USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=13 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= 0.442 USER MOD Set 1.2: A 680 CYS SG : rot -60:sc= -4.02! USER MOD Set 1.3: A 703 CYS SG : rot -121:sc= 0.303 USER MOD Set 1.4: A 706 CYS SG : rot 143:sc= 0.304 USER MOD Set 2.1: A 691 TYR OH : rot -113:sc= 0.343 USER MOD Set 2.2: A 695 ASN : amide:sc= -0.356 X(o=-0.013,f=0.088) USER MOD Set 3.1: A 661 CYS SG : rot 177:sc= -2.85! USER MOD Set 3.2: A 663 CYS SG : rot -63:sc= -0.182 USER MOD Set 3.3: A 685 HIS : no HD1:sc= 0.898 K(o=-5.8,f=-10!) USER MOD Set 3.4: A 688 CYS SG : rot -140:sc= -3.72! USER MOD Single : A 668 GLN : amide:sc= -1.05 K(o=-1,f=-4.9!) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.026) USER MOD Single : A 679 LYS NZ :NH3+ -145:sc= 0.454 (180deg=0.0719) USER MOD Single : A 681 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 684 GLN : amide:sc= -4.32! K(o=-4.3!,f=-3.2) USER MOD Single : A 687 LYS NZ :NH3+ -123:sc= 0.923 (180deg=-0.0374) USER MOD Single : A 690 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 694 LYS NZ :NH3+ 164:sc= 0.164 (180deg=-0.0605) USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 710 MET CE :methyl -174:sc= -0.536 (180deg=-0.64) USER MOD ----------------------------------------------------------------- ATOM 93 N ARG A 658 -7.592 -8.512 -10.260 1.00 0.00 N ATOM 94 CA ARG A 658 -8.961 -9.040 -10.423 1.00 0.00 C ATOM 95 C ARG A 658 -9.259 -9.182 -11.924 1.00 0.00 C ATOM 96 O ARG A 658 -9.936 -8.338 -12.533 1.00 0.00 O ATOM 97 CB ARG A 658 -10.012 -8.120 -9.711 1.00 0.00 C ATOM 98 CG ARG A 658 -9.727 -7.841 -8.207 1.00 0.00 C ATOM 99 CD ARG A 658 -8.651 -6.754 -7.969 1.00 0.00 C ATOM 100 NE ARG A 658 -8.115 -6.790 -6.597 1.00 0.00 N ATOM 101 CZ ARG A 658 -7.646 -5.741 -5.911 1.00 0.00 C ATOM 102 NH1 ARG A 658 -7.696 -4.512 -6.411 1.00 0.00 N ATOM 103 NH2 ARG A 658 -7.115 -5.936 -4.717 1.00 0.00 N ATOM 0 HA ARG A 658 -9.033 -10.019 -9.949 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -10.057 -7.168 -10.240 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -10.996 -8.581 -9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -10.654 -7.535 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -9.407 -8.767 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -7.836 -6.891 -8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -9.081 -5.771 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 658 -8.100 -7.696 -6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -8.098 -4.353 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -7.333 -3.727 -5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -7.066 -6.878 -4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -6.754 -5.145 -4.184 1.00 0.00 H new ATOM 117 N PHE A 659 -8.691 -10.239 -12.524 1.00 0.00 N ATOM 118 CA PHE A 659 -8.741 -10.466 -13.978 1.00 0.00 C ATOM 119 C PHE A 659 -10.059 -11.153 -14.408 1.00 0.00 C ATOM 120 O PHE A 659 -10.190 -12.381 -14.364 1.00 0.00 O ATOM 121 CB PHE A 659 -7.464 -11.223 -14.492 1.00 0.00 C ATOM 122 CG PHE A 659 -6.871 -12.263 -13.535 1.00 0.00 C ATOM 123 CD1 PHE A 659 -7.375 -13.559 -13.462 1.00 0.00 C ATOM 124 CD2 PHE A 659 -5.805 -11.933 -12.693 1.00 0.00 C ATOM 125 CE1 PHE A 659 -6.835 -14.489 -12.591 1.00 0.00 C ATOM 126 CE2 PHE A 659 -5.270 -12.861 -11.819 1.00 0.00 C ATOM 127 CZ PHE A 659 -5.784 -14.137 -11.767 1.00 0.00 C ATOM 0 H PHE A 659 -8.183 -10.962 -12.015 1.00 0.00 H new ATOM 0 HA PHE A 659 -8.735 -9.489 -14.462 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.713 -11.721 -15.429 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.694 -10.485 -14.718 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -8.202 -13.843 -14.096 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -5.392 -10.936 -12.726 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -7.236 -15.491 -12.556 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -4.448 -12.584 -11.176 1.00 0.00 H new ATOM 0 HZ PHE A 659 -5.366 -14.861 -11.083 1.00 0.00 H new ATOM 137 N GLU A 660 -11.039 -10.318 -14.806 1.00 0.00 N ATOM 138 CA GLU A 660 -12.345 -10.758 -15.327 1.00 0.00 C ATOM 139 C GLU A 660 -12.879 -9.735 -16.355 1.00 0.00 C ATOM 140 O GLU A 660 -12.455 -8.568 -16.372 1.00 0.00 O ATOM 141 CB GLU A 660 -13.354 -10.951 -14.152 1.00 0.00 C ATOM 142 CG GLU A 660 -14.754 -11.453 -14.575 1.00 0.00 C ATOM 143 CD GLU A 660 -15.710 -11.695 -13.395 1.00 0.00 C ATOM 144 OE1 GLU A 660 -16.290 -10.712 -12.876 1.00 0.00 O ATOM 145 OE2 GLU A 660 -15.874 -12.860 -12.970 1.00 0.00 O ATOM 0 H GLU A 660 -10.942 -9.303 -14.773 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.224 -11.716 -15.832 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -12.930 -11.659 -13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -13.467 -10.001 -13.629 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -15.202 -10.724 -15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -14.643 -12.381 -15.136 1.00 0.00 H new ATOM 152 N CYS A 661 -13.801 -10.199 -17.219 1.00 0.00 N ATOM 153 CA CYS A 661 -14.406 -9.403 -18.298 1.00 0.00 C ATOM 154 C CYS A 661 -15.223 -8.197 -17.795 1.00 0.00 C ATOM 155 O CYS A 661 -15.705 -8.189 -16.656 1.00 0.00 O ATOM 156 CB CYS A 661 -15.308 -10.314 -19.134 1.00 0.00 C ATOM 157 SG CYS A 661 -16.028 -9.516 -20.592 1.00 0.00 S ATOM 0 H CYS A 661 -14.152 -11.156 -17.184 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.588 -8.994 -18.891 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.731 -11.180 -19.457 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -16.115 -10.686 -18.502 1.00 0.00 H new ATOM 0 HG CYS A 661 -16.723 -10.385 -21.264 1.00 0.00 H new ATOM 162 N ILE A 662 -15.403 -7.197 -18.688 1.00 0.00 N ATOM 163 CA ILE A 662 -16.170 -5.964 -18.396 1.00 0.00 C ATOM 164 C ILE A 662 -17.676 -6.238 -18.133 1.00 0.00 C ATOM 165 O ILE A 662 -18.327 -5.461 -17.423 1.00 0.00 O ATOM 166 CB ILE A 662 -16.007 -4.895 -19.547 1.00 0.00 C ATOM 167 CG1 ILE A 662 -16.427 -5.490 -20.934 1.00 0.00 C ATOM 168 CG2 ILE A 662 -14.557 -4.332 -19.592 1.00 0.00 C ATOM 169 CD1 ILE A 662 -16.432 -4.497 -22.090 1.00 0.00 C ATOM 0 H ILE A 662 -15.020 -7.222 -19.633 1.00 0.00 H new ATOM 0 HA ILE A 662 -15.746 -5.560 -17.476 1.00 0.00 H new ATOM 0 HB ILE A 662 -16.677 -4.064 -19.325 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -15.750 -6.308 -21.181 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -17.424 -5.920 -20.840 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -14.476 -3.599 -20.394 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -14.322 -3.856 -18.640 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -13.856 -5.147 -19.773 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -16.736 -5.005 -23.005 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -17.132 -3.690 -21.874 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -15.432 -4.084 -22.219 1.00 0.00 H new ATOM 181 N CYS A 663 -18.235 -7.335 -18.697 1.00 0.00 N ATOM 182 CA CYS A 663 -19.653 -7.713 -18.438 1.00 0.00 C ATOM 183 C CYS A 663 -19.781 -8.562 -17.153 1.00 0.00 C ATOM 184 O CYS A 663 -20.898 -8.882 -16.723 1.00 0.00 O ATOM 185 CB CYS A 663 -20.275 -8.459 -19.645 1.00 0.00 C ATOM 186 SG CYS A 663 -19.695 -10.170 -19.889 1.00 0.00 S ATOM 0 H CYS A 663 -17.739 -7.967 -19.325 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.210 -6.787 -18.293 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.358 -8.474 -19.522 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -20.065 -7.889 -20.550 1.00 0.00 H new ATOM 0 HG CYS A 663 -18.422 -10.163 -20.151 1.00 0.00 H new ATOM 191 N GLY A 664 -18.626 -8.929 -16.547 1.00 0.00 N ATOM 192 CA GLY A 664 -18.594 -9.666 -15.272 1.00 0.00 C ATOM 193 C GLY A 664 -19.052 -11.126 -15.359 1.00 0.00 C ATOM 194 O GLY A 664 -19.191 -11.791 -14.328 1.00 0.00 O ATOM 0 H GLY A 664 -17.703 -8.723 -16.928 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -17.577 -9.642 -14.881 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -19.225 -9.145 -14.552 1.00 0.00 H new ATOM 198 N GLU A 665 -19.293 -11.627 -16.581 1.00 0.00 N ATOM 199 CA GLU A 665 -19.832 -12.981 -16.806 1.00 0.00 C ATOM 200 C GLU A 665 -18.708 -14.018 -16.973 1.00 0.00 C ATOM 201 O GLU A 665 -17.540 -13.652 -17.167 1.00 0.00 O ATOM 202 CB GLU A 665 -20.772 -12.972 -18.034 1.00 0.00 C ATOM 203 CG GLU A 665 -21.991 -12.029 -17.892 1.00 0.00 C ATOM 204 CD GLU A 665 -22.883 -12.367 -16.681 1.00 0.00 C ATOM 205 OE1 GLU A 665 -23.727 -13.283 -16.798 1.00 0.00 O ATOM 206 OE2 GLU A 665 -22.728 -11.745 -15.602 1.00 0.00 O ATOM 0 H GLU A 665 -19.120 -11.107 -17.441 1.00 0.00 H new ATOM 0 HA GLU A 665 -20.405 -13.274 -15.926 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -20.200 -12.678 -18.914 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -21.130 -13.986 -18.211 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -21.639 -11.002 -17.800 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -22.590 -12.080 -18.801 1.00 0.00 H new ATOM 213 N LEU A 666 -19.112 -15.306 -16.906 1.00 0.00 N ATOM 214 CA LEU A 666 -18.205 -16.477 -16.944 1.00 0.00 C ATOM 215 C LEU A 666 -17.292 -16.458 -18.172 1.00 0.00 C ATOM 216 O LEU A 666 -17.774 -16.592 -19.295 1.00 0.00 O ATOM 217 CB LEU A 666 -19.015 -17.799 -16.960 1.00 0.00 C ATOM 218 CG LEU A 666 -19.984 -18.043 -15.764 1.00 0.00 C ATOM 219 CD1 LEU A 666 -20.825 -19.317 -16.001 1.00 0.00 C ATOM 220 CD2 LEU A 666 -19.212 -18.120 -14.423 1.00 0.00 C ATOM 0 H LEU A 666 -20.095 -15.566 -16.823 1.00 0.00 H new ATOM 0 HA LEU A 666 -17.591 -16.420 -16.045 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -19.597 -17.830 -17.881 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -18.310 -18.629 -17.001 1.00 0.00 H new ATOM 0 HG LEU A 666 -20.665 -17.194 -15.699 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -21.496 -19.472 -15.156 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -21.410 -19.202 -16.913 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -20.163 -20.177 -16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -19.915 -18.291 -13.608 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -18.496 -18.941 -14.462 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -18.681 -17.183 -14.254 1.00 0.00 H new ATOM 232 N ASP A 667 -15.981 -16.321 -17.951 1.00 0.00 N ATOM 233 CA ASP A 667 -14.982 -16.374 -19.022 1.00 0.00 C ATOM 234 C ASP A 667 -14.550 -17.827 -19.223 1.00 0.00 C ATOM 235 O ASP A 667 -13.467 -18.252 -18.803 1.00 0.00 O ATOM 236 CB ASP A 667 -13.783 -15.427 -18.742 1.00 0.00 C ATOM 237 CG ASP A 667 -14.185 -13.937 -18.776 1.00 0.00 C ATOM 238 OD1 ASP A 667 -14.552 -13.442 -19.870 1.00 0.00 O ATOM 239 OD2 ASP A 667 -14.141 -13.251 -17.719 1.00 0.00 O ATOM 0 H ASP A 667 -15.583 -16.170 -17.024 1.00 0.00 H new ATOM 0 HA ASP A 667 -15.425 -16.012 -19.950 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -13.358 -15.663 -17.766 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -13.002 -15.606 -19.481 1.00 0.00 H new ATOM 244 N GLN A 668 -15.465 -18.593 -19.826 1.00 0.00 N ATOM 245 CA GLN A 668 -15.254 -19.983 -20.241 1.00 0.00 C ATOM 246 C GLN A 668 -15.771 -20.180 -21.669 1.00 0.00 C ATOM 247 O GLN A 668 -16.869 -19.721 -22.010 1.00 0.00 O ATOM 248 CB GLN A 668 -15.973 -20.951 -19.271 1.00 0.00 C ATOM 249 CG GLN A 668 -17.499 -20.697 -19.112 1.00 0.00 C ATOM 250 CD GLN A 668 -18.181 -21.495 -17.992 1.00 0.00 C ATOM 251 OE1 GLN A 668 -19.344 -21.869 -18.106 1.00 0.00 O ATOM 252 NE2 GLN A 668 -17.491 -21.719 -16.884 1.00 0.00 N ATOM 0 H GLN A 668 -16.401 -18.252 -20.045 1.00 0.00 H new ATOM 0 HA GLN A 668 -14.187 -20.202 -20.216 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -15.823 -21.972 -19.621 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -15.502 -20.878 -18.291 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -17.657 -19.634 -18.927 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -17.991 -20.933 -20.056 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -16.525 -21.399 -16.811 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -17.925 -22.211 -16.103 1.00 0.00 H new ATOM 261 N ILE A 669 -14.986 -20.909 -22.471 1.00 0.00 N ATOM 262 CA ILE A 669 -15.294 -21.183 -23.893 1.00 0.00 C ATOM 263 C ILE A 669 -16.449 -22.220 -23.991 1.00 0.00 C ATOM 264 O ILE A 669 -17.116 -22.344 -25.026 1.00 0.00 O ATOM 265 CB ILE A 669 -13.994 -21.658 -24.667 1.00 0.00 C ATOM 266 CG1 ILE A 669 -12.877 -20.565 -24.560 1.00 0.00 C ATOM 267 CG2 ILE A 669 -14.290 -21.990 -26.155 1.00 0.00 C ATOM 268 CD1 ILE A 669 -11.558 -20.912 -25.236 1.00 0.00 C ATOM 0 H ILE A 669 -14.112 -21.331 -22.156 1.00 0.00 H new ATOM 0 HA ILE A 669 -15.629 -20.264 -24.374 1.00 0.00 H new ATOM 0 HB ILE A 669 -13.645 -22.577 -24.196 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -13.255 -19.639 -24.993 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -12.685 -20.368 -23.505 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -13.371 -22.311 -26.646 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -15.029 -22.790 -26.209 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -14.678 -21.103 -26.655 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -10.854 -20.090 -25.104 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -11.147 -21.817 -24.789 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -11.727 -21.077 -26.300 1.00 0.00 H new ATOM 280 N ASP A 670 -16.693 -22.909 -22.854 1.00 0.00 N ATOM 281 CA ASP A 670 -17.790 -23.885 -22.667 1.00 0.00 C ATOM 282 C ASP A 670 -19.175 -23.270 -22.978 1.00 0.00 C ATOM 283 O ASP A 670 -20.094 -23.977 -23.412 1.00 0.00 O ATOM 284 CB ASP A 670 -17.780 -24.407 -21.200 1.00 0.00 C ATOM 285 CG ASP A 670 -16.429 -25.014 -20.778 1.00 0.00 C ATOM 286 OD1 ASP A 670 -15.507 -24.238 -20.424 1.00 0.00 O ATOM 287 OD2 ASP A 670 -16.282 -26.259 -20.781 1.00 0.00 O ATOM 0 H ASP A 670 -16.117 -22.799 -22.019 1.00 0.00 H new ATOM 0 HA ASP A 670 -17.622 -24.705 -23.365 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -18.027 -23.585 -20.528 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -18.560 -25.159 -21.084 1.00 0.00 H new ATOM 292 N ARG A 671 -19.320 -21.954 -22.726 1.00 0.00 N ATOM 293 CA ARG A 671 -20.553 -21.202 -23.027 1.00 0.00 C ATOM 294 C ARG A 671 -20.310 -20.274 -24.228 1.00 0.00 C ATOM 295 O ARG A 671 -20.853 -20.501 -25.318 1.00 0.00 O ATOM 296 CB ARG A 671 -21.038 -20.402 -21.778 1.00 0.00 C ATOM 297 CG ARG A 671 -21.325 -21.274 -20.542 1.00 0.00 C ATOM 298 CD ARG A 671 -22.375 -22.370 -20.808 1.00 0.00 C ATOM 299 NE ARG A 671 -22.466 -23.333 -19.691 1.00 0.00 N ATOM 