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= 1.22 USER MOD Set 1.2: A 680 CYS SG : rot -60:sc= -2.31! USER MOD Set 1.3: A 703 CYS SG : rot -123:sc= 0.324 USER MOD Set 1.4: A 706 CYS SG : rot 147:sc= 0.307 USER MOD Set 2.1: A 695 ASN : amide:sc= -0.276 K(o=0.019,f=-3.2) USER MOD Set 2.2: A 699 LYS NZ :NH3+ -171:sc= 0.295 (180deg=0) USER MOD Set 3.1: A 661 CYS SG : rot -172:sc= -1.17! USER MOD Set 3.2: A 663 CYS SG : rot -65:sc= -1.02 USER MOD Set 3.3: A 685 HIS : no HD1:sc= -0.15 K(o=-3.9,f=-6.5) USER MOD Set 3.4: A 688 CYS SG : rot -179:sc= -1.58! USER MOD Single : A 668 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 GLN : amide:sc= -2.35 K(o=-2.3,f=-0.45) USER MOD Single : A 679 LYS NZ :NH3+ -138:sc= -0.128! (180deg=-0.64!) USER MOD Single : A 681 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 684 GLN : amide:sc= -8.48! C(o=-8.5!,f=-5.7!) USER MOD Single : A 687 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 690 ASN : amide:sc= -0.0556 K(o=-0.056,f=-2!) USER MOD Single : A 691 TYR OH : rot -103:sc= 0.212 USER MOD Single : A 694 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0432) USER MOD Single : A 697 LYS NZ :NH3+ -172:sc= 0.435 (180deg=0.411) 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 -175:sc= -0.232 (180deg=-0.288) USER MOD ----------------------------------------------------------------- ATOM 93 N ARG A 658 -6.822 -7.895 -10.304 1.00 0.00 N ATOM 94 CA ARG A 658 -8.232 -8.220 -10.610 1.00 0.00 C ATOM 95 C ARG A 658 -8.367 -8.338 -12.136 1.00 0.00 C ATOM 96 O ARG A 658 -8.195 -7.350 -12.861 1.00 0.00 O ATOM 97 CB ARG A 658 -9.217 -7.145 -10.046 1.00 0.00 C ATOM 98 CG ARG A 658 -9.522 -7.244 -8.528 1.00 0.00 C ATOM 99 CD ARG A 658 -8.320 -6.934 -7.620 1.00 0.00 C ATOM 100 NE ARG A 658 -8.682 -7.036 -6.189 1.00 0.00 N ATOM 101 CZ ARG A 658 -8.724 -6.016 -5.314 1.00 0.00 C ATOM 102 NH1 ARG A 658 -8.386 -4.782 -5.684 1.00 0.00 N ATOM 103 NH2 ARG A 658 -9.099 -6.246 -4.056 1.00 0.00 N ATOM 0 HA ARG A 658 -8.499 -9.161 -10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -8.805 -6.157 -10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -10.157 -7.218 -10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -10.332 -6.556 -8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -9.881 -8.249 -8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -7.507 -7.626 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -7.951 -5.931 -7.833 1.00 0.00 H new ATOM 0 HE ARG A 658 -8.921 -7.962 -5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -8.090 -4.600 -6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -8.423 -4.019 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -9.351 -7.190 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -9.134 -5.478 -3.386 1.00 0.00 H new ATOM 117 N PHE A 659 -8.649 -9.560 -12.612 1.00 0.00 N ATOM 118 CA PHE A 659 -8.702 -9.891 -14.046 1.00 0.00 C ATOM 119 C PHE A 659 -9.937 -10.764 -14.342 1.00 0.00 C ATOM 120 O PHE A 659 -10.012 -11.923 -13.936 1.00 0.00 O ATOM 121 CB PHE A 659 -7.367 -10.565 -14.506 1.00 0.00 C ATOM 122 CG PHE A 659 -6.744 -11.527 -13.485 1.00 0.00 C ATOM 123 CD1 PHE A 659 -7.114 -12.864 -13.433 1.00 0.00 C ATOM 124 CD2 PHE A 659 -5.803 -11.073 -12.563 1.00 0.00 C ATOM 125 CE1 PHE A 659 -6.564 -13.722 -12.505 1.00 0.00 C ATOM 126 CE2 PHE A 659 -5.253 -11.930 -11.637 1.00 0.00 C ATOM 127 CZ PHE A 659 -5.636 -13.253 -11.604 1.00 0.00 C ATOM 0 H PHE A 659 -8.849 -10.356 -12.006 1.00 0.00 H new ATOM 0 HA PHE A 659 -8.806 -8.974 -14.625 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.552 -11.110 -15.431 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.643 -9.784 -14.736 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -7.846 -13.239 -14.133 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -5.502 -10.036 -12.575 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -6.861 -14.760 -12.485 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -4.519 -11.564 -10.934 1.00 0.00 H new ATOM 0 HZ PHE A 659 -5.208 -13.921 -10.871 1.00 0.00 H new ATOM 137 N GLU A 660 -10.913 -10.161 -15.035 1.00 0.00 N ATOM 138 CA GLU A 660 -12.198 -10.797 -15.381 1.00 0.00 C ATOM 139 C GLU A 660 -12.832 -10.032 -16.553 1.00 0.00 C ATOM 140 O GLU A 660 -12.468 -8.870 -16.814 1.00 0.00 O ATOM 141 CB GLU A 660 -13.136 -10.797 -14.140 1.00 0.00 C ATOM 142 CG GLU A 660 -14.479 -11.534 -14.316 1.00 0.00 C ATOM 143 CD GLU A 660 -15.313 -11.577 -13.024 1.00 0.00 C ATOM 144 OE1 GLU A 660 -15.004 -12.404 -12.131 1.00 0.00 O ATOM 145 OE2 GLU A 660 -16.259 -10.769 -12.877 1.00 0.00 O ATOM 0 H GLU A 660 -10.834 -9.203 -15.377 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.037 -11.832 -15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -12.602 -11.248 -13.304 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -13.344 -9.763 -13.865 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -15.057 -11.043 -15.099 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -14.287 -12.553 -14.652 1.00 0.00 H new ATOM 152 N CYS A 661 -13.761 -10.683 -17.282 1.00 0.00 N ATOM 153 CA CYS A 661 -14.499 -10.020 -18.361 1.00 0.00 C ATOM 154 C CYS A 661 -15.433 -8.936 -17.801 1.00 0.00 C ATOM 155 O CYS A 661 -16.104 -9.157 -16.792 1.00 0.00 O ATOM 156 CB CYS A 661 -15.296 -11.002 -19.216 1.00 0.00 C ATOM 157 SG CYS A 661 -16.005 -10.194 -20.668 1.00 0.00 S ATOM 0 H CYS A 661 -14.013 -11.661 -17.140 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.753 -9.555 -19.005 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.648 -11.819 -19.533 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -16.094 -11.442 -18.618 1.00 0.00 H new ATOM 0 HG CYS A 661 -16.803 -11.020 -21.278 1.00 0.00 H new ATOM 162 N ILE A 662 -15.481 -7.788 -18.500 1.00 0.00 N ATOM 163 CA ILE A 662 -16.174 -6.559 -18.042 1.00 0.00 C ATOM 164 C ILE A 662 -17.713 -6.730 -17.818 1.00 0.00 C ATOM 165 O ILE A 662 -18.334 -5.869 -17.191 1.00 0.00 O ATOM 166 CB ILE A 662 -15.901 -5.361 -19.038 1.00 0.00 C ATOM 167 CG1 ILE A 662 -16.325 -5.735 -20.490 1.00 0.00 C ATOM 168 CG2 ILE A 662 -14.413 -4.924 -19.014 1.00 0.00 C ATOM 169 CD1 ILE A 662 -16.227 -4.617 -21.500 1.00 0.00 C ATOM 0 H ILE A 662 -15.035 -7.681 -19.411 1.00 0.00 H new ATOM 0 HA ILE A 662 -15.750 -6.337 -17.063 1.00 0.00 H new ATOM 0 HB ILE A 662 -16.506 -4.519 -18.701 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -15.705 -6.564 -20.830 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -17.354 -6.094 -20.469 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -14.265 -4.099 -19.711 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -14.145 -4.602 -18.008 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -13.782 -5.764 -19.306 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -16.544 -4.981 -22.477 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -16.870 -3.792 -21.193 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -15.195 -4.270 -21.559 1.00 0.00 H new ATOM 181 N CYS A 663 -18.327 -7.825 -18.341 1.00 0.00 N ATOM 182 CA CYS A 663 -19.780 -8.111 -18.124 1.00 0.00 C ATOM 183 C CYS A 663 -20.010 -8.807 -16.770 1.00 0.00 C ATOM 184 O CYS A 663 -21.057 -8.629 -16.141 1.00 0.00 O ATOM 185 CB CYS A 663 -20.398 -8.950 -19.283 1.00 0.00 C ATOM 186 SG CYS A 663 -19.670 -10.609 -19.568 1.00 0.00 S ATOM 0 H CYS A 663 -17.847 -8.521 -18.912 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.292 -7.149 -18.113 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.463 -9.074 -19.085 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -20.310 -8.375 -20.205 1.00 0.00 H new ATOM 0 HG CYS A 663 -18.438 -10.480 -19.962 1.00 0.00 H new ATOM 191 N GLY A 664 -18.997 -9.570 -16.325 1.00 0.00 N ATOM 192 CA GLY A 664 -19.045 -10.293 -15.046 1.00 0.00 C ATOM 193 C GLY A 664 -20.020 -11.470 -15.025 1.00 0.00 C ATOM 194 O GLY A 664 -20.656 -11.737 -14.000 1.00 0.00 O ATOM 0 H GLY A 664 -18.127 -9.702 -16.840 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -18.046 -10.660 -14.812 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -19.321 -9.594 -14.257 1.00 0.00 H new ATOM 198 N GLU A 665 -20.136 -12.176 -16.168 1.00 0.00 N ATOM 199 CA GLU A 665 -21.025 -13.350 -16.308 1.00 0.00 C ATOM 200 C GLU A 665 -20.205 -14.652 -16.110 1.00 0.00 C ATOM 201 O GLU A 665 -20.260 -15.278 -15.051 1.00 0.00 O ATOM 202 CB GLU A 665 -21.732 -13.340 -17.699 1.00 0.00 C ATOM 203 CG GLU A 665 -22.470 -12.031 -18.057 1.00 0.00 C ATOM 204 CD GLU A 665 -23.581 -11.639 -17.065 1.00 0.00 C ATOM 205 OE1 GLU A 665 -24.674 -12.251 -17.119 1.00 0.00 O ATOM 206 OE2 GLU A 665 -23.369 -10.722 -16.236 1.00 0.00 O ATOM 0 H GLU A 665 -19.619 -11.951 -17.018 1.00 0.00 H new ATOM 0 HA GLU A 665 -21.799 -13.305 -15.542 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -20.986 -13.539 -18.468 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -22.448 -14.161 -17.730 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -21.743 -11.220 -18.110 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -22.906 -12.133 -19.051 1.00 0.00 H new ATOM 213 N LEU A 666 -19.425 -15.025 -17.143 1.00 0.00 N ATOM 214 CA LEU A 666 -18.509 -16.194 -17.130 1.00 0.00 C ATOM 215 C LEU A 666 -17.222 -15.825 -17.882 1.00 0.00 C ATOM 216 O LEU A 666 -17.046 -14.678 -18.283 1.00 0.00 O ATOM 217 CB LEU A 666 -19.169 -17.443 -17.822 1.00 0.00 C ATOM 218 CG LEU A 666 -20.351 -18.134 -17.067 1.00 0.00 C ATOM 219 CD1 LEU A 666 -20.938 -19.299 -17.901 1.00 0.00 C ATOM 220 CD2 LEU A 666 -19.907 -18.622 -15.664 1.00 0.00 C ATOM 0 H LEU A 666 -19.410 -14.517 -18.027 1.00 0.00 H new ATOM 0 HA LEU A 666 -18.290 -16.452 -16.094 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -19.529 -17.135 -18.804 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -18.391 -18.189 -17.987 1.00 0.00 H new ATOM 0 HG LEU A 666 -21.138 -17.392 -16.929 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -21.758 -19.762 -17.352 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -21.308 -18.915 -18.852 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -20.161 -20.041 -18.087 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -20.749 -19.099 -15.161 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -19.093 -19.340 -15.769 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -19.566 -17.771 -15.074 1.00 0.00 H new ATOM 232 N ASP A 667 -16.327 -16.811 -18.038 1.00 0.00 N ATOM 233 CA ASP A 667 -15.230 -16.788 -19.021 1.00 0.00 C ATOM 234 C ASP A 667 -14.910 -18.234 -19.400 1.00 0.00 C ATOM 235 O ASP A 667 -14.057 -18.873 -18.780 1.00 0.00 O ATOM 236 CB ASP A 667 -13.946 -16.029 -18.523 1.00 0.00 C ATOM 237 CG ASP A 667 -14.012 -14.503 -18.749 1.00 0.00 C ATOM 238 OD1 ASP A 667 -13.996 -14.080 -19.927 1.00 0.00 O ATOM 239 OD2 ASP A 667 -14.123 -13.735 -17.762 1.00 0.00 O ATOM 0 H ASP A 667 -16.344 -17.662 -17.476 1.00 0.00 H new ATOM 0 HA ASP A 667 -15.562 -16.222 -19.891 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -13.805 -16.226 -17.460 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -13.073 -16.428 -19.040 1.00 0.00 H new ATOM 244 N GLN A 668 -15.649 -18.753 -20.395 1.00 0.00 N ATOM 245 CA GLN A 668 -15.478 -20.121 -20.916 1.00 0.00 C ATOM 246 C GLN A 668 -16.117 -20.224 -22.310 1.00 0.00 C ATOM 247 O GLN A 668 -17.287 -19.854 -22.492 1.00 0.00 O ATOM 248 CB GLN A 668 -16.089 -21.177 -19.953 1.00 0.00 C ATOM 249 CG GLN A 668 -17.567 -20.928 -19.553 1.00 0.00 C ATOM 250 CD GLN A 668 -18.132 -21.995 -18.611 1.00 0.00 C ATOM 251 OE1 GLN A 668 -18.680 -23.006 -19.055 1.00 0.00 O ATOM 252 NE2 GLN A 668 -17.998 -21.786 -17.305 1.00 0.00 N ATOM 0 H GLN A 668 -16.388 -18.231 -20.865 1.00 0.00 H new ATOM 0 HA GLN A 668 -14.411 -20.331 -20.992 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -16.016 -22.158 -20.422 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -15.485 -21.212 -19.047 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -17.646 -19.952 -19.073 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -18.178 -20.890 -20.455 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -17.540 -20.939 -16.968 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -18.354 -22.472 -16.640 1.00 0.00 H new ATOM 261 N ILE A 669 -15.362 -20.799 -23.263 1.00 0.00 N ATOM 262 CA ILE A 669 -15.713 -20.793 -24.710 1.00 0.00 C ATOM 263 C ILE A 669 -16.913 -21.731 -24.993 1.00 0.00 C ATOM 264 O ILE A 669 -17.555 -21.636 -26.054 1.00 0.00 O ATOM 265 CB ILE A 669 -14.457 -21.155 -25.613 1.00 0.00 C ATOM 266 CG1 ILE A 669 -13.254 -20.209 -25.277 1.00 0.00 C ATOM 267 CG2 ILE A 669 -14.783 -21.080 -27.136 1.00 0.00 C ATOM 268 CD1 ILE A 669 -11.992 -20.441 -26.096 1.00 0.00 C ATOM 0 H ILE A 669 -14.488 -21.284 -23.060 1.00 0.00 H new ATOM 0 HA ILE A 669 -16.017 -19.781 -24.977 1.00 0.00 H new ATOM 0 HB ILE A 669 -14.185 -22.186 -25.386 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -13.575 -19.177 -25.420 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -13.008 -20.323 -24.221 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -13.893 -21.336 -27.712 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -15.582 -21.783 -27.372 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -15.102 -20.069 -27.391 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -11.222 -19.735 -25.785 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -11.637 -21.459 -25.937 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -12.213 -20.295 -27.153 1.00 0.00 H new ATOM 280 N ASP A 670 -17.223 -22.609 -24.011 1.00 0.00 N ATOM 281 CA ASP A 670 -18.435 -23.457 -24.017 1.00 0.00 C ATOM 282 C ASP A 670 -19.705 -22.620 -24.286 1.00 0.00 C ATOM 283 O ASP A 670 -20.483 -22.918 -25.205 1.00 0.00 O ATOM 284 CB ASP A 670 -18.573 -24.200 -22.661 1.00 0.00 C ATOM 285 CG ASP A 670 -19.887 -25.004 -22.524 1.00 0.00 C ATOM 286 OD1 ASP A 670 -19.990 -26.109 -23.106 1.00 0.00 O ATOM 287 OD2 ASP A 670 -20.830 -24.530 -21.844 1.00 0.00 O ATOM 0 H ASP A 670 -16.636 -22.749 -23.189 1.00 0.00 H new ATOM 0 HA ASP A 670 -18.330 -24.185 -24.821 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -17.728 -24.878 -22.541 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -18.516 -23.473 -21.851 1.00 0.00 H new ATOM 292 N ARG A 671 -19.884 -21.567 -23.477 1.00 0.00 N ATOM 293 CA ARG A 671 -21.034 -20.663 -23.577 1.00 0.00 C ATOM 294 C ARG A 671 -20.653 -19.441 -24.422 1.00 0.00 C ATOM 295 O ARG A 671 -21.204 -19.226 -25.507 1.00 0.00 O ATOM 296 CB ARG A 671 -21.523 -20.244 -22.162 1.00 0.00 C ATOM 297 CG ARG A 671 -22.867 -19.478 -22.146 1.00 0.00 C ATOM 298 CD ARG A 671 -24.025 -20.276 -22.803 1.00 0.00 C ATOM 299 NE ARG A 671 -24.261 -21.589 -22.150 1.00 0.00 N ATOM 300 CZ ARG A 671 -24.089 -22.796 -22.723 1.00 0.00 C ATOM 301 NH1 ARG A 