USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=15 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 -179:sc= 1.43 USER MOD Set 1.2: A 680 CYS SG : rot -63:sc= -3.23! USER MOD Set 1.3: A 703 CYS SG : rot -122:sc= 0.265 USER MOD Set 1.4: A 706 CYS SG : rot 150:sc= 0.279 USER MOD Set 2.1: A 661 CYS SG : rot -170:sc= -1.43! USER MOD Set 2.2: A 663 CYS SG : rot -170:sc= -1.22! USER MOD Set 2.3: A 685 HIS : no HD1:sc= -1.27! X(o=-5.9!,f=-5.6) USER MOD Set 2.4: A 688 CYS SG : rot -162:sc= -1.98! USER MOD Single : A 668 GLN : amide:sc= -1.62 K(o=-1.6,f=-4.9!) USER MOD Single : A 672 LYS NZ :NH3+ -113:sc= 0.033 (180deg=-0.0589) USER MOD Single : A 676 GLN : amide:sc= -0.633 K(o=-0.63,f=-0.12) USER MOD Single : A 679 LYS NZ :NH3+ -157:sc= 0.453 (180deg=-0.56!) USER MOD Single : A 681 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 684 GLN : amide:sc= -6.7! C(o=-6.7!,f=-4.6!) USER MOD Single : A 687 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0258) USER MOD Single : A 690 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 691 TYR OH : rot 66:sc= 0.68 USER MOD Single : A 694 LYS NZ :NH3+ 153:sc= 0.624 (180deg=0.0626) USER MOD Single : A 695 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.2) USER MOD Single : A 697 LYS NZ :NH3+ 166:sc=-0.00696 (180deg=-0.144) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 TYR OH : rot 180:sc= 0 USER MOD Single : A 705 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 710 MET CE :methyl -168:sc= -0.463 (180deg=-0.695) USER MOD ----------------------------------------------------------------- ATOM 93 N ARG A 658 -6.950 -8.540 -10.613 1.00 0.00 N ATOM 94 CA ARG A 658 -8.363 -8.757 -10.879 1.00 0.00 C ATOM 95 C ARG A 658 -8.512 -8.962 -12.408 1.00 0.00 C ATOM 96 O ARG A 658 -8.537 -8.005 -13.188 1.00 0.00 O ATOM 97 CB ARG A 658 -9.188 -7.562 -10.280 1.00 0.00 C ATOM 98 CG ARG A 658 -10.685 -7.473 -10.709 1.00 0.00 C ATOM 99 CD ARG A 658 -10.892 -6.480 -11.863 1.00 0.00 C ATOM 100 NE ARG A 658 -12.246 -6.560 -12.448 1.00 0.00 N ATOM 101 CZ ARG A 658 -12.647 -5.920 -13.555 1.00 0.00 C ATOM 102 NH1 ARG A 658 -11.815 -5.141 -14.234 1.00 0.00 N ATOM 103 NH2 ARG A 658 -13.885 -6.073 -13.983 1.00 0.00 N ATOM 0 HA ARG A 658 -8.764 -9.648 -10.395 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -9.147 -7.629 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -8.695 -6.631 -10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -11.035 -8.460 -11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -11.290 -7.168 -9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -10.716 -5.467 -11.501 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -10.153 -6.673 -12.640 1.00 0.00 H new ATOM 0 HE ARG A 658 -12.930 -7.149 -11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -10.853 -5.022 -13.915 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -12.137 -4.661 -15.075 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -14.530 -6.675 -13.472 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -14.197 -5.589 -14.825 1.00 0.00 H new ATOM 117 N PHE A 659 -8.446 -10.237 -12.824 1.00 0.00 N ATOM 118 CA PHE A 659 -8.564 -10.656 -14.229 1.00 0.00 C ATOM 119 C PHE A 659 -9.961 -11.246 -14.499 1.00 0.00 C ATOM 120 O PHE A 659 -10.199 -12.438 -14.296 1.00 0.00 O ATOM 121 CB PHE A 659 -7.393 -11.631 -14.619 1.00 0.00 C ATOM 122 CG PHE A 659 -6.881 -12.595 -13.514 1.00 0.00 C ATOM 123 CD1 PHE A 659 -7.721 -13.542 -12.916 1.00 0.00 C ATOM 124 CD2 PHE A 659 -5.546 -12.556 -13.088 1.00 0.00 C ATOM 125 CE1 PHE A 659 -7.252 -14.409 -11.943 1.00 0.00 C ATOM 126 CE2 PHE A 659 -5.080 -13.426 -12.111 1.00 0.00 C ATOM 127 CZ PHE A 659 -5.932 -14.348 -11.539 1.00 0.00 C ATOM 0 H PHE A 659 -8.307 -11.018 -12.183 1.00 0.00 H new ATOM 0 HA PHE A 659 -8.464 -9.784 -14.875 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.721 -12.232 -15.467 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.551 -11.029 -14.961 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -8.756 -13.598 -13.220 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -4.869 -11.838 -13.527 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -7.919 -15.134 -11.500 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -4.047 -13.381 -11.798 1.00 0.00 H new ATOM 0 HZ PHE A 659 -5.568 -15.021 -10.777 1.00 0.00 H new ATOM 137 N GLU A 660 -10.899 -10.384 -14.922 1.00 0.00 N ATOM 138 CA GLU A 660 -12.299 -10.779 -15.151 1.00 0.00 C ATOM 139 C GLU A 660 -12.854 -9.980 -16.337 1.00 0.00 C ATOM 140 O GLU A 660 -12.427 -8.838 -16.589 1.00 0.00 O ATOM 141 CB GLU A 660 -13.136 -10.549 -13.845 1.00 0.00 C ATOM 142 CG GLU A 660 -14.352 -11.499 -13.637 1.00 0.00 C ATOM 143 CD GLU A 660 -15.565 -11.221 -14.550 1.00 0.00 C ATOM 144 OE1 GLU A 660 -16.250 -10.212 -14.314 1.00 0.00 O ATOM 145 OE2 GLU A 660 -15.835 -12.010 -15.494 1.00 0.00 O ATOM 0 H GLU A 660 -10.711 -9.400 -15.114 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.362 -11.840 -15.395 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -12.470 -10.651 -12.988 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -13.499 -9.521 -13.846 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -14.023 -12.525 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -14.675 -11.428 -12.598 1.00 0.00 H new ATOM 152 N CYS A 661 -13.794 -10.599 -17.065 1.00 0.00 N ATOM 153 CA CYS A 661 -14.421 -10.005 -18.242 1.00 0.00 C ATOM 154 C CYS A 661 -15.360 -8.856 -17.845 1.00 0.00 C ATOM 155 O CYS A 661 -16.200 -9.030 -16.967 1.00 0.00 O ATOM 156 CB CYS A 661 -15.205 -11.051 -19.043 1.00 0.00 C ATOM 157 SG CYS A 661 -15.816 -10.385 -20.618 1.00 0.00 S ATOM 0 H CYS A 661 -14.140 -11.534 -16.847 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.620 -9.611 -18.868 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.566 -11.912 -19.237 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -16.047 -11.406 -18.449 1.00 0.00 H new ATOM 0 HG CYS A 661 -16.636 -11.236 -21.160 1.00 0.00 H new ATOM 162 N ILE A 662 -15.238 -7.721 -18.566 1.00 0.00 N ATOM 163 CA ILE A 662 -15.965 -6.446 -18.309 1.00 0.00 C ATOM 164 C ILE A 662 -17.493 -6.602 -18.023 1.00 0.00 C ATOM 165 O ILE A 662 -18.060 -5.809 -17.259 1.00 0.00 O ATOM 166 CB ILE A 662 -15.742 -5.447 -19.517 1.00 0.00 C ATOM 167 CG1 ILE A 662 -16.069 -6.161 -20.876 1.00 0.00 C ATOM 168 CG2 ILE A 662 -14.297 -4.877 -19.505 1.00 0.00 C ATOM 169 CD1 ILE A 662 -15.954 -5.294 -22.112 1.00 0.00 C ATOM 0 H ILE A 662 -14.613 -7.658 -19.370 1.00 0.00 H new ATOM 0 HA ILE A 662 -15.538 -6.049 -17.388 1.00 0.00 H new ATOM 0 HB ILE A 662 -16.424 -4.604 -19.405 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -15.400 -7.014 -20.988 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -17.083 -6.556 -20.824 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -14.168 -4.194 -20.344 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -14.125 -4.342 -18.571 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -13.582 -5.695 -19.591 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -16.201 -5.884 -22.995 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -16.644 -4.454 -22.033 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -14.934 -4.919 -22.200 1.00 0.00 H new ATOM 181 N CYS A 663 -18.148 -7.615 -18.637 1.00 0.00 N ATOM 182 CA CYS A 663 -19.596 -7.881 -18.420 1.00 0.00 C ATOM 183 C CYS A 663 -19.853 -8.467 -17.018 1.00 0.00 C ATOM 184 O CYS A 663 -20.659 -7.937 -16.251 1.00 0.00 O ATOM 185 CB CYS A 663 -20.159 -8.849 -19.487 1.00 0.00 C ATOM 186 SG CYS A 663 -19.408 -10.508 -19.461 1.00 0.00 S ATOM 0 H CYS A 663 -17.701 -8.262 -19.286 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.108 -6.923 -18.506 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.235 -8.947 -19.341 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -20.010 -8.411 -20.474 1.00 0.00 H new ATOM 0 HG CYS A 663 -19.781 -11.170 -20.516 1.00 0.00 H new ATOM 191 N GLY A 664 -19.124 -9.543 -16.691 1.00 0.00 N ATOM 192 CA GLY A 664 -19.389 -10.345 -15.490 1.00 0.00 C ATOM 193 C GLY A 664 -20.431 -11.454 -15.699 1.00 0.00 C ATOM 194 O GLY A 664 -21.135 -11.826 -14.749 1.00 0.00 O ATOM 0 H GLY A 664 -18.339 -9.880 -17.248 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -18.456 -10.796 -15.153 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -19.730 -9.685 -14.692 1.00 0.00 H new ATOM 198 N GLU A 665 -20.526 -11.977 -16.948 1.00 0.00 N ATOM 199 CA GLU A 665 -21.356 -13.162 -17.279 1.00 0.00 C ATOM 200 C GLU A 665 -20.669 -14.417 -16.697 1.00 0.00 C ATOM 201 O GLU A 665 -21.097 -14.985 -15.691 1.00 0.00 O ATOM 202 CB GLU A 665 -21.506 -13.349 -18.833 1.00 0.00 C ATOM 203 CG GLU A 665 -22.161 -12.198 -19.620 1.00 0.00 C ATOM 204 CD GLU A 665 -21.935 -12.335 -21.147 1.00 0.00 C ATOM 205 OE1 GLU A 665 -20.882 -11.865 -21.647 1.00 0.00 O ATOM 206 OE2 GLU A 665 -22.777 -12.949 -21.840 1.00 0.00 O ATOM 0 H GLU A 665 -20.031 -11.590 -17.751 1.00 0.00 H new ATOM 0 HA GLU A 665 -22.349 -13.017 -16.854 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -20.514 -13.522 -19.250 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -22.088 -14.253 -19.010 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -23.231 -12.180 -19.412 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -21.754 -11.247 -19.277 1.00 0.00 H new ATOM 213 N LEU A 666 -19.556 -14.767 -17.364 1.00 0.00 N ATOM 214 CA LEU A 666 -18.709 -15.963 -17.159 1.00 0.00 C ATOM 215 C LEU A 666 -17.329 -15.611 -17.747 1.00 0.00 C ATOM 216 O LEU A 666 -17.086 -14.433 -18.064 1.00 0.00 O ATOM 217 CB LEU A 666 -19.295 -17.211 -17.905 1.00 0.00 C ATOM 218 CG LEU A 666 -20.635 -17.795 -17.364 1.00 0.00 C ATOM 219 CD1 LEU A 666 -21.167 -18.919 -18.281 1.00 0.00 C ATOM 220 CD2 LEU A 666 -20.490 -18.288 -15.904 1.00 0.00 C ATOM 0 H LEU A 666 -19.195 -14.181 -18.117 1.00 0.00 H new ATOM 0 HA LEU A 666 -18.655 -16.219 -16.101 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -19.441 -16.942 -18.951 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -18.546 -18.003 -17.880 1.00 0.00 H new ATOM 0 HG LEU A 666 -21.367 -16.988 -17.367 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -22.102 -19.306 -17.877 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -21.341 -18.521 -19.281 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -20.434 -19.724 -18.333 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -21.443 -18.689 -15.559 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -19.730 -19.068 -15.857 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -20.195 -17.455 -15.266 1.00 0.00 H new ATOM 232 N ASP A 667 -16.418 -16.602 -17.871 1.00 0.00 N ATOM 233 CA ASP A 667 -15.254 -16.472 -18.781 1.00 0.00 C ATOM 234 C ASP A 667 -14.611 -17.843 -19.024 1.00 0.00 C ATOM 235 O ASP A 667 -13.518 -18.130 -18.543 1.00 0.00 O ATOM 236 CB ASP A 667 -14.210 -15.417 -18.272 1.00 0.00 C ATOM 237 CG ASP A 667 -13.506 -14.704 -19.437 1.00 0.00 C ATOM 238 OD1 ASP A 667 -14.191 -13.946 -20.161 1.00 0.00 O ATOM 239 OD2 ASP A 667 -12.295 -14.910 -19.654 1.00 0.00 O ATOM 0 H ASP A 667 -16.462 -17.486 -17.363 1.00 0.00 H new ATOM 0 HA ASP A 667 -15.621 -16.094 -19.735 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -14.713 -14.680 -17.646 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -13.467 -15.913 -17.647 1.00 0.00 H new ATOM 244 N GLN A 668 -15.367 -18.722 -19.720 1.00 0.00 N ATOM 245 CA GLN A 668 -14.914 -20.085 -20.124 1.00 0.00 C ATOM 246 C GLN A 668 -15.330 -20.342 -21.578 1.00 0.00 C ATOM 247 O GLN A 668 -16.423 -19.931 -21.976 1.00 0.00 O ATOM 248 CB GLN A 668 -15.524 -21.219 -19.235 1.00 0.00 C ATOM 249 CG GLN A 668 -15.274 -21.111 -17.709 1.00 0.00 C ATOM 250 CD GLN A 668 -16.089 -20.018 -17.008 1.00 0.00 C ATOM 251 OE1 GLN A 668 -17.197 -19.687 -17.420 1.00 0.00 O ATOM 252 NE2 GLN A 668 -15.539 -19.431 -15.964 1.00 0.00 N ATOM 0 H GLN A 668 -16.318 -18.510 -20.023 1.00 0.00 H new ATOM 0 HA GLN A 668 -13.831 -20.109 -20.002 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -16.601 -21.243 -19.404 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -15.126 -22.174 -19.579 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -15.504 -22.071 -17.247 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -14.214 -20.922 -17.540 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -14.617 -19.724 -15.641 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -16.035 -18.683 -15.479 1.00 0.00 H new ATOM 261 N ILE A 669 -14.477 -21.057 -22.348 1.00 0.00 N ATOM 262 CA ILE A 669 -14.781 -21.445 -23.742 1.00 0.00 C ATOM 263 C ILE A 669 -15.795 -22.608 -23.721 1.00 0.00 C ATOM 264 O ILE A 669 -15.416 -23.793 -23.727 1.00 0.00 O ATOM 265 CB ILE A 669 -13.481 -21.859 -24.545 1.00 0.00 C ATOM 266 CG1 ILE A 669 -12.399 -20.739 -24.467 1.00 0.00 C ATOM 267 CG2 ILE A 669 -13.812 -22.191 -26.030 1.00 0.00 C ATOM 268 CD1 ILE A 669 -11.065 -21.083 -25.106 1.00 0.00 C ATOM 0 H ILE A 669 -13.566 -21.378 -22.022 1.00 0.00 H new ATOM 0 HA ILE A 669 -15.205 -20.583 -24.257 1.00 0.00 H new ATOM 0 HB ILE A 669 -13.082 -22.760 -24.079 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -12.792 -19.842 -24.945 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -12.229 -20.493 -23.419 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -12.898 -22.471 -26.553 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -14.520 -23.019 -26.069 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -14.250 -21.316 -26.510 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -10.382 -20.240 -24.999 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -10.641 -21.958 -24.614 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -11.213 -21.298 -26.164 1.00 0.00 H new ATOM 280 N ASP A 670 -17.081 -22.254 -23.617 1.00 0.00 N ATOM 281 CA ASP A 670 -18.182 -23.226 -23.529 1.00 0.00 C ATOM 282 C ASP A 670 -19.404 -22.693 -24.287 1.00 0.00 C ATOM 283 O ASP A 670 -19.673 -23.112 -25.417 1.00 0.00 O ATOM 284 CB ASP A 670 -18.505 -23.513 -22.031 1.00 0.00 C ATOM 285 CG ASP A 670 -19.635 -24.537 -21.829 1.00 0.00 C ATOM 286 OD1 ASP A 670 -19.388 -25.746 -22.033 1.00 0.00 O ATOM 287 OD2 ASP A 670 -20.766 -24.143 -21.467 1.00 0.00 O ATOM 0 H ASP A 670 -17.391 -21.282 -23.591 1.00 0.00 H new ATOM 0 HA ASP A 670 -17.890 -24.168 -23.994 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -17.604 -23.877 -21.537 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -18.781 -22.579 -21.542 1.00 0.00 H new ATOM 292 N ARG A 671 -20.126 -21.739 -23.669 1.00 0.00 N ATOM 293 CA ARG A 671 -21.259 -21.052 -24.310 1.00 0.00 C ATOM 294 C ARG A 671 -20.758 -19.814 -25.052 1.00 0.00 C ATOM 295 O ARG A 671 -21.115 -19.578 -26.208 1.00 0.00 O ATOM 296 CB ARG A 671 -22.332 -20.661 -23.257 1.00 0.00 C ATOM 297 CG ARG A 671 -23.082 -21.856 -22.624 1.00 0.00 C ATOM 298 CD ARG A 671 -23.771 -22.746 -23.680 1.00 0.00 C ATOM 299 NE ARG A 671 -24.684 -21.989 -24.554 1.00 0.00 N ATOM 300 CZ ARG A 671 -25.302 -22.480 -25.640 1.00 0.00 C ATOM 301 NH1 ARG A 671 -25.110 -23.724 -26.038 1.00 0.00 N ATOM 302 NH2 ARG A 671 -26.102 -21.709 -26.337 1.00 0.00 N ATOM 0 H ARG A 671 -19.940 -21.425 -22.716 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.723 -21.731 -25.026 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -21.851 -20.090 -22.463 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -23.060 -20.001 -23.728 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -22.379 -22.458 -22.048 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -23.830 -21.482 -21.924 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -23.011 -23.233 -24.291 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -24.329 -23.535 -23.176 1.00 0.00 H new ATOM 0 HE ARG A 671 -24.861 -21.013 -24.315 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -24.481 -24.335 -25.517 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -25.591 -24.074 -26.866 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -26.252 -20.741 -26.053 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -26.574 -22.078 -27.163 1.00 0.00 H new ATOM 316 N LYS A 672 -19.924 -19.028 -24.363 1.00 0.00 N ATOM 317 CA LYS A 672 -19.322 -17.808 -24.910 1.00 0.00 C ATOM 318 C LYS A 672 -17.799 -18.006 -25.011 1.00 0.00 C ATOM 319 O LYS A 672 -17.194 -18.484 -24.053 1.00 0.00 O ATOM 320 CB LYS A 672 -19.652 -16.593 -23.995 1.00 0.00 C ATOM 321 CG LYS A 672 -21.167 -16.357 -23.755 1.00 0.00 C ATOM 322 CD LYS A 672 -21.959 -16.050 -25.053 1.00 0.00 C ATOM 323 CE LYS A 672 -21.649 -14.657 -25.632 1.00 0.00 C ATOM 324 NZ LYS A 672 -22.150 -13.565 -24.759 1.00 0.00 N ATOM 0 H LYS A 672 -19.646 -19.223 -23.401 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.728 -17.609 -25.902 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -19.163 -16.737 -23.032 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -19.224 -15.694 -24.438 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -21.593 -17.240 -23.279 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -21.292 -15.528 -23.058 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -21.727 -16.808 -25.801 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -23.027 -16.122 -24.846 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -20.572 -14.551 -25.763 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -22.101 -14.567 -26.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -22.919 -13.058 -25.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -22.507 -13.968 -23.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -21.375 -12.903 -24.552 1.00 0.00 H new ATOM 338 N PRO A 673 -17.148 -17.636 -26.156 1.00 0.00 N ATOM 339 CA PRO A 673 -15.679 -17.737 -26.301 1.00 0.00 C ATOM 340 C PRO A 673 -14.978 -16.641 -25.477 1.00 0.00 C ATOM 341 O PRO A 673 -15.589 -15.601 -25.201 1.00 0.00 O ATOM 342 CB PRO A 673 -15.456 -17.543 -27.817 1.00 0.00 C ATOM 343 CG PRO A 673 -16.610 -16.700 -28.265 1.00 0.00 C ATOM 344 CD PRO A 673 -17.783 -17.071 -27.373 1.00 0.00 C ATOM 0 HA PRO A 673 -15.270 -18.680 -25.938 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -14.504 -17.051 -28.018 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -15.437 -18.499 -28.340 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -16.374 -15.640 -28.176 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -16.844 -16.887 -29.313 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.394 -16.200 -27.136 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.437 -17.798 -27.856 1.00 0.00 H new ATOM 352 N ARG A 674 -13.704 -16.857 -25.103 1.00 0.00 N ATOM 353 CA ARG A 674 -12.975 -15.928 -24.220 1.00 0.00 C ATOM 354 C ARG A 674 -11.497 -15.775 -24.636 1.00 0.00 C ATOM 355 O ARG A 674 -10.749 -16.750 -24.754 1.00 0.00 O ATOM 356 CB ARG A 674 -13.159 -16.351 -22.730 1.00 0.00 C ATOM 357 CG ARG A 674 -12.860 -17.837 -22.407 1.00 0.00 C ATOM 358 CD ARG A 674 -11.450 -18.113 -21.868 1.00 0.00 C ATOM 359 NE ARG A 674 -11.293 -17.585 -20.499 1.00 0.00 N ATOM 360 CZ ARG A 674 -10.514 -18.097 -19.541 1.00 0.00 C ATOM 361 NH1 ARG A 674 -9.860 -19.222 -19.734 1.00 0.00 N ATOM 362 NH2 ARG A 674 -10.409 -17.470 -18.383 1.00 0.00 N ATOM 0 H ARG A 674 -13.158 -17.666 -25.398 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.404 -14.932 -24.328 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -12.512 -15.728 -22.113 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -14.186 -16.135 -22.435 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -13.587 -18.187 -21.675 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -13.009 -18.427 -23.312 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -11.259 -19.186 -21.871 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -10.710 -17.656 -22.525 1.00 0.00 H new ATOM 0 HE ARG A 674 -11.830 -16.751 -20.261 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -9.944 -19.715 -20.623 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -9.269 -19.602 -18.994 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -10.920 -16.602 -18.225 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -9.817 -17.854 -17.647 1.00 0.00 H new ATOM 376 N VAL A 675 -11.136 -14.516 -24.913 1.00 0.00 N ATOM 377 CA VAL A 675 -9.790 -14.076 -25.274 1.00 0.00 C ATOM 378 C VAL A 675 -8.965 -13.767 -24.008 1.00 0.00 C ATOM 379 O VAL A 675 -9.425 -13.099 -23.070 1.00 0.00 O ATOM 380 CB VAL A 675 -9.839 -12.814 -26.221 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.524 -13.162 -27.554 1.00 0.00 C ATOM 382 CG2 VAL A 675 -10.528 -11.587 -25.561 1.00 0.00 C ATOM 0 H VAL A 675 -11.805 -13.746 -24.890 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.306 -14.887 -25.817 1.00 0.00 H new ATOM 0 HB VAL A 675 -8.804 -12.529 -26.412 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.548 -12.279 -28.192 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -9.967 -13.955 -28.053 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.543 -13.499 -27.362 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -10.531 -10.751 -26.261 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -11.554 -11.844 -25.298 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -9.983 -11.304 -24.661 1.00 0.00 H new ATOM 392 N GLN A 676 -7.749 -14.293 -23.989 1.00 0.00 N ATOM 393 CA GLN A 676 -6.800 -14.120 -22.887 1.00 0.00 C ATOM 394 C GLN A 676 -5.799 -13.026 -23.272 1.00 0.00 C ATOM 395 O GLN A 676 -4.837 -13.300 -23.993 1.00 0.00 O ATOM 396 CB GLN A 676 -6.094 -15.479 -22.608 1.00 0.00 C ATOM 397 CG GLN A 676 -7.063 -16.651 -22.333 1.00 0.00 C ATOM 398 CD GLN A 676 -7.937 -16.427 -21.100 1.00 0.00 C ATOM 399 OE1 GLN A 676 -7.575 -16.818 -19.997 1.00 0.00 O ATOM 400 NE2 GLN A 676 -9.083 -15.769 -21.266 1.00 0.00 N ATOM 0 H GLN A 676 -7.383 -14.864 -24.751 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.309 -13.813 -21.973 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -5.468 -15.733 -23.463 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -5.431 -15.362 -21.751 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -7.703 -16.798 -23.203 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -6.488 -17.568 -22.202 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -9.360 -15.455 -22.196 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -9.683 -15.579 -20.463 1.00 0.00 H new ATOM 409 N CYS A 677 -6.060 -11.775 -22.834 1.00 0.00 N ATOM 410 CA CYS A 677 -5.239 -10.609 -23.213 1.00 0.00 C ATOM 411 C CYS A 677 -3.819 -10.742 -22.647 1.00 0.00 C ATOM 412 O CYS A 677 -3.546 -10.305 -21.531 1.00 0.00 O ATOM 413 CB CYS A 677 -5.876 -9.294 -22.738 1.00 0.00 C ATOM 414 SG CYS A 677 -4.907 -7.817 -23.170 1.00 0.00 S ATOM 0 H CYS A 677 -6.838 -11.548 -22.214 1.00 0.00 H new ATOM 0 HA CYS A 677 -5.186 -10.585 -24.301 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -6.872 -9.205 -23.172 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -6.003 -9.331 -21.656 1.00 0.00 H new ATOM 0 HG CYS A 677 -5.504 -6.757 -22.711 1.00 0.00 H new ATOM 419 N LEU A 678 -2.946 -11.359 -23.457 1.00 0.00 N ATOM 420 CA LEU A 678 -1.566 -11.739 -23.099 1.00 0.00 C ATOM 421 C LEU A 678 -0.700 -10.537 -22.665 1.00 0.00 C ATOM 422 O LEU A 678 0.235 -10.691 -21.875 1.00 0.00 O ATOM 423 CB LEU A 678 -0.898 -12.504 -24.289 1.00 0.00 C ATOM 424 CG LEU A 678 -0.886 -11.782 -25.703 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.364 -12.180 -26.531 1.00 0.00 C ATOM 426 CD2 LEU A 678 -2.178 -12.056 -26.532 1.00 0.00 C ATOM 0 H LEU A 678 -3.187 -11.617 -24.414 1.00 0.00 H new ATOM 0 HA LEU A 678 -1.629 -12.396 -22.232 1.00 0.00 H new ATOM 0 HB2 LEU A 678 0.134 -12.723 -24.013 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.407 -13.461 -24.403 1.00 0.00 H new ATOM 0 HG LEU A 678 -0.849 -10.713 -25.492 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.341 -11.668 -27.493 1.00 0.00 H new ATOM 0 HD12 LEU A 678 1.266 -11.894 -25.989 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.365 -13.258 -26.693 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -2.113 -11.537 -27.488 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -2.278 -13.127 -26.706 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -3.047 -11.695 -25.982 1.00 0.00 H new ATOM 438 N LYS A 679 -1.049 -9.342 -23.177 1.00 0.00 N ATOM 439 CA LYS A 679 -0.304 -8.094 -22.925 1.00 0.00 C ATOM 440 C LYS A 679 -0.405 -7.628 -21.444 1.00 0.00 C ATOM 441 O LYS A 679 0.501 -6.962 -20.947 1.00 0.00 O ATOM 442 CB LYS A 679 -0.797 -6.996 -23.911 1.00 0.00 C ATOM 443 CG LYS A 679 -0.040 -5.636 -23.830 1.00 0.00 C ATOM 444 CD LYS A 679 -0.113 -4.816 -25.145 1.00 0.00 C ATOM 445 CE LYS A 679 0.643 -5.501 -26.303 1.00 0.00 C ATOM 446 NZ LYS A 679 0.644 -4.696 -27.544 1.00 0.00 N ATOM 0 H LYS A 679 -1.861 -9.214 -23.781 1.00 0.00 H new ATOM 0 HA LYS A 679 0.755 -8.284 -23.101 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.712 -7.380 -24.928 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -1.856 -6.815 -23.726 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -0.458 -5.043 -23.016 1.00 0.00 H new ATOM 0 HG3 LYS A 679 1.005 -5.824 -23.584 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -1.157 -4.677 -25.427 1.00 0.00 H new ATOM 0 HD3 LYS A 679 0.306 -3.824 -24.976 1.00 0.00 H new ATOM 0 HE2 LYS A 679 1.672 -5.690 -25.997 1.00 0.00 H new ATOM 0 HE3 LYS A 679 0.187 -6.470 -26.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 0.799 -5.319 -28.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -0.272 -4.213 -27.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 1.405 -3.989 -27.498 1.00 0.00 H new ATOM 460 N CYS A 680 -1.499 -7.991 -20.737 1.00 0.00 N ATOM 461 CA CYS A 680 -1.685 -7.594 -19.307 1.00 0.00 C ATOM 462 C CYS A 680 -2.292 -8.745 -18.476 1.00 0.00 C ATOM 463 O CYS A 680 -2.601 -8.551 -17.294 1.00 0.00 O ATOM 464 CB CYS A 680 -2.590 -6.339 -19.195 1.00 0.00 C ATOM 465 SG CYS A 680 -4.342 -6.659 -19.578 1.00 0.00 S ATOM 0 H CYS A 680 -2.261 -8.550 -21.119 1.00 0.00 H new ATOM 0 HA CYS A 680 -0.698 -7.360 -18.907 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -2.516 -5.938 -18.184 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -2.215 -5.570 -19.871 1.00 0.00 H new ATOM 0 HG CYS A 680 -4.452 -7.046 -20.814 1.00 0.00 H new ATOM 470 N HIS A 681 -2.415 -9.942 -19.103 1.00 0.00 N ATOM 471 CA HIS A 681 -3.054 -11.145 -18.508 1.00 0.00 C ATOM 472 C HIS A 681 -4.453 -10.826 -17.922 1.00 0.00 C ATOM 473 O HIS A 681 -4.765 -11.159 -16.776 1.00 0.00 O ATOM 474 CB HIS A 681 -2.104 -11.833 -17.481 1.00 0.00 C ATOM 475 CG HIS A 681 -0.905 -12.489 -18.130 1.00 0.00 C ATOM 476 ND1 HIS A 681 -0.791 -13.854 -18.286 1.00 0.00 N ATOM 477 CD2 HIS A 681 0.204 -11.960 -18.704 1.00 0.00 C ATOM 478 CE1 HIS A 681 0.328 -14.131 -18.925 1.00 0.00 C ATOM 479 NE2 HIS A 681 0.945 -13.002 -19.189 1.00 0.00 N ATOM 0 H HIS A 681 -2.069 -10.102 -20.049 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.226 -11.866 -19.308 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -1.759 -11.091 -16.760 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -2.664 -12.584 -16.923 1.00 0.00 H new ATOM 0 HD2 HIS A 681 0.455 -10.911 -18.766 1.00 0.00 H new ATOM 0 HE1 HIS A 681 0.678 -15.119 -19.187 1.00 0.00 H new ATOM 0 HE2 HIS A 681 1.836 -12.916 -19.678 1.00 0.00 H new ATOM 488 N LEU A 682 -5.294 -10.194 -18.762 1.00 0.00 N ATOM 489 CA LEU A 682 -6.683 -9.812 -18.410 1.00 0.00 C ATOM 490 C LEU A 682 -7.626 -10.684 -19.243 1.00 0.00 C ATOM 491 O LEU A 682 -7.539 -10.692 -20.478 1.00 0.00 O ATOM 492 CB LEU A 682 -6.899 -8.283 -18.687 1.00 0.00 C ATOM 493 CG LEU A 682 -8.167 -7.569 -18.085 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.476 -7.975 -18.786 1.00 0.00 C ATOM 495 CD2 LEU A 682 -8.256 -7.791 -16.567 1.00 0.00 C ATOM 0 H LEU A 682 -5.031 -9.930 -19.712 1.00 0.00 H new ATOM 0 HA LEU A 682 -6.885 -9.975 -17.351 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -6.019 -7.755 -18.320 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -6.926 -8.145 -19.768 1.00 0.00 H new ATOM 0 HG LEU A 682 -8.039 -6.503 -18.271 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.313 -7.450 -18.326 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -9.419 -7.713 -19.843 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.624 -9.050 -18.686 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -9.140 -7.287 -16.177 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -8.325 -8.859 -16.359 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -7.366 -7.385 -16.087 1.00 0.00 H new ATOM 507 N TRP A 683 -8.508 -11.427 -18.568 1.00 0.00 N ATOM 508 CA TRP A 683 -9.416 -12.380 -19.227 1.00 0.00 C ATOM 509 C TRP A 683 -10.692 -11.645 -19.675 1.00 0.00 C ATOM 510 O TRP A 683 -11.267 -10.863 -18.905 1.00 0.00 O ATOM 511 CB TRP A 683 -9.758 -13.561 -18.274 1.00 0.00 C ATOM 512 CG TRP A 683 -8.603 -14.126 -17.464 1.00 0.00 C ATOM 513 CD1 TRP A 683 -8.693 -14.609 -16.193 1.00 0.00 C ATOM 514 CD2 TRP A 683 -7.203 -14.280 -17.839 1.00 0.00 C ATOM 515 NE1 TRP A 683 -7.472 -15.010 -15.742 1.00 0.00 N ATOM 516 CE2 TRP A 683 -6.543 -14.826 -16.725 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.442 -14.000 -18.983 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -5.180 -15.109 -16.719 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -5.094 -14.281 -18.982 1.00 0.00 C ATOM 520 CH2 TRP A 683 -4.470 -14.825 -17.854 1.00 0.00 C ATOM 0 H TRP A 683 -8.615 -11.388 -17.554 1.00 0.00 H new ATOM 0 HA TRP A 683 -8.923 -12.797 -20.105 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.532 -13.229 -17.582 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -10.186 -14.368 -18.869 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -9.608 -14.666 -15.621 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -7.281 -15.389 -14.814 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -6.908 -13.568 -19.