300 CZ ARG A 671 -22.181 -24.651 -19.772 1.00 0.00 C ATOM 301 NH1 ARG A 671 -21.690 -25.172 -20.898 1.00 0.00 N ATOM 302 NH2 ARG A 671 -22.348 -25.429 -18.709 1.00 0.00 N ATOM 0 H ARG A 671 -18.585 -21.383 -22.308 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.345 -21.905 -23.286 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -20.281 -19.662 -21.519 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -21.943 -19.854 -22.040 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -20.397 -21.740 -20.210 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -21.671 -20.637 -19.728 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -23.349 -21.908 -20.968 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -22.120 -22.901 -21.725 1.00 0.00 H new ATOM 0 HE ARG A 671 -22.768 -22.974 -18.786 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -21.527 -24.574 -21.708 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -21.478 -26.168 -20.949 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -22.691 -25.031 -17.835 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -22.134 -26.425 -18.767 1.00 0.00 H new ATOM 316 N LYS A 672 -19.478 -19.231 -24.038 1.00 0.00 N ATOM 317 CA LYS A 672 -19.130 -18.269 -25.107 1.00 0.00 C ATOM 318 C LYS A 672 -17.604 -18.185 -25.259 1.00 0.00 C ATOM 319 O LYS A 672 -16.893 -18.301 -24.263 1.00 0.00 O ATOM 320 CB LYS A 672 -19.689 -16.848 -24.796 1.00 0.00 C ATOM 321 CG LYS A 672 -21.227 -16.756 -24.684 1.00 0.00 C ATOM 322 CD LYS A 672 -21.975 -17.196 -25.965 1.00 0.00 C ATOM 323 CE LYS A 672 -21.655 -16.328 -27.191 1.00 0.00 C ATOM 324 NZ LYS A 672 -22.409 -16.780 -28.380 1.00 0.00 N ATOM 0 H LYS A 672 -19.029 -19.031 -23.144 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.580 -18.625 -26.034 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -19.251 -16.500 -23.861 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -19.356 -16.165 -25.578 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -21.559 -17.375 -23.850 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -21.504 -15.728 -24.448 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -21.720 -18.232 -26.187 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -23.048 -17.165 -25.778 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -21.899 -15.288 -26.977 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -20.586 -16.368 -27.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -22.172 -16.175 -29.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -22.157 -17.765 -28.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -23.429 -16.718 -28.188 1.00 0.00 H new ATOM 338 N PRO A 673 -17.069 -17.942 -26.495 1.00 0.00 N ATOM 339 CA PRO A 673 -15.616 -17.757 -26.708 1.00 0.00 C ATOM 340 C PRO A 673 -15.076 -16.584 -25.883 1.00 0.00 C ATOM 341 O PRO A 673 -15.730 -15.538 -25.778 1.00 0.00 O ATOM 342 CB PRO A 673 -15.487 -17.474 -28.223 1.00 0.00 C ATOM 343 CG PRO A 673 -16.858 -17.083 -28.670 1.00 0.00 C ATOM 344 CD PRO A 673 -17.819 -17.825 -27.767 1.00 0.00 C ATOM 0 HA PRO A 673 -15.039 -18.627 -26.394 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -14.769 -16.677 -28.414 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -15.135 -18.355 -28.759 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -17.002 -16.005 -28.591 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -17.019 -17.350 -29.714 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.752 -17.277 -27.635 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.079 -18.803 -28.173 1.00 0.00 H new ATOM 352 N ARG A 674 -13.890 -16.768 -25.308 1.00 0.00 N ATOM 353 CA ARG A 674 -13.271 -15.772 -24.437 1.00 0.00 C ATOM 354 C ARG A 674 -11.769 -15.655 -24.730 1.00 0.00 C ATOM 355 O ARG A 674 -11.040 -16.652 -24.745 1.00 0.00 O ATOM 356 CB ARG A 674 -13.597 -16.085 -22.942 1.00 0.00 C ATOM 357 CG ARG A 674 -13.276 -17.523 -22.456 1.00 0.00 C ATOM 358 CD ARG A 674 -11.878 -17.670 -21.838 1.00 0.00 C ATOM 359 NE ARG A 674 -11.641 -19.032 -21.313 1.00 0.00 N ATOM 360 CZ ARG A 674 -10.609 -19.825 -21.653 1.00 0.00 C ATOM 361 NH1 ARG A 674 -9.725 -19.445 -22.573 1.00 0.00 N ATOM 362 NH2 ARG A 674 -10.487 -21.003 -21.087 1.00 0.00 N ATOM 0 H ARG A 674 -13.331 -17.612 -25.433 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.693 -14.789 -24.644 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -13.047 -15.382 -22.317 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -14.658 -15.896 -22.776 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -14.022 -17.823 -21.720 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -13.365 -18.210 -23.298 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -11.124 -17.435 -22.589 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -11.761 -16.946 -21.032 1.00 0.00 H new ATOM 0 HE ARG A 674 -12.313 -19.399 -20.640 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -9.824 -18.540 -23.032 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -8.948 -20.059 -22.818 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -11.171 -21.310 -20.396 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -9.708 -21.611 -21.338 1.00 0.00 H new ATOM 376 N VAL A 675 -11.339 -14.420 -25.007 1.00 0.00 N ATOM 377 CA VAL A 675 -9.957 -14.072 -25.303 1.00 0.00 C ATOM 378 C VAL A 675 -9.151 -13.851 -24.003 1.00 0.00 C ATOM 379 O VAL A 675 -9.593 -13.158 -23.076 1.00 0.00 O ATOM 380 CB VAL A 675 -9.901 -12.811 -26.242 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.627 -13.107 -27.568 1.00 0.00 C ATOM 382 CG2 VAL A 675 -10.488 -11.542 -25.582 1.00 0.00 C ATOM 0 H VAL A 675 -11.966 -13.616 -25.031 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.494 -14.905 -25.832 1.00 0.00 H new ATOM 0 HB VAL A 675 -8.848 -12.606 -26.436 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.583 -12.228 -28.211 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -10.144 -13.947 -28.068 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.669 -13.356 -27.365 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -10.421 -10.706 -26.278 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -11.532 -11.716 -25.323 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -9.925 -11.308 -24.679 1.00 0.00 H new ATOM 392 N GLN A 676 -7.985 -14.489 -23.936 1.00 0.00 N ATOM 393 CA GLN A 676 -7.043 -14.363 -22.819 1.00 0.00 C ATOM 394 C GLN A 676 -6.037 -13.262 -23.178 1.00 0.00 C ATOM 395 O GLN A 676 -5.043 -13.525 -23.863 1.00 0.00 O ATOM 396 CB GLN A 676 -6.346 -15.735 -22.579 1.00 0.00 C ATOM 397 CG GLN A 676 -7.330 -16.910 -22.371 1.00 0.00 C ATOM 398 CD GLN A 676 -8.111 -16.838 -21.058 1.00 0.00 C ATOM 399 OE1 GLN A 676 -7.696 -17.403 -20.049 1.00 0.00 O ATOM 400 NE2 GLN A 676 -9.218 -16.096 -21.043 1.00 0.00 N ATOM 0 H GLN A 676 -7.659 -15.120 -24.668 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.550 -14.089 -21.894 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -5.703 -15.959 -23.430 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -5.700 -15.655 -21.704 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -8.036 -16.932 -23.202 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -6.774 -17.847 -22.401 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -9.537 -15.639 -21.897 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -9.746 -15.985 -20.177 1.00 0.00 H new ATOM 409 N CYS A 677 -6.342 -12.010 -22.772 1.00 0.00 N ATOM 410 CA CYS A 677 -5.566 -10.824 -23.183 1.00 0.00 C ATOM 411 C CYS A 677 -4.133 -10.879 -22.625 1.00 0.00 C ATOM 412 O CYS A 677 -3.889 -10.477 -21.479 1.00 0.00 O ATOM 413 CB CYS A 677 -6.269 -9.524 -22.740 1.00 0.00 C ATOM 414 SG CYS A 677 -5.437 -8.005 -23.297 1.00 0.00 S ATOM 0 H CYS A 677 -7.126 -11.796 -22.156 1.00 0.00 H new ATOM 0 HA CYS A 677 -5.507 -10.828 -24.271 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -7.290 -9.527 -23.121 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -6.335 -9.512 -21.652 1.00 0.00 H new ATOM 0 HG CYS A 677 -6.064 -6.969 -22.825 1.00 0.00 H new ATOM 419 N LEU A 678 -3.213 -11.378 -23.474 1.00 0.00 N ATOM 420 CA LEU A 678 -1.805 -11.673 -23.129 1.00 0.00 C ATOM 421 C LEU A 678 -1.054 -10.461 -22.535 1.00 0.00 C ATOM 422 O LEU A 678 -0.181 -10.618 -21.677 1.00 0.00 O ATOM 423 CB LEU A 678 -1.096 -12.249 -24.404 1.00 0.00 C ATOM 424 CG LEU A 678 -1.118 -11.358 -25.711 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.051 -10.345 -25.762 1.00 0.00 C ATOM 426 CD2 LEU A 678 -1.157 -12.221 -26.999 1.00 0.00 C ATOM 0 H LEU A 678 -3.433 -11.594 -24.446 1.00 0.00 H new ATOM 0 HA LEU A 678 -1.789 -12.416 -22.332 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.055 -12.449 -24.150 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.556 -13.208 -24.642 1.00 0.00 H new ATOM 0 HG LEU A 678 -2.041 -10.781 -25.665 1.00 0.00 H new ATOM 0 HD11 LEU A 678 -0.014 -9.761 -26.680 1.00 0.00 H new ATOM 0 HD12 LEU A 678 -0.008 -9.678 -24.902 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.999 -10.882 -25.740 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -1.171 -11.570 -27.873 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.274 -12.859 -27.036 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -2.053 -12.841 -26.994 1.00 0.00 H new ATOM 438 N LYS A 679 -1.441 -9.253 -22.985 1.00 0.00 N ATOM 439 CA LYS A 679 -0.754 -8.002 -22.627 1.00 0.00 C ATOM 440 C LYS A 679 -0.969 -7.602 -21.149 1.00 0.00 C ATOM 441 O LYS A 679 -0.144 -6.880 -20.572 1.00 0.00 O ATOM 442 CB LYS A 679 -1.198 -6.879 -23.597 1.00 0.00 C ATOM 443 CG LYS A 679 -0.481 -5.511 -23.404 1.00 0.00 C ATOM 444 CD LYS A 679 -0.462 -4.652 -24.694 1.00 0.00 C ATOM 445 CE LYS A 679 0.386 -5.305 -25.810 1.00 0.00 C ATOM 446 NZ LYS A 679 0.496 -4.452 -27.018 1.00 0.00 N ATOM 0 H LYS A 679 -2.239 -9.119 -23.607 1.00 0.00 H new ATOM 0 HA LYS A 679 0.319 -8.163 -22.731 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -1.030 -7.217 -24.619 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -2.271 -6.727 -23.484 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -0.979 -4.954 -22.610 1.00 0.00 H new ATOM 0 HG3 LYS A 679 0.543 -5.687 -23.076 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -1.482 -4.509 -25.050 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -0.063 -3.664 -24.466 1.00 0.00 H new ATOM 0 HE2 LYS A 679 1.384 -5.515 -25.426 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -0.058 -6.262 -26.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 0.511 -5.053 -27.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -0.320 -3.808 -27.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 1.374 -3.896 -26.972 1.00 0.00 H new ATOM 460 N CYS A 680 -2.062 -8.084 -20.524 1.00 0.00 N ATOM 461 CA CYS A 680 -2.367 -7.745 -19.115 1.00 0.00 C ATOM 462 C CYS A 680 -2.929 -8.955 -18.338 1.00 0.00 C ATOM 463 O CYS A 680 -3.429 -8.784 -17.218 1.00 0.00 O ATOM 464 CB CYS A 680 -3.337 -6.539 -19.069 1.00 0.00 C ATOM 465 SG CYS A 680 -5.006 -6.882 -19.700 1.00 0.00 S ATOM 0 H CYS A 680 -2.743 -8.703 -20.965 1.00 0.00 H new ATOM 0 HA CYS A 680 -1.437 -7.468 -18.619 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -3.417 -6.194 -18.038 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -2.906 -5.721 -19.647 1.00 0.00 H new ATOM 0 HG CYS A 680 -4.932 -7.249 -20.945 1.00 0.00 H new ATOM 470 N HIS A 681 -2.810 -10.178 -18.933 1.00 0.00 N ATOM 471 CA HIS A 681 -3.314 -11.458 -18.352 1.00 0.00 C ATOM 472 C HIS A 681 -4.777 -11.333 -17.858 1.00 0.00 C ATOM 473 O HIS A 681 -5.165 -11.903 -16.837 1.00 0.00 O ATOM 474 CB HIS A 681 -2.355 -11.977 -17.238 1.00 0.00 C ATOM 475 CG HIS A 681 -0.988 -12.400 -17.738 1.00 0.00 C ATOM 476 ND1 HIS A 681 0.153 -12.343 -16.960 1.00 0.00 N ATOM 477 CD2 HIS A 681 -0.592 -12.930 -18.927 1.00 0.00 C ATOM 478 CE1 HIS A 681 1.183 -12.807 -17.646 1.00 0.00 C ATOM 479 NE2 HIS A 681 0.757 -13.172 -18.835 1.00 0.00 N ATOM 0 H HIS A 681 -2.357 -10.303 -19.838 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.324 -12.204 -19.147 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -2.229 -11.194 -16.490 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -2.824 -12.824 -16.737 1.00 0.00 H new ATOM 0 HD2 HIS A 681 -1.221 -13.124 -19.783 1.00 0.00 H new ATOM 0 HE1 HIS A 681 2.201 -12.875 -17.291 1.00 0.00 H new ATOM 0 HE2 HIS A 681 1.337 -13.572 -19.573 1.00 0.00 H new ATOM 488 N LEU A 682 -5.582 -10.617 -18.651 1.00 0.00 N ATOM 489 CA LEU A 682 -6.969 -10.246 -18.307 1.00 0.00 C ATOM 490 C LEU A 682 -7.914 -11.091 -19.164 1.00 0.00 C ATOM 491 O LEU A 682 -7.770 -11.119 -20.394 1.00 0.00 O ATOM 492 CB LEU A 682 -7.139 -8.714 -18.562 1.00 0.00 C ATOM 493 CG LEU A 682 -8.500 -7.998 -18.252 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.571 -8.256 -19.324 1.00 0.00 C ATOM 495 CD2 LEU A 682 -9.018 -8.344 -16.850 1.00 0.00 C ATOM 0 H LEU A 682 -5.289 -10.271 -19.565 1.00 0.00 H new ATOM 0 HA LEU A 682 -7.202 -10.440 -17.260 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -6.369 -8.205 -17.982 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -6.915 -8.537 -19.614 1.00 0.00 H new ATOM 0 HG LEU A 682 -8.290 -6.929 -18.276 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.489 -7.735 -19.054 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -9.217 -7.891 -20.288 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.768 -9.326 -19.392 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -9.962 -7.829 -16.674 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -9.172 -9.420 -16.775 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -8.288 -8.029 -16.104 1.00 0.00 H new ATOM 507 N TRP A 683 -8.882 -11.753 -18.521 1.00 0.00 N ATOM 508 CA TRP A 683 -9.812 -12.662 -19.211 1.00 0.00 C ATOM 509 C TRP A 683 -11.033 -11.862 -19.655 1.00 0.00 C ATOM 510 O TRP A 683 -11.639 -11.174 -18.841 1.00 0.00 O ATOM 511 CB TRP A 683 -10.236 -13.843 -18.290 1.00 0.00 C ATOM 512 CG TRP A 683 -9.118 -14.497 -17.478 1.00 0.00 C ATOM 513 CD1 TRP A 683 -9.246 -15.011 -16.219 1.00 0.00 C ATOM 514 CD2 TRP A 683 -7.725 -14.704 -17.834 1.00 0.00 C ATOM 515 NE1 TRP A 683 -8.059 -15.522 -15.784 1.00 0.00 N ATOM 516 CE2 TRP A 683 -7.110 -15.341 -16.742 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.933 -14.418 -18.952 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -5.769 -15.694 -16.734 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -5.600 -14.766 -18.940 1.00 0.00 C ATOM 520 CH2 TRP A 683 -5.026 -15.402 -17.836 1.00 0.00 C ATOM 0 H TRP A 683 -9.045 -11.677 -17.517 1.00 0.00 H new ATOM 0 HA TRP A 683 -9.314 -13.094 -20.079 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.997 -13.482 -17.598 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -10.705 -14.609 -18.908 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -10.162 -15.012 -15.647 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -7.906 -15.970 -14.881 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -7.362 -13.930 -19.