671 -23.653 -22.908 -23.966 1.00 0.00 N ATOM 302 NH2 ARG A 671 -24.346 -23.894 -22.030 1.00 0.00 N ATOM 0 H ARG A 671 -19.232 -21.319 -22.733 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.859 -21.179 -24.068 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -21.622 -21.138 -21.547 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -20.759 -19.621 -21.698 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -23.133 -19.243 -21.115 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -22.745 -18.529 -22.668 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -24.939 -19.684 -22.759 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -23.798 -20.435 -23.857 1.00 0.00 H new ATOM 0 HE ARG A 671 -24.582 -21.576 -21.182 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -23.440 -22.071 -24.509 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -23.529 -23.831 -24.382 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -24.673 -23.824 -21.066 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -24.217 -24.810 -22.460 1.00 0.00 H new ATOM 316 N LYS A 672 -19.690 -18.651 -23.922 1.00 0.00 N ATOM 317 CA LYS A 672 -19.256 -17.405 -24.575 1.00 0.00 C ATOM 318 C LYS A 672 -17.737 -17.433 -24.789 1.00 0.00 C ATOM 319 O LYS A 672 -16.998 -17.566 -23.813 1.00 0.00 O ATOM 320 CB LYS A 672 -19.640 -16.168 -23.724 1.00 0.00 C ATOM 321 CG LYS A 672 -21.160 -15.939 -23.557 1.00 0.00 C ATOM 322 CD LYS A 672 -21.907 -15.700 -24.895 1.00 0.00 C ATOM 323 CE LYS A 672 -21.420 -14.449 -25.647 1.00 0.00 C ATOM 324 NZ LYS A 672 -22.179 -14.225 -26.904 1.00 0.00 N ATOM 0 H LYS A 672 -19.191 -18.857 -23.056 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.761 -17.330 -25.538 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -19.192 -16.272 -22.736 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -19.202 -15.281 -24.181 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -21.596 -16.804 -23.058 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -21.319 -15.081 -22.904 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -21.780 -16.573 -25.535 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -22.974 -15.603 -24.695 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -21.521 -13.576 -25.002 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -20.360 -14.554 -25.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -21.819 -13.373 -27.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -22.062 -15.047 -27.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -23.187 -14.099 -26.683 1.00 0.00 H new ATOM 338 N PRO A 673 -17.245 -17.226 -26.048 1.00 0.00 N ATOM 339 CA PRO A 673 -15.807 -17.338 -26.373 1.00 0.00 C ATOM 340 C PRO A 673 -14.984 -16.306 -25.597 1.00 0.00 C ATOM 341 O PRO A 673 -15.481 -15.212 -25.355 1.00 0.00 O ATOM 342 CB PRO A 673 -15.751 -17.092 -27.901 1.00 0.00 C ATOM 343 CG PRO A 673 -17.009 -16.355 -28.232 1.00 0.00 C ATOM 344 CD PRO A 673 -18.045 -16.829 -27.235 1.00 0.00 C ATOM 0 HA PRO A 673 -15.383 -18.303 -26.097 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -14.871 -16.509 -28.173 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -15.691 -18.033 -28.448 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -16.861 -15.278 -28.158 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -17.326 -16.564 -29.254 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.756 -16.039 -26.992 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.622 -17.667 -27.626 1.00 0.00 H new ATOM 352 N ARG A 674 -13.741 -16.654 -25.203 1.00 0.00 N ATOM 353 CA ARG A 674 -12.920 -15.789 -24.334 1.00 0.00 C ATOM 354 C ARG A 674 -11.485 -15.612 -24.875 1.00 0.00 C ATOM 355 O ARG A 674 -10.848 -16.566 -25.328 1.00 0.00 O ATOM 356 CB ARG A 674 -12.896 -16.311 -22.866 1.00 0.00 C ATOM 357 CG ARG A 674 -12.246 -17.705 -22.664 1.00 0.00 C ATOM 358 CD ARG A 674 -11.851 -17.964 -21.198 1.00 0.00 C ATOM 359 NE ARG A 674 -11.047 -19.187 -21.042 1.00 0.00 N ATOM 360 CZ ARG A 674 -10.749 -19.775 -19.872 1.00 0.00 C ATOM 361 NH1 ARG A 674 -11.201 -19.287 -18.721 1.00 0.00 N ATOM 362 NH2 ARG A 674 -9.991 -20.858 -19.864 1.00 0.00 N ATOM 0 H ARG A 674 -13.286 -17.526 -25.473 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.393 -14.807 -24.337 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -12.362 -15.588 -22.250 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -13.920 -16.350 -22.496 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -12.942 -18.478 -22.992 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -11.361 -17.785 -23.295 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -11.287 -17.111 -20.820 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -12.752 -18.045 -20.590 1.00 0.00 H new ATOM 0 HE ARG A 674 -10.687 -19.623 -21.891 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -11.786 -18.451 -18.716 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -10.963 -19.748 -17.843 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -9.638 -21.240 -20.741 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -9.759 -21.312 -18.980 1.00 0.00 H new ATOM 376 N VAL A 675 -11.014 -14.352 -24.827 1.00 0.00 N ATOM 377 CA VAL A 675 -9.645 -13.947 -25.176 1.00 0.00 C ATOM 378 C VAL A 675 -8.819 -13.665 -23.894 1.00 0.00 C ATOM 379 O VAL A 675 -9.235 -12.903 -23.005 1.00 0.00 O ATOM 380 CB VAL A 675 -9.659 -12.681 -26.119 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.366 -13.013 -27.446 1.00 0.00 C ATOM 382 CG2 VAL A 675 -10.319 -11.444 -25.459 1.00 0.00 C ATOM 0 H VAL A 675 -11.595 -13.566 -24.535 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.173 -14.767 -25.717 1.00 0.00 H new ATOM 0 HB VAL A 675 -8.618 -12.420 -26.311 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.369 -12.132 -28.087 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -9.838 -13.824 -27.947 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.393 -13.319 -27.245 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -10.299 -10.606 -26.155 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -11.352 -11.677 -25.201 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -9.771 -11.178 -24.555 1.00 0.00 H new ATOM 392 N GLN A 676 -7.668 -14.336 -23.787 1.00 0.00 N ATOM 393 CA GLN A 676 -6.726 -14.168 -22.669 1.00 0.00 C ATOM 394 C GLN A 676 -5.707 -13.089 -23.048 1.00 0.00 C ATOM 395 O GLN A 676 -4.680 -13.386 -23.661 1.00 0.00 O ATOM 396 CB GLN A 676 -6.016 -15.522 -22.317 1.00 0.00 C ATOM 397 CG GLN A 676 -6.915 -16.599 -21.660 1.00 0.00 C ATOM 398 CD GLN A 676 -8.064 -17.070 -22.550 1.00 0.00 C ATOM 399 OE1 GLN A 676 -7.924 -18.015 -23.326 1.00 0.00 O ATOM 400 NE2 GLN A 676 -9.205 -16.406 -22.452 1.00 0.00 N ATOM 0 H GLN A 676 -7.358 -15.018 -24.479 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.270 -13.857 -21.777 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -5.592 -15.937 -23.231 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -5.183 -15.311 -21.646 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -6.300 -17.458 -21.392 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -7.326 -16.199 -20.733 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -9.287 -15.627 -21.798 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -10.002 -16.673 -23.030 1.00 0.00 H new ATOM 409 N CYS A 677 -6.040 -11.827 -22.724 1.00 0.00 N ATOM 410 CA CYS A 677 -5.237 -10.651 -23.093 1.00 0.00 C ATOM 411 C CYS A 677 -3.829 -10.730 -22.473 1.00 0.00 C ATOM 412 O CYS A 677 -3.617 -10.287 -21.343 1.00 0.00 O ATOM 413 CB CYS A 677 -5.943 -9.349 -22.659 1.00 0.00 C ATOM 414 SG CYS A 677 -5.040 -7.843 -23.141 1.00 0.00 S ATOM 0 H CYS A 677 -6.880 -11.594 -22.195 1.00 0.00 H new ATOM 0 HA CYS A 677 -5.133 -10.643 -24.178 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -6.941 -9.322 -23.097 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -6.070 -9.357 -21.577 1.00 0.00 H new ATOM 0 HG CYS A 677 -5.713 -6.795 -22.767 1.00 0.00 H new ATOM 419 N LEU A 678 -2.899 -11.313 -23.250 1.00 0.00 N ATOM 420 CA LEU A 678 -1.506 -11.608 -22.846 1.00 0.00 C ATOM 421 C LEU A 678 -0.740 -10.351 -22.371 1.00 0.00 C ATOM 422 O LEU A 678 0.148 -10.437 -21.516 1.00 0.00 O ATOM 423 CB LEU A 678 -0.791 -12.319 -24.046 1.00 0.00 C ATOM 424 CG LEU A 678 -0.763 -11.543 -25.430 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.473 -10.616 -25.573 1.00 0.00 C ATOM 426 CD2 LEU A 678 -0.870 -12.511 -26.637 1.00 0.00 C ATOM 0 H LEU A 678 -3.099 -11.602 -24.207 1.00 0.00 H new ATOM 0 HA LEU A 678 -1.518 -12.269 -21.980 1.00 0.00 H new ATOM 0 HB2 LEU A 678 0.238 -12.526 -23.753 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.276 -13.282 -24.207 1.00 0.00 H new ATOM 0 HG LEU A 678 -1.645 -10.902 -25.432 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.439 -10.111 -26.538 1.00 0.00 H new ATOM 0 HD12 LEU A 678 0.465 -9.874 -24.775 1.00 0.00 H new ATOM 0 HD13 LEU A 678 1.384 -11.211 -25.506 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -0.847 -11.939 -27.565 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.032 -13.208 -26.620 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -1.806 -13.067 -26.576 1.00 0.00 H new ATOM 438 N LYS A 679 -1.129 -9.185 -22.926 1.00 0.00 N ATOM 439 CA LYS A 679 -0.488 -7.887 -22.659 1.00 0.00 C ATOM 440 C LYS A 679 -0.688 -7.415 -21.197 1.00 0.00 C ATOM 441 O LYS A 679 0.153 -6.687 -20.667 1.00 0.00 O ATOM 442 CB LYS A 679 -1.013 -6.835 -23.683 1.00 0.00 C ATOM 443 CG LYS A 679 -0.425 -5.401 -23.538 1.00 0.00 C ATOM 444 CD LYS A 679 -0.504 -4.569 -24.844 1.00 0.00 C ATOM 445 CE LYS A 679 0.404 -5.132 -25.957 1.00 0.00 C ATOM 446 NZ LYS A 679 0.501 -4.227 -27.127 1.00 0.00 N ATOM 0 H LYS A 679 -1.908 -9.121 -23.581 1.00 0.00 H new ATOM 0 HA LYS A 679 0.588 -8.004 -22.785 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.799 -7.196 -24.689 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -2.097 -6.774 -23.590 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -0.960 -4.875 -22.748 1.00 0.00 H new ATOM 0 HG3 LYS A 679 0.616 -5.473 -23.224 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -1.535 -4.548 -25.196 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -0.218 -3.538 -24.633 1.00 0.00 H new ATOM 0 HE2 LYS A 679 1.401 -5.306 -25.553 1.00 0.00 H new ATOM 0 HE3 LYS A 679 0.018 -6.099 -26.