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -4.701 -15.537 -15.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -4.509 -14.078 -19.867 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.409 -15.024 -17.879 1.00 0.00 H new ATOM 531 N GLN A 684 -11.110 -11.870 -20.927 1.00 0.00 N ATOM 532 CA GLN A 684 -12.318 -11.243 -21.492 1.00 0.00 C ATOM 533 C GLN A 684 -12.969 -12.183 -22.505 1.00 0.00 C ATOM 534 O GLN A 684 -12.301 -13.039 -23.034 1.00 0.00 O ATOM 535 CB GLN A 684 -11.960 -9.878 -22.159 1.00 0.00 C ATOM 536 CG GLN A 684 -13.045 -8.777 -21.972 1.00 0.00 C ATOM 537 CD GLN A 684 -12.506 -7.542 -21.261 1.00 0.00 C ATOM 538 OE1 GLN A 684 -12.121 -6.571 -21.884 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.388 -7.618 -19.950 1.00 0.00 N ATOM 0 H GLN A 684 -10.625 -12.489 -21.577 1.00 0.00 H new ATOM 0 HA GLN A 684 -13.028 -11.054 -20.687 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -11.018 -9.519 -21.745 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.799 -10.038 -23.225 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -13.437 -8.489 -22.947 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -13.879 -9.186 -21.401 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -12.720 -8.446 -19.455 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -11.964 -6.849 -19.431 1.00 0.00 H new ATOM 548 N HIS A 685 -14.286 -12.041 -22.736 1.00 0.00 N ATOM 549 CA HIS A 685 -14.983 -12.772 -23.815 1.00 0.00 C ATOM 550 C HIS A 685 -14.619 -12.170 -25.179 1.00 0.00 C ATOM 551 O HIS A 685 -14.453 -10.944 -25.289 1.00 0.00 O ATOM 552 CB HIS A 685 -16.524 -12.749 -23.643 1.00 0.00 C ATOM 553 CG HIS A 685 -17.071 -13.579 -22.503 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.921 -13.016 -21.600 1.00 0.00 N ATOM 555 CD2 HIS A 685 -16.918 -14.899 -22.213 1.00 0.00 C ATOM 556 CE1 HIS A 685 -18.286 -13.989 -20.793 1.00 0.00 C ATOM 557 NE2 HIS A 685 -17.703 -15.154 -21.120 1.00 0.00 N ATOM 0 H HIS A 685 -14.891 -11.427 -22.191 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.655 -13.810 -23.760 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.839 -11.716 -23.499 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -16.980 -13.095 -24.571 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -16.298 -15.608 -22.742 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -18.971 -13.866 -19.968 1.00 0.00 H new ATOM 0 HE2 HIS A 685 -17.821 -16.050 -20.648 1.00 0.00 H new ATOM 565 N ALA A 686 -14.522 -13.036 -26.204 1.00 0.00 N ATOM 566 CA ALA A 686 -14.258 -12.611 -27.581 1.00 0.00 C ATOM 567 C ALA A 686 -15.370 -11.661 -28.077 1.00 0.00 C ATOM 568 O ALA A 686 -15.092 -10.554 -28.520 1.00 0.00 O ATOM 569 CB ALA A 686 -14.126 -13.837 -28.494 1.00 0.00 C ATOM 0 H ALA A 686 -14.625 -14.045 -26.097 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.316 -12.063 -27.608 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -13.930 -13.511 -29.515 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -13.302 -14.461 -28.148 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -15.052 -14.411 -28.468 1.00 0.00 H new ATOM 575 N LYS A 687 -16.639 -12.091 -27.930 1.00 0.00 N ATOM 576 CA LYS A 687 -17.819 -11.321 -28.404 1.00 0.00 C ATOM 577 C LYS A 687 -18.059 -10.039 -27.573 1.00 0.00 C ATOM 578 O LYS A 687 -18.757 -9.131 -28.032 1.00 0.00 O ATOM 579 CB LYS A 687 -19.096 -12.229 -28.445 1.00 0.00 C ATOM 580 CG LYS A 687 -19.295 -13.017 -29.772 1.00 0.00 C ATOM 581 CD LYS A 687 -18.112 -13.948 -30.134 1.00 0.00 C ATOM 582 CE LYS A 687 -18.305 -14.672 -31.476 1.00 0.00 C ATOM 583 NZ LYS A 687 -19.515 -15.530 -31.493 1.00 0.00 N ATOM 0 H LYS A 687 -16.880 -12.976 -27.483 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.603 -10.992 -29.421 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -19.045 -12.940 -27.621 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -19.974 -11.605 -28.274 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -20.204 -13.614 -29.695 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -19.447 -12.307 -30.585 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -17.194 -13.361 -30.173 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -17.984 -14.688 -29.344 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -18.376 -13.934 -32.275 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -17.427 -15.284 -31.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -19.553 -16.060 -32.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -19.478 -16.198 -30.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -20.364 -14.935 -31.407 1.00 0.00 H new ATOM 597 N CYS A 688 -17.462 -9.961 -26.364 1.00 0.00 N ATOM 598 CA CYS A 688 -17.530 -8.745 -25.510 1.00 0.00 C ATOM 599 C CYS A 688 -16.588 -7.639 -26.016 1.00 0.00 C ATOM 600 O CYS A 688 -16.711 -6.484 -25.609 1.00 0.00 O ATOM 601 CB CYS A 688 -17.210 -9.077 -24.040 1.00 0.00 C ATOM 602 SG CYS A 688 -18.560 -9.929 -23.181 1.00 0.00 S ATOM 0 H CYS A 688 -16.926 -10.725 -25.953 1.00 0.00 H new ATOM 0 HA CYS A 688 -18.553 -8.374 -25.570 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -16.316 -9.700 -24.003 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -16.978 -8.154 -23.509 1.00 0.00 H new ATOM 0 HG CYS A 688 -18.382 -9.839 -21.896 1.00 0.00 H new ATOM 607 N VAL A 689 -15.616 -8.010 -26.875 1.00 0.00 N ATOM 608 CA VAL A 689 -14.662 -7.060 -27.488 1.00 0.00 C ATOM 609 C VAL A 689 -14.820 -7.070 -29.032 1.00 0.00 C ATOM 610 O VAL A 689 -13.922 -6.627 -29.757 1.00 0.00 O ATOM 611 CB VAL A 689 -13.170 -7.381 -27.047 1.00 0.00 C ATOM 612 CG1 VAL A 689 -13.028 -7.333 -25.508 1.00 0.00 C ATOM 613 CG2 VAL A 689 -12.667 -8.742 -27.589 1.00 0.00 C ATOM 0 H VAL A 689 -15.470 -8.977 -27.164 1.00 0.00 H new ATOM 0 HA VAL A 689 -14.889 -6.056 -27.131 1.00 0.00 H new ATOM 0 HB VAL A 689 -12.543 -6.606 -27.488 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -11.998 -7.556 -25.231 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -13.293 -6.339 -25.149 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -13.693 -8.070 -25.058 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -11.642 -8.910 -27.257 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -13.306 -9.542 -27.213 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -12.699 -8.734 -28.679 1.00 0.00 H new ATOM 623 N ASN A 690 -16.002 -7.571 -29.502 1.00 0.00 N ATOM 624 CA ASN A 690 -16.404 -7.659 -30.946 1.00 0.00 C ATOM 625 C ASN A 690 -15.557 -8.675 -31.759 1.00 0.00 C ATOM 626 O ASN A 690 -15.717 -8.797 -32.978 1.00 0.00 O ATOM 627 CB ASN A 690 -16.415 -6.256 -31.648 1.00 0.00 C ATOM 628 CG ASN A 690 -17.477 -5.289 -31.112 1.00 0.00 C ATOM 629 OD1 ASN A 690 -17.854 -5.331 -29.944 1.00 0.00 O ATOM 630 ND2 ASN A 690 -17.972 -4.409 -31.968 1.00 0.00 N ATOM 0 H ASN A 690 -16.720 -7.934 -28.875 1.00 0.00 H