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -5.328 -16.186 -15.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -4.987 -14.543 -19.801 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.979 -15.665 -17.858 1.00 0.00 H new ATOM 531 N GLN A 684 -11.359 -11.922 -20.944 1.00 0.00 N ATOM 532 CA GLN A 684 -12.503 -11.202 -21.516 1.00 0.00 C ATOM 533 C GLN A 684 -13.134 -12.052 -22.615 1.00 0.00 C ATOM 534 O GLN A 684 -12.477 -12.917 -23.152 1.00 0.00 O ATOM 535 CB GLN A 684 -12.026 -9.836 -22.079 1.00 0.00 C ATOM 536 CG GLN A 684 -13.149 -8.775 -22.283 1.00 0.00 C ATOM 537 CD GLN A 684 -12.954 -7.487 -21.473 1.00 0.00 C ATOM 538 OE1 GLN A 684 -13.299 -6.400 -21.924 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.432 -7.620 -20.256 1.00 0.00 N ATOM 0 H GLN A 684 -10.838 -12.472 -21.627 1.00 0.00 H new ATOM 0 HA GLN A 684 -13.251 -11.016 -20.746 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -11.277 -9.424 -21.403 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.532 -10.008 -23.035 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -13.204 -8.520 -23.341 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -14.107 -9.220 -22.012 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -12.157 -8.542 -19.917 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -12.307 -6.800 -19.662 1.00 0.00 H new ATOM 548 N HIS A 685 -14.403 -11.802 -22.948 1.00 0.00 N ATOM 549 CA HIS A 685 -15.093 -12.517 -24.043 1.00 0.00 C ATOM 550 C HIS A 685 -14.663 -11.972 -25.408 1.00 0.00 C ATOM 551 O HIS A 685 -14.371 -10.772 -25.543 1.00 0.00 O ATOM 552 CB HIS A 685 -16.625 -12.427 -23.896 1.00 0.00 C ATOM 553 CG HIS A 685 -17.160 -13.203 -22.726 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.579 -12.563 -21.587 1.00 0.00 N ATOM 555 CD2 HIS A 685 -17.319 -14.544 -22.573 1.00 0.00 C ATOM 556 CE1 HIS A 685 -17.981 -13.516 -20.770 1.00 0.00 C ATOM 557 NE2 HIS A 685 -17.842 -14.729 -21.325 1.00 0.00 N ATOM 0 H HIS A 685 -14.982 -11.107 -22.477 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.805 -13.566 -23.978 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.911 -11.381 -23.790 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -17.092 -12.794 -24.810 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -17.079 -15.311 -23.295 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -18.373 -13.342 -19.779 1.00 0.00 H new ATOM 0 HE2 HIS A 685 -18.082 -15.622 -20.895 1.00 0.00 H new ATOM 565 N ALA A 686 -14.639 -12.868 -26.413 1.00 0.00 N ATOM 566 CA ALA A 686 -14.315 -12.511 -27.798 1.00 0.00 C ATOM 567 C ALA A 686 -15.322 -11.471 -28.339 1.00 0.00 C ATOM 568 O ALA A 686 -14.943 -10.389 -28.781 1.00 0.00 O ATOM 569 CB ALA A 686 -14.299 -13.782 -28.664 1.00 0.00 C ATOM 0 H ALA A 686 -14.844 -13.859 -26.282 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.325 -12.055 -27.834 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -14.058 -13.518 -29.694 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -13.548 -14.473 -28.282 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -15.279 -14.257 -28.631 1.00 0.00 H new ATOM 575 N LYS A 687 -16.616 -11.804 -28.236 1.00 0.00 N ATOM 576 CA LYS A 687 -17.721 -10.942 -28.714 1.00 0.00 C ATOM 577 C LYS A 687 -17.790 -9.610 -27.918 1.00 0.00 C ATOM 578 O LYS A 687 -18.321 -8.615 -28.421 1.00 0.00 O ATOM 579 CB LYS A 687 -19.078 -11.703 -28.622 1.00 0.00 C ATOM 580 CG LYS A 687 -19.401 -12.700 -29.769 1.00 0.00 C ATOM 581 CD LYS A 687 -18.337 -13.805 -29.993 1.00 0.00 C ATOM 582 CE LYS A 687 -18.888 -14.995 -30.799 1.00 0.00 C ATOM 583 NZ LYS A 687 -19.465 -14.595 -32.107 1.00 0.00 N ATOM 0 H LYS A 687 -16.933 -12.679 -27.819 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.524 -10.694 -29.757 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -19.097 -12.251 -27.680 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -19.879 -10.965 -28.578 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -20.359 -13.176 -29.558 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -19.521 -12.139 -30.696 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -17.481 -13.380 -30.517 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -17.976 -14.159 -29.027 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -18.087 -15.715 -30.967 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -19.653 -15.501 -30.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -20.454 -14.911 -32.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -19.427 -13.560 -32.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -18.919 -15.033 -32.876 1.00 0.00 H new ATOM 597 N CYS A 688 -17.236 -9.600 -26.682 1.00 0.00 N ATOM 598 CA CYS A 688 -17.222 -8.392 -25.817 1.00 0.00 C ATOM 599 C CYS A 688 -16.144 -7.374 -26.263 1.00 0.00 C ATOM 600 O CYS A 688 -16.201 -6.207 -25.863 1.00 0.00 O ATOM 601 CB CYS A 688 -17.007 -8.760 -24.328 1.00 0.00 C ATOM 602 SG CYS A 688 -18.401 -9.640 -23.551 1.00 0.00 S ATOM 0 H CYS A 688 -16.792 -10.415 -26.260 1.00 0.00 H new ATOM 0 HA CYS A 688 -18.201 -7.926 -25.925 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -16.114 -9.379 -24.246 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -16.814 -7.846 -23.766 1.00 0.00 H new ATOM 0 HG CYS A 688 -18.572 -9.199 -22.340 1.00 0.00 H new ATOM 607 N VAL A 689 -15.158 -7.825 -27.075 1.00 0.00 N ATOM 608 CA VAL A 689 -14.055 -6.961 -27.581 1.00 0.00 C ATOM 609 C VAL A 689 -14.109 -6.817 -29.121 1.00 0.00 C ATOM 610 O VAL A 689 -13.179 -6.259 -29.728 1.00 0.00 O ATOM 611 CB VAL A 689 -12.638 -7.512 -27.134 1.00 0.00 C ATOM 612 CG1 VAL A 689 -12.565 -7.691 -25.606 1.00 0.00 C ATOM 613 CG2 VAL A 689 -12.260 -8.831 -27.847 1.00 0.00 C ATOM 0 H VAL A 689 -15.101 -8.791 -27.398 1.00 0.00 H new ATOM 0 HA VAL A 689 -14.196 -5.974 -27.140 1.00 0.00 H new ATOM 0 HB VAL A 689 -11.909 -6.760 -27.435 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -11.581 -8.070 -25.331 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -12.733 -6.731 -25.119 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -13.329 -8.399 -25.286 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -11.280 -9.163 -27.503 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -13.003 -9.595 -27.617 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -12.230 -8.667 -28.924 1.00 0.00 H new ATOM 623 N ASN A 690 -15.232 -7.287 -29.730 1.00 0.00 N ATOM 624 CA ASN A 690 -15.392 -7.417 -31.202 1.00 0.00 C ATOM 625 C ASN A 690 -14.361 -8.415 -31.759 1.00 0.00 C ATOM 626 O ASN A 690 -13.321 -8.023 -32.306 1.00 0.00 O ATOM 627 CB ASN A 690 -15.330 -6.045 -31.962 1.00 0.00 C ATOM 628 CG ASN A 690 -16.540 -5.144 -31.711 1.00 0.00 C ATOM 629 OD1 ASN A 690 -16.554 -4.341 -30.779 1.00 0.00 O ATOM 630 ND2 ASN A 690 -17.565 -5.262 -32.551 1.00 0.00 N ATOM 0 H ASN A 690 -16.055 -7.588 -29.208 1.00 0.00 H new ATOM 0 HA ASN A 690 -16.396 -7.802 -31.379 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -14.426 -5.515 -31.662 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -15.247 -6.237 -33.032 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -18.392 -4.677 -32.432 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -17.524 -5.937 -33.314 1.00 0.00 H new ATOM 637 N TYR A 691 -14.655 -9.710 -31.580 1.00 0.00 N ATOM 638 CA TYR A 691 -13.735 -10.805 -31.920 1.00 0.00 C ATOM 639 C TYR A 691 -14.540 -12.126 -31.941 1.00 0.00 C ATOM 640 O TYR A 691 -15.692 -12.158 -31.485 1.00 0.00 O ATOM 641 CB TYR A 691 -12.594 -10.829 -30.856 1.00 0.00 C ATOM 642 CG TYR A 691 -11.295 -11.535 -31.258 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.259 -10.832 -31.877 1.00 0.00 C ATOM 644 CD2 TYR A 691 -11.101 -12.887 -31.005 1.00 0.00 C ATOM 645 CE1 TYR A 691 -9.084 -11.460 -32.228 1.00 0.00 C ATOM 646 CE2 TYR A 691 -9.930 -13.510 -31.352 1.00 0.00 C ATOM 647 CZ TYR A 691 -8.927 -12.795 -31.958 1.00 0.00 C ATOM 648 OH TYR A 691 -7.770 -13.432 -32.320 1.00 0.00 O ATOM 0 H TYR A 691 -15.543 -10.030 -31.193 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.282 -10.669 -32.902 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -12.354 -9.799 -30.591 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -12.978 -11.309 -29.956 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -10.381 -9.779 -32.084 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -11.885 -13.456 -30.528 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -8.293 -10.905 -32.712 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -9.797 -14.562 -31.149 1.00 0.00 H new ATOM 0 HH TYR A 691 -7.962 -14.082 -33.028 1.00 0.00 H new ATOM 658 N ASP A 692 -13.936 -13.209 -32.457 1.00 0.00 N ATOM 659 CA ASP A 692 -14.577 -14.550 -32.481 1.00 0.00 C ATOM 660 C ASP A 692 -13.479 -15.635 -32.388 1.00 0.00 C ATOM 661 O ASP A 692 -12.328 -15.397 -32.789 1.00 0.00 O ATOM 662 CB ASP A 692 -15.443 -14.715 -33.780 1.00 0.00 C ATOM 663 CG ASP A 692 -16.573 -15.782 -33.715 1.00 0.00 C ATOM 664 OD1 ASP A 692 -16.343 -16.904 -33.228 1.00 0.00 O ATOM 665 OD2 ASP A 692 -17.709 -15.492 -34.173 1.00 0.00 O ATOM 0 H ASP A 692 -13.002 -13.190 -32.866 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.247 -14.658 -31.628 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -15.894 -13.751 -34.017 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -14.779 -14.968 -34.606 1.00 0.00 H new ATOM 670 N GLU A 693 -13.855 -16.825 -31.879 1.00 0.00 N ATOM 671 CA GLU A 693 -12.917 -17.942 -31.603 1.00 0.00 C ATOM 672 C GLU A 693 -12.191 -18.457 -32.861 1.00 0.00 C ATOM 673 O GLU A 693 -11.038 -18.898 -32.750 1.00 0.00 O ATOM 674 CB GLU A 693 -13.641 -19.107 -30.858 1.00 0.00 C ATOM 675 CG GLU A 693 -15.027 -19.524 -31.456 1.00 0.00 C ATOM 676 CD GLU A 693 -15.045 -20.833 -32.268 1.00 0.00 C ATOM 677 OE1 GLU A 693 -14.070 -21.129 -32.991 1.00 0.00 O ATOM 678 OE2 GLU A 693 -16.078 -21.550 -32.225 1.00 0.00 O ATOM 0 H GLU A 693 -14.823 -17.044 -31.645 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.143 -17.535 -30.952 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -12.987 -19.979 -30.858 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -13.785 -18.817 -29.817 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -15.740 -19.618 -30.637 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -15.382 -18.717 -32.097 1.00 0.00 H new ATOM 685 N LYS A 694 -12.844 -18.347 -34.040 1.00 0.00 N ATOM 686 CA LYS A 694 -12.305 -18.859 -35.337 1.00 0.00 C ATOM 687 C LYS A 694 -10.852 -18.395 -35.575 1.00 0.00 C ATOM 688 O LYS A 694 -9.997 -19.166 -36.023 1.00 0.00 O ATOM 689 CB LYS A 694 -13.210 -18.421 -36.542 1.00 0.00 C ATOM 690 CG LYS A 694 -14.517 -19.234 -36.731 1.00 0.00 C ATOM 691 CD LYS A 694 -15.470 -19.129 -35.532 1.00 0.00 C ATOM 692 CE LYS A 694 -16.760 -19.937 -35.712 1.00 0.00 C ATOM 693 NZ LYS A 694 -17.599 -19.888 -34.488 1.00 0.00 N ATOM 0 H LYS A 694 -13.758 -17.903 -34.128 1.00 0.00 H new ATOM 0 HA LYS A 694 -12.310 -19.947 -35.273 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.472 -17.371 -36.413 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -12.624 -18.493 -37.458 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -15.030 -18.883 -37.627 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -14.266 -20.282 -36.897 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -14.955 -19.474 -34.636 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -15.725 -18.082 -35.370 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -17.323 -19.544 -36.558 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -16.514 -20.973 -35.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -18.564 -20.201 -34.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -17.194 -20.515 -33.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -17.628 -18.914 -34.126 1.00 0.00 H new ATOM 707 N ASN A 695 -10.590 -17.137 -35.219 1.00 0.00 N ATOM 708 CA ASN A 695 -9.278 -16.490 -35.381 1.00 0.00 C ATOM 709 C ASN A 695 -8.571 -16.268 -34.032 1.00 0.00 C ATOM 710 O ASN A 695 -7.478 -15.704 -33.998 1.00 0.00 O ATOM 711 CB ASN A 695 -9.453 -15.162 -36.153 1.00 0.00 C ATOM 712 CG ASN A 695 -10.572 -14.283 -35.594 1.00 0.00 C ATOM 713 OD1 ASN A 695 -11.727 -14.404 -35.993 1.00 0.00 O ATOM 714 ND2 ASN A 695 -10.245 -13.421 -34.655 1.00 0.00 N ATOM 0 H ASN A 695 -11.292 -16.525 -34.803 1.00 0.00 H new ATOM 0 HA ASN A 695 -8.634 -17.155 -35.956 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -8.515 -14.607 -36.125 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -9.662 -15.383 -37.200 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -10.961 -12.828 -34.235 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -9.276 -13.346 -34.347 1.00 0.00 H new ATOM 721 N LEU A 696 -9.198 -16.717 -32.929 1.00 0.00 N ATOM 722 CA LEU A 696 -8.539 -16.821 -31.599 1.00 0.00 C ATOM 723 C LEU A 696 -7.431 -17.886 -31.674 1.00 0.00 C ATOM 724 O LEU A 696 -6.392 -17.767 -31.023 1.00 0.00 O ATOM 725 CB LEU A 696 -9.622 -17.150 -30.516 1.00 0.00 C ATOM 726 CG LEU A 696 -9.231 -17.115 -28.991 1.00 0.00 C ATOM 727 CD1 LEU A 696 -10.493 -16.930 -28.107 1.00 0.00 C ATOM 728 CD2 LEU A 696 -8.467 -18.389 -28.546 1.00 0.00 C ATOM 0 H LEU A 696 -10.172 -17.019 -32.927 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.070 -15.879 -31.315 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.447 -16.452 -30.657 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -10.007 -18.147 -30.731 1.00 0.00 H new ATOM 0 HG LEU A 696 -8.563 -16.264 -28.860 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -10.202 -16.908 -27.057 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -10.985 -15.993 -28.367 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -11.180 -17.759 -28.276 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -8.221 -18.314 -27.487 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -9.093 -19.265 -28.712 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -7.549 -18.484 -29.126 1.00 0.00 H new ATOM 740 N LYS A 697 -7.667 -18.916 -32.504 1.00 0.00 N ATOM 741 CA LYS A 697 -6.655 -19.961 -32.788 1.00 0.00 C ATOM 742 C LYS A 697 -5.620 -19.507 -33.862 1.00 0.00 C ATOM 743 O LYS A 697 -4.775 -20.315 -34.262 1.00 0.00 O ATOM 744 CB LYS A 697 -7.340 -21.296 -33.231 1.00 0.00 C ATOM 745 CG LYS A 697 -8.130 -22.055 -32.127 1.00 0.00 C ATOM 746 CD LYS A 697 -9.551 -21.498 -31.887 1.00 0.00 C ATOM 747 CE LYS A 697 -10.534 -21.853 -33.025 1.00 0.00 C ATOM 748 NZ LYS A 697 -10.993 -23.258 -32.966 1.00 0.00 N ATOM 0 H LYS A 697 -8.551 -19.052 -32.994 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.111 -20.131 -31.859 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -8.022 -21.076 -34.052 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -6.572 -21.962 -33.624 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -8.203 -23.107 -32.403 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.569 -22.009 -31.194 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -9.936 -21.890 -30.945 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -9.499 -20.414 -31.783 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -11.398 -21.190 -32.973 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.051 -21.673 -33.