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 0.451 -4.785 -28.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -0.284 -3.546 -27.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 1.405 -3.714 -27.095 1.00 0.00 H new ATOM 460 N CYS A 680 -1.779 -7.850 -20.531 1.00 0.00 N ATOM 461 CA CYS A 680 -2.042 -7.455 -19.122 1.00 0.00 C ATOM 462 C CYS A 680 -2.645 -8.619 -18.300 1.00 0.00 C ATOM 463 O CYS A 680 -3.167 -8.386 -17.205 1.00 0.00 O ATOM 464 CB CYS A 680 -2.959 -6.200 -19.075 1.00 0.00 C ATOM 465 SG CYS A 680 -4.685 -6.503 -19.566 1.00 0.00 S ATOM 0 H CYS A 680 -2.485 -8.466 -20.935 1.00 0.00 H new ATOM 0 HA CYS A 680 -1.086 -7.204 -18.662 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -2.949 -5.797 -18.062 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -2.539 -5.435 -19.727 1.00 0.00 H new ATOM 0 HG CYS A 680 -4.717 -6.952 -20.786 1.00 0.00 H new ATOM 470 N HIS A 681 -2.535 -9.869 -18.835 1.00 0.00 N ATOM 471 CA HIS A 681 -3.038 -11.121 -18.187 1.00 0.00 C ATOM 472 C HIS A 681 -4.523 -10.995 -17.749 1.00 0.00 C ATOM 473 O HIS A 681 -4.923 -11.462 -16.679 1.00 0.00 O ATOM 474 CB HIS A 681 -2.115 -11.536 -17.003 1.00 0.00 C ATOM 475 CG HIS A 681 -0.694 -11.838 -17.413 1.00 0.00 C ATOM 476 ND1 HIS A 681 0.399 -11.168 -16.906 1.00 0.00 N ATOM 477 CD2 HIS A 681 -0.195 -12.755 -18.279 1.00 0.00 C ATOM 478 CE1 HIS A 681 1.501 -11.655 -17.439 1.00 0.00 C ATOM 479 NE2 HIS A 681 1.169 -12.617 -18.274 1.00 0.00 N ATOM 0 H HIS A 681 -2.091 -10.039 -19.737 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.005 -11.917 -18.931 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -2.107 -10.736 -16.263 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -2.537 -12.415 -16.517 1.00 0.00 H new ATOM 0 HD2 HIS A 681 -0.766 -13.462 -18.863 1.00 0.00 H new ATOM 0 HE1 HIS A 681 2.506 -11.322 -17.227 1.00 0.00 H new ATOM 0 HE2 HIS A 681 1.822 -13.171 -18.828 1.00 0.00 H new ATOM 488 N LEU A 682 -5.335 -10.405 -18.638 1.00 0.00 N ATOM 489 CA LEU A 682 -6.751 -10.075 -18.383 1.00 0.00 C ATOM 490 C LEU A 682 -7.615 -11.058 -19.182 1.00 0.00 C ATOM 491 O LEU A 682 -7.463 -11.148 -20.402 1.00 0.00 O ATOM 492 CB LEU A 682 -6.977 -8.585 -18.805 1.00 0.00 C ATOM 493 CG LEU A 682 -8.368 -7.903 -18.545 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.467 -8.408 -19.487 1.00 0.00 C ATOM 495 CD2 LEU A 682 -8.794 -8.036 -17.077 1.00 0.00 C ATOM 0 H LEU A 682 -5.024 -10.138 -19.572 1.00 0.00 H new ATOM 0 HA LEU A 682 -7.025 -10.170 -17.332 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -6.221 -7.985 -18.298 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -6.775 -8.516 -19.874 1.00 0.00 H new ATOM 0 HG LEU A 682 -8.232 -6.844 -18.765 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.404 -7.900 -19.258 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -9.185 -8.201 -20.519 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.595 -9.482 -19.354 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -9.761 -7.553 -16.933 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -8.873 -9.091 -16.815 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -8.051 -7.558 -16.438 1.00 0.00 H new ATOM 507 N TRP A 683 -8.535 -11.772 -18.511 1.00 0.00 N ATOM 508 CA TRP A 683 -9.365 -12.813 -19.162 1.00 0.00 C ATOM 509 C TRP A 683 -10.729 -12.204 -19.529 1.00 0.00 C ATOM 510 O TRP A 683 -11.587 -12.034 -18.658 1.00 0.00 O ATOM 511 CB TRP A 683 -9.556 -14.070 -18.243 1.00 0.00 C ATOM 512 CG TRP A 683 -8.360 -14.468 -17.383 1.00 0.00 C ATOM 513 CD1 TRP A 683 -8.414 -14.834 -16.067 1.00 0.00 C ATOM 514 CD2 TRP A 683 -6.951 -14.535 -17.748 1.00 0.00 C ATOM 515 NE1 TRP A 683 -7.162 -15.132 -15.601 1.00 0.00 N ATOM 516 CE2 TRP A 683 -6.251 -14.951 -16.603 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.219 -14.297 -18.918 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -4.869 -15.116 -16.584 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -4.846 -14.465 -18.903 1.00 0.00 C ATOM 520 CH2 TRP A 683 -4.183 -14.876 -17.742 1.00 0.00 C ATOM 0 H TRP A 683 -8.726 -11.651 -17.517 1.00 0.00 H new ATOM 0 HA TRP A 683 -8.852 -13.153 -20.062 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.405 -13.886 -17.584 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -9.820 -14.918 -18.874 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -9.318 -14.881 -15.478 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -6.943 -15.441 -14.654 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -6.721 -13.986 -19.