new ATOM 0 HA ASN A 690 -17.426 -8.037 -30.934 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -15.433 -5.798 -31.533 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -16.577 -6.399 -32.716 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -18.684 -3.745 -31.663 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -17.642 -4.395 -32.933 1.00 0.00 H new ATOM 637 N TYR A 691 -14.696 -9.418 -31.065 1.00 0.00 N ATOM 638 CA TYR A 691 -13.790 -10.427 -31.647 1.00 0.00 C ATOM 639 C TYR A 691 -14.517 -11.796 -31.701 1.00 0.00 C ATOM 640 O TYR A 691 -15.627 -11.930 -31.175 1.00 0.00 O ATOM 641 CB TYR A 691 -12.507 -10.458 -30.758 1.00 0.00 C ATOM 642 CG TYR A 691 -11.263 -11.146 -31.346 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.471 -10.509 -32.308 1.00 0.00 C ATOM 644 CD2 TYR A 691 -10.853 -12.401 -30.907 1.00 0.00 C ATOM 645 CE1 TYR A 691 -9.337 -11.112 -32.811 1.00 0.00 C ATOM 646 CE2 TYR A 691 -9.724 -13.001 -31.408 1.00 0.00 C ATOM 647 CZ TYR A 691 -8.968 -12.353 -32.351 1.00 0.00 C ATOM 648 OH TYR A 691 -7.850 -12.962 -32.857 1.00 0.00 O ATOM 0 H TYR A 691 -14.601 -9.338 -30.053 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.503 -10.186 -32.670 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -12.241 -9.430 -30.513 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -12.757 -10.955 -29.821 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -10.753 -9.528 -32.663 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -11.435 -12.914 -30.156 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -8.743 -10.612 -33.562 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -9.432 -13.981 -31.060 1.00 0.00 H new ATOM 0 HH TYR A 691 -7.055 -12.448 -32.604 1.00 0.00 H new ATOM 658 N ASP A 692 -13.914 -12.809 -32.343 1.00 0.00 N ATOM 659 CA ASP A 692 -14.508 -14.172 -32.425 1.00 0.00 C ATOM 660 C ASP A 692 -13.453 -15.246 -32.121 1.00 0.00 C ATOM 661 O ASP A 692 -12.275 -14.937 -31.938 1.00 0.00 O ATOM 662 CB ASP A 692 -15.185 -14.414 -33.805 1.00 0.00 C ATOM 663 CG ASP A 692 -14.223 -14.349 -35.010 1.00 0.00 C ATOM 664 OD1 ASP A 692 -13.458 -15.312 -35.227 1.00 0.00 O ATOM 665 OD2 ASP A 692 -14.246 -13.342 -35.755 1.00 0.00 O ATOM 0 H ASP A 692 -13.015 -12.720 -32.816 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.287 -14.244 -31.666 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -15.666 -15.392 -33.793 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -15.972 -13.673 -33.944 1.00 0.00 H new ATOM 670 N GLU A 693 -13.889 -16.520 -32.079 1.00 0.00 N ATOM 671 CA GLU A 693 -13.018 -17.642 -31.679 1.00 0.00 C ATOM 672 C GLU A 693 -12.218 -18.205 -32.868 1.00 0.00 C ATOM 673 O GLU A 693 -11.118 -18.737 -32.663 1.00 0.00 O ATOM 674 CB GLU A 693 -13.827 -18.734 -30.923 1.00 0.00 C ATOM 675 CG GLU A 693 -15.024 -19.358 -31.683 1.00 0.00 C ATOM 676 CD GLU A 693 -14.681 -20.662 -32.426 1.00 0.00 C ATOM 677 OE1 GLU A 693 -14.650 -21.728 -31.784 1.00 0.00 O ATOM 678 OE2 GLU A 693 -14.433 -20.627 -33.647 1.00 0.00 O ATOM 0 H GLU A 693 -14.841 -16.798 -32.318 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.276 -17.256 -30.980 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.142 -19.536 -30.647 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -14.200 -18.301 -29.995 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -15.828 -19.556 -30.974 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -15.404 -18.632 -32.401 1.00 0.00 H new ATOM 685 N LYS A 694 -12.738 -18.041 -34.105 1.00 0.00 N ATOM 686 CA LYS A 694 -12.065 -18.543 -35.335 1.00 0.00 C ATOM 687 C LYS A 694 -10.631 -17.987 -35.422 1.00 0.00 C ATOM 688 O LYS A 694 -9.664 -18.741 -35.591 1.00 0.00 O ATOM 689 CB LYS A 694 -12.842 -18.172 -36.642 1.00 0.00 C ATOM 690 CG LYS A 694 -14.197 -18.889 -36.857 1.00 0.00 C ATOM 691 CD LYS A 694 -15.328 -18.402 -35.925 1.00 0.00 C ATOM 692 CE LYS A 694 -16.632 -19.198 -36.121 1.00 0.00 C ATOM 693 NZ LYS A 694 -16.446 -20.645 -35.843 1.00 0.00 N ATOM 0 H LYS A 694 -13.622 -17.565 -34.283 1.00 0.00 H new ATOM 0 HA LYS A 694 -12.045 -19.630 -35.259 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.019 -17.097 -36.642 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -12.200 -18.389 -37.496 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -14.509 -18.749 -37.892 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -14.056 -19.960 -36.709 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -15.004 -18.490 -34.888 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -15.519 -17.345 -36.111 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -17.403 -18.798 -35.463 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -16.986 -19.068 -37.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -17.350 -21.059 -35.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -16.120 -21.125 -36.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -15.738 -20.766 -35.091 1.00 0.00 H new ATOM 707 N ASN A 695 -10.505 -16.660 -35.268 1.00 0.00 N ATOM 708 CA ASN A 695 -9.197 -15.969 -35.286 1.00 0.00 C ATOM 709 C ASN A 695 -8.509 -15.960 -33.901 1.00 0.00 C ATOM 710 O ASN A 695 -7.359 -15.575 -33.808 1.00 0.00 O ATOM 711 CB ASN A 695 -9.317 -14.532 -35.890 1.00 0.00 C ATOM 712 CG ASN A 695 -10.528 -13.711 -35.431 1.00 0.00 C ATOM 713 OD1 ASN A 695 -11.037 -12.886 -36.181 1.00 0.00 O ATOM 714 ND2 ASN A 695 -10.994 -13.897 -34.206 1.00 0.00 N ATOM 0 H ASN A 695 -11.299 -16.035 -35.128 1.00 0.00 H new ATOM 0 HA ASN A 695 -8.547 -16.546 -35.943 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -8.412 -13.978 -35.642 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -9.351 -14.617 -36.976 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -11.788 -13.350 -33.874 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -10.559 -14.588 -33.594 1.00 0.00 H new ATOM 721 N LEU A 696 -9.212 -16.408 -32.842 1.00 0.00 N ATOM 722 CA LEU A 696 -8.628 -16.546 -31.476 1.00 0.00 C ATOM 723 C LEU A 696 -7.538 -17.641 -31.492 1.00 0.00 C ATOM 724 O LEU A 696 -6.463 -17.478 -30.912 1.00 0.00 O ATOM 725 CB LEU A 696 -9.770 -16.878 -30.461 1.00 0.00 C ATOM 726 CG LEU A 696 -9.519 -16.733 -28.913 1.00 0.00 C ATOM 727 CD1 LEU A 696 -10.867 -16.783 -28.151 1.00 0.00 C ATOM 728 CD2 LEU A 696 -8.550 -17.803 -28.346 1.00 0.00 C ATOM 0 H LEU A 696 -10.192 -16.684 -32.899 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.159 -15.613 -31.164 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.620 -16.244 -30.712 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -10.076 -17.908 -30.644 1.00 0.00 H new ATOM 0 HG LEU A 696 -9.038 -15.766 -28.764 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -10.684 -16.682 -27.081 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -11.506 -15.967 -28.488 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -11.360 -17.735 -28.346 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -8.421 -17.646 -27.275 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -8.963 -18.797 -28.520 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -7.584 -17.720 -28.844 1.00 0.00 H new ATOM 740 N LYS A 697 -7.826 -18.746 -32.201 1.00 0.00 N ATOM 741 CA LYS A 697 -6.903 -19.904 -32.322 1.00 0.00 C ATOM 742 C LYS A 697 -5.716 -19.649 -33.288 1.00 0.00 C ATOM 743 O LYS A 697 -4.921 -20.568 -33.522 1.00 0.00 O ATOM 744 CB LYS A 697 -7.692 -21.202 -32.724 1.00 0.00 C ATOM 745 CG LYS A 697 -8.319 -21.981 -31.528 1.00 0.00 C ATOM 746 CD LYS A 697 -9.596 -21.319 -30.940 1.00 0.00 C ATOM 747 CE LYS A 697 -10.857 -21.616 -31.782 1.00 0.00 C ATOM 748 NZ LYS A 697 -11.256 -23.041 -31.733 1.00 0.00 N ATOM 0 H LYS A 697 -8.702 -18.868 -32.708 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.460 -20.049 -31.337 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -8.487 -20.927 -33.417 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -7.017 -21.869 -33.261 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -8.564 -22.992 -31.855 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.574 -22.074 -30.738 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -9.750 -21.676 -29.922 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -9.448 -20.241 -30.881 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -11.681 -21.000 -31.423 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.673 -21.330 -32.