 CZ PHE A 701 -5.071 -16.022 -27.270 1.00 0.00 C ATOM 0 H PHE A 701 -4.074 -11.977 -28.975 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.543 -10.476 -29.565 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -7.712 -12.078 -27.933 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -7.498 -12.610 -29.589 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -6.424 -13.172 -26.084 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -5.990 -14.490 -30.124 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -5.362 -15.242 -25.303 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -4.926 -16.552 -29.333 1.00 0.00 H new ATOM 0 HZ PHE A 701 -4.595 -16.928 -26.924 1.00 0.00 H new ATOM 837 N TYR A 702 -6.155 -9.223 -27.476 1.00 0.00 N ATOM 838 CA TYR A 702 -5.879 -8.351 -26.323 1.00 0.00 C ATOM 839 C TYR A 702 -7.196 -7.733 -25.812 1.00 0.00 C ATOM 840 O TYR A 702 -8.210 -7.721 -26.520 1.00 0.00 O ATOM 841 CB TYR A 702 -4.861 -7.232 -26.705 1.00 0.00 C ATOM 842 CG TYR A 702 -3.551 -7.750 -27.328 1.00 0.00 C ATOM 843 CD1 TYR A 702 -2.548 -8.332 -26.543 1.00 0.00 C ATOM 844 CD2 TYR A 702 -3.332 -7.676 -28.707 1.00 0.00 C ATOM 845 CE1 TYR A 702 -1.382 -8.809 -27.113 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.171 -8.151 -29.275 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.200 -8.718 -28.479 1.00 0.00 C ATOM 848 OH TYR A 702 -0.039 -9.182 -29.055 1.00 0.00 O ATOM 0 H TYR A 702 -6.785 -8.802 -28.159 1.00 0.00 H new ATOM 0 HA TYR A 702 -5.435 -8.950 -25.528 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -5.338 -6.548 -27.407 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -4.621 -6.655 -25.812 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -2.687 -8.410 -25.475 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -4.089 -7.237 -29.340 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -0.617 -9.251 -26.492 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -2.022 -8.079 -30.342 1.00 0.00 H new ATOM 0 HH TYR A 702 -0.076 -9.042 -30.024 1.00 0.00 H new ATOM 858 N CYS A 703 -7.160 -7.233 -24.567 1.00 0.00 N ATOM 859 CA CYS A 703 -8.320 -6.600 -23.915 1.00 0.00 C ATOM 860 C CYS A 703 -8.393 -5.102 -24.322 1.00 0.00 C ATOM 861 O CYS A 703 -7.345 -4.452 -24.403 1.00 0.00 O ATOM 862 CB CYS A 703 -8.236 -6.776 -22.373 1.00 0.00 C ATOM 863 SG CYS A 703 -7.102 -5.642 -21.498 1.00 0.00 S ATOM 0 H CYS A 703 -6.325 -7.256 -23.982 1.00 0.00 H new ATOM 0 HA CYS A 703 -9.237 -7.086 -24.247 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -9.236 -6.650 -21.958 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -7.929 -7.800 -22.160 1.00 0.00 H new ATOM 0 HG CYS A 703 -6.162 -6.329 -20.920 1.00 0.00 H new ATOM 868 N PRO A 704 -9.630 -4.539 -24.555 1.00 0.00 N ATOM 869 CA PRO A 704 -9.842 -3.207 -25.197 1.00 0.00 C ATOM 870 C PRO A 704 -9.125 -2.023 -24.509 1.00 0.00 C ATOM 871 O PRO A 704 -8.741 -1.086 -25.191 1.00 0.00 O ATOM 872 CB PRO A 704 -11.389 -3.027 -25.158 1.00 0.00 C ATOM 873 CG PRO A 704 -11.854 -3.984 -24.107 1.00 0.00 C ATOM 874 CD PRO