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -4.356 -15.423 -15.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -4.277 -14.276 -19.801 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.111 -15.006 -17.761 1.00 0.00 H new ATOM 531 N GLN A 684 -10.907 -11.832 -20.806 1.00 0.00 N ATOM 532 CA GLN A 684 -12.164 -11.212 -21.297 1.00 0.00 C ATOM 533 C GLN A 684 -12.826 -12.127 -22.330 1.00 0.00 C ATOM 534 O GLN A 684 -12.221 -13.092 -22.753 1.00 0.00 O ATOM 535 CB GLN A 684 -11.869 -9.802 -21.904 1.00 0.00 C ATOM 536 CG GLN A 684 -13.024 -8.760 -21.714 1.00 0.00 C ATOM 537 CD GLN A 684 -12.561 -7.468 -21.034 1.00 0.00 C ATOM 538 OE1 GLN A 684 -12.241 -6.483 -21.690 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.455 -7.496 -19.711 1.00 0.00 N ATOM 0 H GLN A 684 -10.195 -11.948 -21.528 1.00 0.00 H new ATOM 0 HA GLN A 684 -12.852 -11.083 -20.461 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -10.961 -9.407 -21.448 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.669 -9.913 -22.970 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -13.451 -8.518 -22.687 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -13.819 -9.212 -21.120 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -12.730 -8.332 -19.195 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -12.099 -6.682 -19.211 1.00 0.00 H new ATOM 548 N HIS A 685 -14.088 -11.837 -22.702 1.00 0.00 N ATOM 549 CA HIS A 685 -14.778 -12.565 -23.789 1.00 0.00 C ATOM 550 C HIS A 685 -14.422 -11.975 -25.166 1.00 0.00 C ATOM 551 O HIS A 685 -14.321 -10.756 -25.308 1.00 0.00 O ATOM 552 CB HIS A 685 -16.317 -12.546 -23.621 1.00 0.00 C ATOM 553 CG HIS A 685 -16.867 -13.404 -22.509 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.866 -12.926 -21.714 1.00 0.00 N ATOM 555 CD2 HIS A 685 -16.595 -14.687 -22.172 1.00 0.00 C ATOM 556 CE1 HIS A 685 -18.189 -13.918 -20.910 1.00 0.00 C ATOM 557 NE2 HIS A 685 -17.445 -15.013 -21.152 1.00 0.00 N ATOM 0 H HIS A 685 -14.651 -11.106 -22.268 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.433 -13.597 -23.730 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.632 -11.517 -23.450 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -16.770 -12.866 -24.559 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -15.851 -15.328 -22.622 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -18.955 -13.860 -20.151 1.00 0.00 H new ATOM 0 HE2 HIS A 685 -17.504 -15.910 -20.669 1.00 0.00 H new ATOM 565 N ALA A 686 -14.268 -12.859 -26.167 1.00 0.00 N ATOM 566 CA ALA A 686 -14.114 -12.477 -27.574 1.00 0.00 C ATOM 567 C ALA A 686 -15.324 -11.642 -28.053 1.00 0.00 C ATOM 568 O ALA A 686 -15.161 -10.539 -28.566 1.00 0.00 O ATOM 569 CB ALA A 686 -13.933 -13.735 -28.436 1.00 0.00 C ATOM 0 H ALA A 686 -14.247 -13.868 -26.016 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.225 -11.854 -27.676 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -13.819 -13.447 -29.481 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -13.044 -14.275 -28.109 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -14.807 -14.377 -28.330 1.00 0.00 H new ATOM 575 N LYS A 687 -16.544 -12.151 -27.804 1.00 0.00 N ATOM 576 CA LYS A 687 -17.813 -11.476 -28.205 1.00 0.00 C ATOM 577 C LYS A 687 -18.173 -10.284 -27.284 1.00 0.00 C ATOM 578 O LYS A 687 -19.278 -9.740 -27.375 1.00 0.00 O ATOM 579 CB LYS A 687 -18.980 -12.523 -28.272 1.00 0.00 C ATOM 580 CG LYS A 687 -19.346 -12.998 -29.703 1.00 0.00 C ATOM 581 CD LYS A 687 -18.135 -13.543 -30.495 1.00 0.00 C ATOM 582 CE LYS A 687 -18.515 -14.073 -31.887 1.00 0.00 C ATOM 583 NZ LYS A 687 -19.124 -13.037 -32.760 1.00 0.00 N ATOM 0 H LYS A 687 -16.689 -13.038 -27.322 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.661 -11.053 -29.198 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -18.704 -13.392 -27.675 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -19.867 -12.088 -27.811 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -20.107 -13.775 -29.637 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -19.786 -12.166 -30.253 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -17.394 -12.751 -30.604 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -17.665 -14.344 -29.924 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -17.624 -14.471 -32.373 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -19.214 -14.902 -31.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -19.311 -13.441 -33.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -20.017 -12.710 -32.