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.220 -23.145 -32.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -10.598 -23.606 -32.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -11.230 -23.375 -30.749 1.00 0.00 H new ATOM 762 N ILE A 698 -5.560 -18.416 -33.825 1.00 0.00 N ATOM 763 CA ILE A 698 -4.451 -18.083 -34.769 1.00 0.00 C ATOM 764 C ILE A 698 -3.910 -16.645 -34.548 1.00 0.00 C ATOM 765 O ILE A 698 -2.729 -16.463 -34.243 1.00 0.00 O ATOM 766 CB ILE A 698 -4.871 -18.302 -36.292 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.327 -17.800 -36.532 1.00 0.00 C ATOM 768 CG2 ILE A 698 -4.710 -19.784 -36.737 1.00 0.00 C ATOM 769 CD1 ILE A 698 -6.888 -18.054 -37.916 1.00 0.00 C ATOM 0 H ILE A 698 -6.183 -17.633 -33.625 1.00 0.00 H new ATOM 0 HA ILE A 698 -3.643 -18.780 -34.547 1.00 0.00 H new ATOM 0 HB ILE A 698 -4.192 -17.712 -36.908 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -6.981 -18.276 -35.802 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -6.359 -16.728 -36.338 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -5.008 -19.885 -37.781 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -3.669 -20.086 -36.626 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -5.341 -20.421 -36.117 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -7.905 -17.665 -37.973 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -6.266 -17.554 -38.658 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -6.898 -19.126 -38.114 1.00 0.00 H new ATOM 781 N LYS A 699 -4.772 -15.635 -34.722 1.00 0.00 N ATOM 782 CA LYS A 699 -4.399 -14.205 -34.656 1.00 0.00 C ATOM 783 C LYS A 699 -4.407 -13.654 -33.207 1.00 0.00 C ATOM 784 O LYS A 699 -5.072 -14.223 -32.338 1.00 0.00 O ATOM 785 CB LYS A 699 -5.376 -13.419 -35.567 1.00 0.00 C ATOM 786 CG LYS A 699 -5.221 -13.796 -37.055 1.00 0.00 C ATOM 787 CD LYS A 699 -6.401 -13.349 -37.934 1.00 0.00 C ATOM 788 CE LYS A 699 -6.604 -11.828 -37.927 1.00 0.00 C ATOM 789 NZ LYS A 699 -7.627 -11.402 -38.910 1.00 0.00 N ATOM 0 H LYS A 699 -5.762 -15.784 -34.915 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.373 -14.085 -35.005 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.401 -13.613 -35.250 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -5.202 -12.350 -35.445 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -4.304 -13.350 -37.440 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -5.108 -14.877 -37.137 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -6.233 -13.684 -38.958 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -7.312 -13.834 -37.585 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -6.903 -11.506 -36.929 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -5.658 -11.335 -38.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -7.734 -10.368 -38.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -7.330 -11.686 -39.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -8.536 -11.852 -38.682 1.00 0.00 H new ATOM 803 N PRO A 700 -3.630 -12.543 -32.932 1.00 0.00 N ATOM 804 CA PRO A 700 -3.585 -11.860 -31.596 1.00 0.00 C ATOM 805 C PRO A 700 -4.965 -11.360 -31.100 1.00 0.00 C ATOM 806 O PRO A 700 -5.862 -11.080 -31.896 1.00 0.00 O ATOM 807 CB PRO A 700 -2.621 -10.659 -31.847 1.00 0.00 C ATOM 808 CG PRO A 700 -2.631 -10.485 -33.339 1.00 0.00 C ATOM 809 CD PRO A 700 -2.696 -11.878 -33.889 1.00 0.00 C ATOM 0 HA PRO A 700 -3.260 -12.544 -30.812 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.966 -9.759 -31.339 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -1.618 -10.870 -31.477 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -3.487 -9.892 -33.662 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -1.736 -9.966 -33.682 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -3.076 -11.897 -34.910 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.717 -12.357 -33.904 1.00 0.00 H new ATOM 817 N PHE A 701 -5.096 -11.226 -29.770 1.00 0.00 N ATOM 818 CA PHE A 701 -6.356 -10.840 -29.103 1.00 0.00 C ATOM 819 C PHE A 701 -6.058 -10.095 -27.789 1.00 0.00 C ATOM 820 O PHE A 701 -5.221 -10.537 -26.990 1.00 0.00 O ATOM 821 CB PHE A 701 -7.243 -12.097 -28.855 1.00 0.00 C ATOM 822 CG PHE A 701 -6.491 -13.349 -28.373 1.00 0.00 C ATOM 823 CD1 PHE A 701 -6.240 -13.575 -27.023 1.00 0.00 C ATOM 824 CD2 PHE A 701 -6.037 -14.299 -29.287 1.00 0.00 C ATOM 825 CE1 PHE A 701 -5.556 -14.705 -26.609 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.356 -15.422 -28.869 1.00 0.00 C ATOM 827 CZ PHE A 701 -5.118 -15.627 -27.531 1.00 0.00 C ATOM 0 H PHE A 701 -4.326 -11.383 -29.120 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.910 -10.163 -29.753 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -8.004 -11.844 -28.117 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -7.765 -12.341 -29.780 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -6.583 -12.860 -26.290 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -6.222 -14.152 -30.341 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -5.365 -14.863 -25.558 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -5.009 -16.143 -29.595 1.00 0.00 H new ATOM 0 HZ PHE A 701 -4.588 -16.510 -27.204 1.00 0.00 H new ATOM 837 N TYR A 702 -6.741 -8.949 -27.573 1.00 0.00 N ATOM 838 CA TYR A 702 -6.474 -8.043 -26.429 1.00 0.00 C ATOM 839 C TYR A 702 -7.783 -7.513 -25.814 1.00 0.00 C ATOM 840 O TYR A 702 -8.857 -7.615 -26.410 1.00 0.00 O ATOM 841 CB TYR A 702 -5.588 -6.838 -26.876 1.00 0.00 C ATOM 842 CG TYR A 702 -4.281 -7.246 -27.567 1.00 0.00 C ATOM 843 CD1 TYR A 702 -3.199 -7.745 -26.836 1.00 0.00 C ATOM 844 CD2 TYR A 702 -4.138 -7.153 -28.956 1.00 0.00 C ATOM 845 CE1 TYR A 702 -2.033 -8.135 -27.462 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.973 -7.542 -29.583 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.922 -8.030 -28.833 1.00 0.00 C ATOM 848 OH TYR A 702 -0.755 -8.411 -29.461 1.00 0.00 O ATOM 0 H TYR A 702 -7.491 -8.625 -28.184 1.00 0.00 H new ATOM 0 HA TYR A 702 -5.944 -8.623 -25.674 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -6.164 -6.209 -27.554 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -5.351 -6.231 -26.002 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -3.277 -7.827 -25.762 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -4.956 -6.769 -29.548 