A 704 -10.931 -5.162 -24.220 1.00 0.00 C ATOM 0 HA PRO A 704 -9.411 -3.196 -26.198 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -11.663 -2.002 -24.909 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -11.839 -3.251 -26.125 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -11.803 -3.536 -23.115 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -12.891 -4.278 -24.271 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -10.880 -5.725 -23.288 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -11.257 -5.856 -24.995 1.00 0.00 H new ATOM 882 N HIS A 705 -8.932 -2.081 -23.171 1.00 0.00 N ATOM 883 CA HIS A 705 -8.228 -1.000 -22.418 1.00 0.00 C ATOM 884 C HIS A 705 -6.755 -0.854 -22.876 1.00 0.00 C ATOM 885 O HIS A 705 -6.205 0.251 -22.856 1.00 0.00 O ATOM 886 CB HIS A 705 -8.306 -1.234 -20.880 1.00 0.00 C ATOM 887 CG HIS A 705 -9.662 -0.933 -20.270 1.00 0.00 C ATOM 888 ND1 HIS A 705 -9.874 0.069 -19.344 1.00 0.00 N ATOM 889 CD2 HIS A 705 -10.864 -1.523 -20.450 1.00 0.00 C ATOM 890 CE1 HIS A 705 -11.148 0.086 -18.999 1.00 0.00 C ATOM 891 NE2 HIS A 705 -11.764 -0.875 -19.653 1.00 0.00 N ATOM 0 H HIS A 705 -9.249 -2.856 -22.588 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.742 -0.066 -22.643 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -8.048 -2.272 -20.669 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -7.555 -0.613 -20.391 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -11.075 -2.356 -21.105 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -11.606 0.771 -18.300 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -12.756 -1.100 -19.577 1.00 0.00 H new ATOM 900 N CYS A 706 -6.144 -1.976 -23.309 1.00 0.00 N ATOM 901 CA CYS A 706 -4.785 -1.982 -23.901 1.00 0.00 C ATOM 902 C CYS A 706 -4.791 -1.341 -25.302 1.00 0.00 C ATOM 903 O CYS A 706 -3.844 -0.643 -25.673 1.00 0.00 O ATOM 904 CB CYS A 706 -4.212 -3.419 -23.965 1.00 0.00 C ATOM 905 SG CYS A 706 -3.756 -4.087 -22.335 1.00 0.00 S ATOM 0 H CYS A 706 -6.574 -2.900 -23.260 1.00 0.00 H new ATOM 0 HA CYS A 706 -4.140 -1.387 -23.255 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -4.949 -4.076 -24.426 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -3.334 -3.424 -24.610 1.00 0.00 H new ATOM 0 HG CYS A 706 -4.780 -4.694 -21.813 1.00 0.00 H new ATOM 910 N LEU A 707 -5.882 -1.565 -26.059 1.00 0.00 N ATOM 911 CA LEU A 707 -6.059 -0.985 -27.408 1.00 0.00 C ATOM 912 C LEU A 707 -6.205 0.551 -27.314 1.00 0.00 C ATOM 913 O LEU A 707 -5.641 1.286 -28.125 1.00 0.00 O ATOM 914 CB LEU A 707 -7.279 -1.626 -28.146 1.00 0.00 C ATOM 915 CG LEU A 707 -7.077 -3.067 -28.740 1.00 0.00 C ATOM 916 CD1 LEU A 707 -6.766 -4.116 -27.654 1.00 0.00 C ATOM 917 CD2 LEU A 707 -8.303 -3.502 -29.582 1.00 0.00 C ATOM 0 H LEU A 707 -6.662 -2.149 -25.757 1.00 0.00 H new ATOM 0 HA LEU A 707 -5.170 -1.210 -27.997 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -8.116 -1.661 -27.449 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -7.570 -0.962 -28.960 1.00 0.00 H new ATOM 0 HG LEU A 707 -6.206 -3.013 -29.394 