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -11.650 -23.442 -33.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -10.174 -23.894 -33.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -11.479 -23.427 -32.062 1.00 0.00 H new ATOM 762 N ILE A 698 -5.680 -18.226 -34.333 1.00 0.00 N ATOM 763 CA ILE A 698 -4.823 -17.731 -35.453 1.00 0.00 C ATOM 764 C ILE A 698 -4.135 -16.399 -35.072 1.00 0.00 C ATOM 765 O ILE A 698 -2.935 -16.361 -34.772 1.00 0.00 O ATOM 766 CB ILE A 698 -5.660 -17.520 -36.786 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.601 -18.735 -37.034 1.00 0.00 C ATOM 768 CG2 ILE A 698 -4.733 -17.257 -38.000 1.00 0.00 C ATOM 769 CD1 ILE A 698 -7.442 -18.677 -38.297 1.00 0.00 C ATOM 0 H ILE A 698 -6.311 -17.520 -33.955 1.00 0.00 H new ATOM 0 HA ILE A 698 -4.067 -18.495 -35.633 1.00 0.00 H new ATOM 0 HB ILE A 698 -6.281 -16.633 -36.663 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -5.993 -19.639 -37.067 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -7.270 -18.832 -36.179 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -5.338 -17.117 -38.896 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -4.141 -16.360 -37.818 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.068 -18.109 -38.141 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -8.057 -19.574 -38.366 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -8.085 -17.797 -38.266 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -6.788 -18.618 -39.167 1.00 0.00 H new ATOM 781 N LYS A 699 -4.928 -15.312 -35.076 1.00 0.00 N ATOM 782 CA LYS A 699 -4.448 -13.932 -34.813 1.00 0.00 C ATOM 783 C LYS A 699 -4.480 -13.608 -33.290 1.00 0.00 C ATOM 784 O LYS A 699 -5.140 -14.323 -32.532 1.00 0.00 O ATOM 785 CB LYS A 699 -5.303 -12.913 -35.645 1.00 0.00 C ATOM 786 CG LYS A 699 -4.986 -12.914 -37.176 1.00 0.00 C ATOM 787 CD LYS A 699 -6.057 -13.613 -38.054 1.00 0.00 C ATOM 788 CE LYS A 699 -7.381 -12.827 -38.123 1.00 0.00 C ATOM 789 NZ LYS A 699 -8.340 -13.419 -39.094 1.00 0.00 N ATOM 0 H LYS A 699 -5.930 -15.361 -35.263 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.408 -13.848 -35.129 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.359 -13.141 -35.504 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -5.138 -11.910 -35.251 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -4.875 -11.883 -37.512 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -4.026 -13.406 -37.335 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -5.664 -13.743 -39.062 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -6.252 -14.609 -37.657 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -7.838 -12.802 -37.134 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -7.174 -11.795 -38.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -9.215 -12.856 -39.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -7.916 -13.419 -40.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -8.560 -14.396 -38.813 1.00 0.00 H new ATOM 803 N PRO A 700 -3.736 -12.546 -32.808 1.00 0.00 N ATOM 804 CA PRO A 700 -3.736 -12.144 -31.369 1.00 0.00 C ATOM 805 C PRO A 700 -5.045 -11.433 -30.960 1.00 0.00 C ATOM 806 O PRO A 700 -5.874 -11.091 -31.812 1.00 0.00 O ATOM 807 CB PRO A 700 -2.517 -11.199 -31.273 1.00 0.00 C ATOM 808 CG PRO A 700 -2.454 -10.563 -32.623 1.00 0.00 C ATOM 809 CD PRO A 700 -2.824 -11.663 -33.600 1.00 0.00 C ATOM 0 HA PRO A 700 -3.674 -12.997 -30.693 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.647 -10.456 -30.486 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -1.603 -11.747 -31.046 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -3.146 -9.724 -32.695 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -1.457 -10.173 -32.828 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -3.321 -11.263 -34.484 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.944 -12.204 -33.947 1.00 0.00 H new ATOM 817 N PHE A 701 -5.207 -11.218 -29.643 1.00 0.00 N ATOM 818 CA PHE A 701 -6.468 -10.742 -29.050 1.00 0.00 C ATOM 819 C PHE A 701 -6.195 -9.927 -27.775 1.00 0.00 C ATOM 820 O PHE A 701 -5.419 -10.343 -26.903 1.00 0.00 O ATOM 821 CB PHE A 701 -7.422 -11.944 -28.781 1.00 0.00 C ATOM 822 CG PHE A 701 -6.741 -13.255 -28.369 1.00 0.00 C ATOM 823 CD1 PHE A 701 -6.429 -13.530 -27.041 1.00 0.00 C ATOM 824 CD2 PHE A 701 -6.411 -14.217 -29.326 1.00 0.00 C ATOM 825 CE1 PHE A 701 -5.814 -14.717 -26.690 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.792 -15.397 -28.973 1.00 0.00 C ATOM 827 CZ PHE A 701 -5.496 -15.650 -27.654 1.00 0.00 C ATOM 0 H PHE A 701 -4.466 -11.370 -28.959 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.965 -10.077 -29.756 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -8.124 -11.659 -27.997 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -8.008 -12.128 -29.682 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -6.670 -12.807 -26.276 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -6.646 -14.033 -30.364 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -5.581 -14.915 -25.654 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -5.540 -16.123 -29.732 1.00 0.00 H new ATOM 0 HZ PHE A 701 -5.016 -16.576 -27.374 1.00 0.00 H new ATOM 837 N TYR A 702 -6.833 -8.743 -27.693 1.00 0.00 N ATOM 838 CA TYR A 702 -6.610 -7.764 -26.616 1.00 0.00 C ATOM 839 C TYR A 702 -7.955 -7.196 -26.125 1.00 0.00 C ATOM 840 O TYR A 702 -8.892 -7.036 -26.910 1.00 0.00 O ATOM 841 CB TYR A 702 -5.694 -6.602 -27.116 1.00 0.00 C ATOM 842 CG TYR A 702 -4.351 -7.077 -27.703 1.00 0.00 C ATOM 843 CD1 TYR A 702 -3.290 -7.442 -26.871 1.00 0.00 C ATOM 844 CD2 TYR A 702 -4.174 -7.229 -29.085 1.00 0.00 C ATOM 845 CE1 TYR A 702 -2.102 -7.921 -27.393 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.992 -7.721 -29.607 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.962 -8.068 -28.758 1.00 0.00 C ATOM 848 OH TYR A 702 -0.785 -8.567 -29.276 1.00 0.00 O ATOM 0 H TYR A 702 -7.523 -8.439 -28.379 1.00 0.00 H new ATOM 0 HA TYR A 702 -6.115 -8.270 -25.788 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -6.229 -6.031 -27.874 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -5.497 -5.924 -26.286 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -3.399 -7.349 -25.801 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -4.976 -6.957 -29.755 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -1.286 -8.179 -26.734 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -2.876 -7.833 -30.675 1.00 0.00 H new ATOM 0 HH TYR A 702 -0.849 -8.609 -30.253 1.00 0.00 H new ATOM 858 N CYS A 703 -8.038 -6.934 -24.810 1.00 0.00 N ATOM 859 CA CYS A 703 -9.154 -6.178 -24.211 1.00 0.00 C ATOM 860 C CYS A 703 -9.068 -4.698 -24.666 1.00 0.00 C ATOM 861 O CYS A 703 -7.947 -4.200 -24.868 1.00 0.00 O ATOM 862 CB CYS A 703 -9.100 -6.283 -22.668 1.00 0.00 C ATOM 863 SG CYS A 703 -7.783 -5.304 -21.875 1.00 0.00 S ATOM 0 H CYS A 703 -7.338 -7.238 -24.134 1.00 0.00 H new ATOM 0 HA CYS A 703 -10.103 -6.597 -24.545 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -10.061 -5.966 -22.263 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -8.969 -7.330 -22.394 1.00 0.00 H new ATOM 0 HG CYS A 703 -7.008 -6.093 -21.192 1.00 0.00 H new ATOM 868 N PRO A 704 -10.227 -3.963 -24.827 1.00 0.00 N ATOM 869 CA PRO A 704 -10.236 -2.585 -25.404 1.00 0.00 C ATOM 870 C PRO A 704 -9.385 -1.571 -24.606 1.00 0.00 C ATOM 871 O PRO A 704 -8.953 -0.554 -25.154 1.00 0.00 O ATOM 872 CB PRO A 704 -11.744 -2.193 -25.411 1.00 0.00 C ATOM 873 CG PRO A 704 -12.385 -3.102 -24.406 1.00 0.00 C ATOM 874 CD PRO A 704 -11.616 -4.400 -24.482 1.00 0.00 C ATOM 0 HA PRO A 704 -9.782 -2.569 -26.395 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -11.881 -1.146 -25.140 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -12.182 -2.327 -26.400 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -12.335 -2.675 -23.404 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -13.439 -3.257 -24.635 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -11.644 -4.939 -23.535 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -12.027 -5.066 -25.240 1.00 0.00 H new ATOM 882 N HIS A 705 -9.117 -1.881 -23.321 1.00 0.00 N ATOM 883 CA HIS A 705 -8.285 -1.029 -22.452 1.00 0.00 C ATOM 884 C HIS A 705 -6.820 -1.020 -22.927 1.00 0.00 C ATOM 885 O HIS A 705 -6.138 0.002 -22.820 1.00 0.00 O ATOM 886 CB HIS A 705 -8.387 -1.482 -20.972 1.00 0.00 C ATOM 887 CG HIS A 705 -7.884 -0.448 -19.991 1.00 0.00 C ATOM 888 ND1 HIS A 705 -8.652 0.624 -19.587 1.00 0.00 N ATOM 889 CD2 HIS A 705 -6.695 -0.309 -19.360 1.00 0.00 C ATOM 890 CE1 HIS A 705 -7.961 1.377 -18.762 1.00 0.00 C ATOM 891 NE2 HIS A 705 -6.772 0.833 -18.603 1.00 0.00 N ATOM 0 H HIS A 705 -9.468 -2.721 -22.861 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.664 -0.009 -22.518 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -9.427 -1.715 -20.742 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -7.818 -2.403 -20.842 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -5.846 -0.972 -19.438 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -8.308 2.286 -18.294 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -6.027 1.202 -18.012 1.00 0.00 H new ATOM 900 N CYS A 706 -6.341 -2.166 -23.458 1.00 0.00 N ATOM 901 CA CYS A 706 -4.982 -2.262 -24.036 1.00 0.00 C ATOM 902 C CYS A 706 -4.886 -1.516 -25.376 1.00 0.00 C ATOM 903 O CYS A 706 -3.799 -1.081 -25.758 1.00 0.00 O ATOM 904 CB CYS A 706 -4.535 -3.731 -24.188 1.00 0.00 C ATOM 905 SG CYS A 706 -4.097 -4.532 -22.614 1.00 0.00 S ATOM 0 H CYS A 706 -6.873 -3.035 -23.499 1.00 0.00 H new ATOM 0 HA CYS A 706 -4.300 -1.778 -23.337 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -5.336 -4.298 -24.663 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -3.676 -3.772 -24.857 1.00 0.00 H new ATOM 0 HG CYS A 706 -4.483 -5.773 -22.637 1.00 0.00 H new ATOM 910 N LEU A 707 -6.024 -1.368 -26.082 1.00 0.00 N ATOM 911 CA LEU A 707 -6.085 -0.575 -27.332 1.00 0.00 C ATOM 912 C LEU A 707 -5.912 0.923 -26.998 1.00 0.00 C ATOM 913 O LEU A 707 -5.172 1.645 -27.677 1.00 0.00 O ATOM 914 CB LEU A 707 -7.423 -0.832 -28.083 1.00 0.00 C ATOM 915 CG LEU A 707 -7.751 -2.327 -28.418 1.00 0.00 C ATOM 916 CD1 LEU A 707 -9.126 -2.457 -29.110 1.00 0.00 C ATOM 917 CD2 LEU A 707 -6.638 -2.981 -29.269 1.00 0.00 C ATOM 0 H LEU A 707 -6.914 -1.786 -25.811 1.00 0.00 H new ATOM 0 HA LEU A 707 -5.275 -0.884 -27.993 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -8.237 -0.429 -27.480 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -7.407 -0.267 -29.015 1.00 0.00 H new ATOM 0 HG LEU A 707 -7.798 -2.866 -27.472 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -9.325 -3.506 -29.330 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -9.903 -2.071 -28.451 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -9.121 -1.886 -30.039 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -6.903 -4.017 -29.480 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -6.529 -2.436 -30.207 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -5.696 -2.952 -28.721 1.00 0.00 H new ATOM 929 N VAL A 708 -6.583 1.347 -25.907 1.00 0.00 N ATOM 930 CA VAL A 708 -6.514 2.728 -25.369 1.00 0.00 C ATOM 931 C VAL A 708 -5.162 2.978 -24.651 1.00 0.00 C ATOM 932 O VAL A 708 -4.751 4.126 -24.451 1.00 0.00 O ATOM 933 CB VAL A 708 -7.733 2.997 -24.395 1.00 0.00 C ATOM 934 CG1 VAL A 708 -7.757 4.451 -23.854 1.00 0.00 C ATOM 935 CG2 VAL A 708 -9.070 2.669 -25.097 1.00 0.00 C ATOM 0 H VAL A 708 -7.195 0.736 -25.367 1.00 0.00 H new ATOM 0 HA VAL A 708 -6.578 3.427 -26.203 1.00 0.00 H new ATOM 0 HB VAL A 708 -7.601 2.337 -23.538 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -8.613 4.579 -23.192 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -6.838 4.649 -23.302 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -7.836 5.148 -24.688 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -9.897 2.860 -24.413 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -9.180 3.296 -25.982 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -9.078 1.620 -25.392 1.00 0.00 H new ATOM 945 N ALA A 709 -4.473 1.888 -24.274 1.00 0.00 N ATOM 946 CA ALA A 709 -3.142 1.955 -23.640 1.00 0.00 C ATOM 947 C ALA A 709 -2.036 2.198 -24.686 1.00 0.00 C ATOM 948 O ALA A 709 -1.172 3.064 -24.495 1.00 0.00 O ATOM 949 CB ALA A 709 -2.861 0.669 -22.847 1.00 0.00 C ATOM 0 H ALA A 709 -4.820 0.937 -24.399 1.00 0.00 H new ATOM 0 HA ALA A 709 -3.140 2.799 -22.950 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -1.876 0.734 -22.386 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -3.617 0.547 -22.072 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -2.890 -0.188 -23.521 1.00 0.00 H new ATOM 955 N MET A 710 -2.072 1.414 -25.786 1.00 0.00 N ATOM 956 CA MET A 710 -1.069 1.479 -26.873 1.00 0.00 C ATOM 957 C MET A 710 -1.237 2.786 -27.666 1.00 0.00 C ATOM 958 O MET A 710 -0.330 3.629 -27.681 1.00 0.00 O ATOM 959 CB MET A 710 -1.202 0.251 -27.824 1.00 0.00 C ATOM 960 CG MET A 710 -0.963 -1.110 -27.149 1.00 0.00 C ATOM 961 SD MET A 710 -1.187 -2.509 -28.275 1.00 0.00 S ATOM 962 CE MET A 710 -2.893 -2.314 -28.799 1.00 0.00 C ATOM 0 H MET A 710 -2.799 0.717 -25.946 1.00 0.00 H new ATOM 0 HA MET A 710 -0.075 1.458 -26.427 1.00 0.00 H new ATOM 0 HB2 MET A 710 -2.200 0.254 -28.263 1.00 0.00 H new ATOM 0 HB3 MET A 710 -0.493 0.365 -28.644 1.00 0.00 H new ATOM 0 HG2 MET A 710 0.049 -1.135 -26.744 1.00 0.00 H new ATOM 0 HG3 MET A 710 -1.646 -1.216 -26.307 1.00 0.00 H new ATOM 0 HE1 MET A 710 -3.187 -3.169 -29.408 1.00 0.00 H new ATOM 0 HE2 MET A 710 -3.538 -2.254 -27.923 1.00 0.00 H new ATOM 0 HE3 MET A 710 -2.991 -1.400 -29.385 1.00 0.00 H new