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -1.209 -8.521 -26.880 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -2.883 -7.465 -30.657 1.00 0.00 H new ATOM 0 HH TYR A 702 -0.844 -8.274 -30.427 1.00 0.00 H new ATOM 858 N CYS A 703 -7.661 -6.954 -24.596 1.00 0.00 N ATOM 859 CA CYS A 703 -8.760 -6.234 -23.922 1.00 0.00 C ATOM 860 C CYS A 703 -8.748 -4.752 -24.385 1.00 0.00 C ATOM 861 O CYS A 703 -7.653 -4.220 -24.649 1.00 0.00 O ATOM 862 CB CYS A 703 -8.611 -6.341 -22.375 1.00 0.00 C ATOM 863 SG CYS A 703 -7.320 -5.279 -21.634 1.00 0.00 S ATOM 0 H CYS A 703 -6.799 -6.988 -24.051 1.00 0.00 H new ATOM 0 HA CYS A 703 -9.716 -6.683 -24.191 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -9.568 -6.093 -21.917 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -8.395 -7.378 -22.119 1.00 0.00 H new ATOM 0 HG CYS A 703 -6.468 -6.018 -20.987 1.00 0.00 H new ATOM 868 N PRO A 704 -9.943 -4.064 -24.486 1.00 0.00 N ATOM 869 CA PRO A 704 -10.061 -2.672 -25.020 1.00 0.00 C ATOM 870 C PRO A 704 -9.159 -1.643 -24.309 1.00 0.00 C ATOM 871 O PRO A 704 -8.726 -0.682 -24.934 1.00 0.00 O ATOM 872 CB PRO A 704 -11.573 -2.329 -24.843 1.00 0.00 C ATOM 873 CG PRO A 704 -12.089 -3.343 -23.865 1.00 0.00 C ATOM 874 CD PRO A 704 -11.284 -4.586 -24.120 1.00 0.00 C ATOM 0 HA PRO A 704 -9.722 -2.624 -26.055 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -11.706 -1.315 -24.467 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -12.105 -2.390 -25.792 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -11.965 -2.998 -22.839 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -13.153 -3.526 -24.013 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -11.239 -5.223 -23.237 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -11.714 -5.185 -24.923 1.00 0.00 H new ATOM 882 N HIS A 705 -8.876 -1.878 -23.012 1.00 0.00 N ATOM 883 CA HIS A 705 -7.987 -1.016 -22.200 1.00 0.00 C ATOM 884 C HIS A 705 -6.580 -0.911 -22.854 1.00 0.00 C ATOM 885 O HIS A 705 -6.026 0.184 -22.973 1.00 0.00 O ATOM 886 CB HIS A 705 -7.889 -1.582 -20.753 1.00 0.00 C ATOM 887 CG HIS A 705 -7.321 -0.628 -19.710 1.00 0.00 C ATOM 888 ND1 HIS A 705 -7.833 -0.537 -18.435 1.00 0.00 N ATOM 889 CD2 HIS A 705 -6.277 0.249 -19.741 1.00 0.00 C ATOM 890 CE1 HIS A 705 -7.137 0.342 -17.741 1.00 0.00 C ATOM 891 NE2 HIS A 705 -6.191 0.828 -18.508 1.00 0.00 N ATOM 0 H HIS A 705 -9.257 -2.671 -22.496 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.407 -0.011 -22.155 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -8.885 -1.889 -20.434 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -7.270 -2.479 -20.774 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -5.636 0.449 -20.587 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -7.316 0.616 -16.712 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -5.502 1.526 -18.228 1.00 0.00 H new ATOM 900 N CYS A 706 -6.036 -2.065 -23.295 1.00 0.00 N ATOM 901 CA CYS A 706 -4.721 -2.125 -23.979 1.00 0.00 C ATOM 902 C CYS A 706 -4.786 -1.495 -25.376 1.00 0.00 C ATOM 903 O CYS A 706 -3.793 -0.955 -25.845 1.00 0.00 O ATOM 904 CB CYS A 706 -4.199 -3.572 -24.078 1.00 0.00 C ATOM 905 SG CYS A 706 -3.742 -4.294 -22.475 1.00 0.00 S ATOM 0 H CYS A 706 -6.488 -2.973 -23.190 1.00 0.00 H new ATOM 0 HA CYS A 706 -4.023 -1.549 -23.371 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -4.964 -4.194 -24.542 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -3.330 -3.591 -24.736 1.00 0.00 H new ATOM 0 HG CYS A 706 -3.939 -5.579 -22.506 1.00 0.00 H new ATOM 910 N LEU A 707 -5.958 -1.576 -26.036 1.00 0.00 N ATOM 911 CA LEU A 707 -6.160 -0.971 -27.369 1.00 0.00 C ATOM 912 C LEU A 707 -6.053 0.568 -27.272 1.00 0.00 C ATOM 913 O LEU A 707 -5.429 1.206 -28.118 1.00 0.00 O ATOM 914 CB LEU A 707 -7.525 -1.404 -27.964 1.00 0.00 C ATOM 915 CG LEU A 707 -7.720 -2.947 -28.181 1.00 0.00 C ATOM 916 CD1 LEU A 707 -9.146 -3.263 -28.679 1.00 0.00 C ATOM 917 CD2 LEU A 707 -6.657 -3.534 -29.142 1.00 0.00 C ATOM 0 H LEU A 707 -6.780 -2.055 -25.668 1.00 0.00 H new ATOM 0 HA LEU A 707 -5.379 -1.326 -28.042 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -8.316 -1.046 -27.305 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -7.657 -0.902 -28.923 1.00 0.00 H new ATOM 0 HG LEU A 707 -7.583 -3.427 -27.212 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -9.252 -4.339 -28.820 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -9.873 -2.921 -27.942 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -9.322 -2.753 -29.626 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -6.828 -4.603 -29.264 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -6.731 -3.041 -30.111 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -5.662 -3.371 -28.727 1.00 0.00 H new ATOM 929 N VAL A 708 -6.641 1.130 -26.194 1.00 0.00 N ATOM 930 CA VAL A 708 -6.569 2.574 -25.881 1.00 0.00 C ATOM 931 C VAL A 708 -5.127 2.971 -25.476 1.00 0.00 C ATOM 932 O VAL A 708 -4.642 4.054 -25.834 1.00 0.00 O ATOM 933 CB VAL A 708 -7.585 2.963 -24.732 1.00 0.00 C ATOM 934 CG1 VAL A 708 -7.556 4.485 -24.443 1.00 0.00 C ATOM 935 CG2 VAL A 708 -9.025 2.496 -25.076 1.00 0.00 C ATOM 0 H VAL A 708 -7.180 0.594 -25.514 1.00 0.00 H new ATOM 0 HA VAL A 708 -6.847 3.124 -26.780 1.00 0.00 H new ATOM 0 HB VAL A 708 -7.268 2.445 -23.827 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -8.265 4.718 -23.649 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -6.553 4.777 -24.131 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -7.829 5.032 -25.345 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -9.701 2.777 -24.269 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -9.350 2.970 -26.002 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -9.037 1.413 -25.199 1.00 0.00 H new ATOM 945 N ALA A 709 -4.457 2.064 -24.745 1.00 0.00 N ATOM 946 CA ALA A 709 -3.096 2.281 -24.209 1.00 0.00 C ATOM 947 C ALA A 709 -2.016 2.237 -25.317 1.00 0.00 C ATOM 948 O ALA A 709 -0.969 2.884 -25.193 1.00 0.00 O ATOM 949 CB ALA A 709 -2.790 1.249 -23.108 1.00 0.00 C ATOM 0 H ALA A 709 -4.845 1.151 -24.506 1.00 0.00 H new ATOM 0 HA ALA A 709 -3.068 3.282 -23.779 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -1.785 1.418 -22.720 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -3.513 1.354 -22.300 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -2.854 0.243 -23.524 1.00 0.00 H new ATOM 955 N MET A 710 -2.278 1.455 -26.387 1.00 0.00 N ATOM 956 CA MET A 710 -1.363 1.330 -27.545 1.00 0.00 C ATOM 957 C MET A 710 -1.563 2.495 -28.523 1.00 0.00 C ATOM 958 O MET A 710 -0.595 2.987 -29.117 1.00 0.00 O ATOM 959 CB MET A 710 -1.563 -0.023 -28.279 1.00 0.00 C ATOM 960 CG MET A 710 -1.098 -1.258 -27.490 1.00 0.00 C ATOM 961 SD MET A 710 -1.268 -2.801 -28.419 1.00 0.00 S ATOM 962 CE MET A 710 -3.037 -2.903 -28.678 1.00 0.00 C ATOM 0 H MET A 710 -3.126 0.894 -26.473 1.00 0.00 H new ATOM 0 HA MET A 710 -0.343 1.362 -27.163 1.00 0.00 H new ATOM 0 HB2 MET A 710 -2.620 -0.138 -28.518 1.00 0.00 H new ATOM 0 HB3 MET A 710 -1.024 0.010 -29.226 1.00 0.00 H new ATOM 0 HG2 MET A 710 -0.055 -1.127 -27.204 1.00 0.00 H new ATOM 0 HG3 MET A 710 -1.675 -1.331 -26.568 1.00 0.00 H new ATOM 0 HE1 MET A 710 -3.294 -3.897 -29.044 1.00 0.00 H new ATOM 0 HE2 MET A 710 -3.554 -2.718 -27.736 1.00 0.00 H new ATOM 0 HE3 MET A 710 -3.341 -2.156 -29.412 1.00 0.00 H new