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -6.636 -5.093 -28.119 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -5.851 -3.838 -27.131 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -7.591 -4.159 -26.943 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -8.135 -4.503 -29.980 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -9.193 -3.507 -28.953 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -8.445 -2.803 -30.406 1.00 0.00 H new ATOM 929 N VAL A 708 -6.931 1.004 -26.275 1.00 0.00 N ATOM 930 CA VAL A 708 -7.133 2.434 -25.965 1.00 0.00 C ATOM 931 C VAL A 708 -5.813 3.084 -25.488 1.00 0.00 C ATOM 932 O VAL A 708 -5.525 4.248 -25.812 1.00 0.00 O ATOM 933 CB VAL A 708 -8.265 2.609 -24.878 1.00 0.00 C ATOM 934 CG1 VAL A 708 -8.467 4.090 -24.464 1.00 0.00 C ATOM 935 CG2 VAL A 708 -9.595 1.998 -25.381 1.00 0.00 C ATOM 0 H VAL A 708 -7.400 0.380 -25.618 1.00 0.00 H new ATOM 0 HA VAL A 708 -7.450 2.940 -26.877 1.00 0.00 H new ATOM 0 HB VAL A 708 -7.939 2.073 -23.987 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -9.256 4.154 -23.715 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -7.539 4.481 -24.047 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -8.748 4.677 -25.338 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -10.365 2.127 -24.620 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -9.903 2.501 -26.298 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -9.455 0.935 -25.580 1.00 0.00 H new ATOM 945 N ALA A 709 -5.014 2.300 -24.736 1.00 0.00 N ATOM 946 CA ALA A 709 -3.696 2.728 -24.226 1.00 0.00 C ATOM 947 C ALA A 709 -2.674 2.903 -25.373 1.00 0.00 C ATOM 948 O ALA A 709 -1.742 3.707 -25.264 1.00 0.00 O ATOM 949 CB ALA A 709 -3.174 1.724 -23.179 1.00 0.00 C ATOM 0 H ALA A 709 -5.266 1.350 -24.465 1.00 0.00 H new ATOM 0 HA ALA A 709 -3.822 3.699 -23.747 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -2.202 2.053 -22.812 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -3.876 1.668 -22.347 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -3.075 0.740 -23.637 1.00 0.00 H new ATOM 955 N MET A 710 -2.854 2.137 -26.466 1.00 0.00 N ATOM 956 CA MET A 710 -1.984 2.217 -27.667 1.00 0.00 C ATOM 957 C MET A 710 -2.412 3.359 -28.620 1.00 0.00 C ATOM 958 O MET A 710 -1.735 3.607 -29.623 1.00 0.00 O ATOM 959 CB MET A 710 -1.960 0.853 -28.418 1.00 0.00 C ATOM 960 CG MET A 710 -1.283 -0.292 -27.647 1.00 0.00 C ATOM 961 SD MET A 710 -1.146 -1.823 -28.612 1.00 0.00 S ATOM 962 CE MET A 710 -2.862 -2.268 -28.890 1.00 0.00 C ATOM 0 H MET A 710 -3.601 1.447 -26.547 1.00 0.00 H new ATOM 0 HA MET A 710 -0.975 2.446 -27.322 1.00 0.00 H new ATOM 0 HB2 MET A 710 -2.985 0.562 -28.648 1.00 0.00 H new ATOM 0 HB3 MET A 710 -1.445 0.986 -29.370 1.00 0.00 H new ATOM 0 HG2 MET A 710 -0.287 0.026 -27.339 1.00 0.00 H new ATOM 0 HG3 MET A 710 -1.849 -0.493 -26.737 1.00 0.00 H new ATOM 0 HE1 MET A 710 -2.910 -3.189 -29.471 1.00 0.00 H new ATOM 0 HE2 MET A 710 -3.359 -2.417 -27.931 1.00 0.00 H new ATOM 0 HE3 MET A 710 -3.361 -1.468 -29.437 1.00 0.00 H new