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -18.470 -12.233 -32.853 1.00 0.00 H new ATOM 597 N CYS A 688 -17.245 -9.893 -26.402 1.00 0.00 N ATOM 598 CA CYS A 688 -17.344 -8.651 -25.605 1.00 0.00 C ATOM 599 C CYS A 688 -16.270 -7.631 -26.037 1.00 0.00 C ATOM 600 O CYS A 688 -16.323 -6.465 -25.636 1.00 0.00 O ATOM 601 CB CYS A 688 -17.202 -8.966 -24.107 1.00 0.00 C ATOM 602 SG CYS A 688 -18.606 -9.890 -23.387 1.00 0.00 S ATOM 0 H CYS A 688 -16.397 -10.428 -26.216 1.00 0.00 H new ATOM 0 HA CYS A 688 -18.325 -8.211 -25.783 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -16.289 -9.542 -23.955 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -17.083 -8.030 -23.562 1.00 0.00 H new ATOM 0 HG CYS A 688 -18.393 -10.085 -22.120 1.00 0.00 H new ATOM 607 N VAL A 689 -15.272 -8.089 -26.834 1.00 0.00 N ATOM 608 CA VAL A 689 -14.166 -7.235 -27.340 1.00 0.00 C ATOM 609 C VAL A 689 -14.202 -7.125 -28.888 1.00 0.00 C ATOM 610 O VAL A 689 -13.221 -6.685 -29.499 1.00 0.00 O ATOM 611 CB VAL A 689 -12.753 -7.762 -26.844 1.00 0.00 C ATOM 612 CG1 VAL A 689 -12.717 -7.910 -25.307 1.00 0.00 C ATOM 613 CG2 VAL A 689 -12.347 -9.087 -27.525 1.00 0.00 C ATOM 0 H VAL A 689 -15.211 -9.059 -27.144 1.00 0.00 H new ATOM 0 HA VAL A 689 -14.313 -6.236 -26.929 1.00 0.00 H new ATOM 0 HB VAL A 689 -12.022 -7.009 -27.137 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -11.736 -8.273 -24.999 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -12.908 -6.942 -24.844 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -13.482 -8.620 -24.992 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -11.374 -9.405 -27.151 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -13.089 -9.853 -27.301 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -12.291 -8.940 -28.604 1.00 0.00 H new ATOM 623 N ASN A 690 -15.357 -7.515 -29.499 1.00 0.00 N ATOM 624 CA ASN A 690 -15.607 -7.429 -30.973 1.00 0.00 C ATOM 625 C ASN A 690 -14.679 -8.390 -31.764 1.00 0.00 C ATOM 626 O ASN A 690 -14.263 -8.102 -32.893 1.00 0.00 O ATOM 627 CB ASN A 690 -15.488 -5.955 -31.507 1.00 0.00 C ATOM 628 CG ASN A 690 -16.455 -4.945 -30.866 1.00 0.00 C ATOM 629 OD1 ASN A 690 -16.854 -5.070 -29.709 1.00 0.00 O ATOM 630 ND2 ASN A 690 -16.837 -3.925 -31.622 1.00 0.00 N ATOM 0 H ASN A 690 -16.147 -7.901 -28.982 1.00 0.00 H new ATOM 0 HA ASN A 690 -16.636 -7.749 -31.138 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -14.467 -5.609 -31.346 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -15.656 -5.961 -32.584 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -17.475 -3.223 -31.247 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -16.493 -3.842 -32.579 1.00 0.00 H new ATOM 637 N TYR A 691 -14.405 -9.546 -31.160 1.00 0.00 N ATOM 638 CA TYR A 691 -13.483 -10.585 -31.680 1.00 0.00 C ATOM 639 C TYR A 691 -14.239 -11.942 -31.707 1.00 0.00 C ATOM 640 O TYR A 691 -15.362 -12.025 -31.200 1.00 0.00 O ATOM 641 CB TYR A 691 -12.238 -10.607 -30.737 1.00 0.00 C ATOM 642 CG TYR A 691 -10.997 -11.380 -31.219 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.048 -10.782 -32.054 1.00 0.00 C ATOM 644 CD2 TYR A 691 -10.760 -12.686 -30.810 1.00 0.00 C ATOM 645 CE1 TYR A 691 -8.923 -11.468 -32.458 1.00 0.00 C ATOM 646 CE2 TYR A 691 -9.640 -13.367 -31.210 1.00 0.00 C ATOM 647 CZ TYR A 691 -8.725 -12.760 -32.031 1.00 0.00 C ATOM 648 OH TYR A 691 -7.611 -13.452 -32.437 1.00 0.00 O ATOM 0 H TYR A 691 -14.826 -9.804 -30.267 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.145 -10.382 -32.696 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -11.940 -9.576 -30.549 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -12.547 -11.029 -29.781 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -10.199 -9.766 -32.388 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -11.473 -13.175 -30.163 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -8.201 -10.994 -33.106 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -9.478 -14.382 -30.878 1.00 0.00 H new ATOM 0 HH TYR A 691 -7.861 -14.093 -33.135 1.00 0.00 H new ATOM 658 N ASP A 692 -13.647 -12.996 -32.294 1.00 0.00 N ATOM 659 CA ASP A 692 -14.276 -14.347 -32.353 1.00 0.00 C ATOM 660 C ASP A 692 -13.249 -15.452 -32.059 1.00 0.00 C ATOM 661 O ASP A 692 -12.043 -15.243 -32.201 1.00 0.00 O ATOM 662 CB ASP A 692 -14.940 -14.579 -33.737 1.00 0.00 C ATOM 663 CG ASP A 692 -13.949 -14.459 -34.906 1.00 0.00 C ATOM 664 OD1 ASP A 692 -13.719 -13.335 -35.388 1.00 0.00 O ATOM 665 OD2 ASP A 692 -13.374 -15.480 -35.329 1.00 0.00 O ATOM 0 H ASP A 692 -12.730 -12.948 -32.739 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.047 -14.391 -31.584 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -15.395 -15.569 -33.754 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -15.744 -13.856 -33.874 1.00 0.00 H new ATOM 670 N GLU A 693 -13.745 -16.648 -31.680 1.00 0.00 N ATOM 671 CA GLU A 693 -12.884 -17.784 -31.273 1.00 0.00 C ATOM 672 C GLU A 693 -12.234 -18.489 -32.488 1.00 0.00 C ATOM 673 O GLU A 693 -11.179 -19.146 -32.351 1.00 0.00 O ATOM 674 CB GLU A 693 -13.666 -18.784 -30.368 1.00 0.00 C ATOM 675 CG GLU A 693 -14.901 -19.478 -31.008 1.00 0.00 C ATOM 676 CD GLU A 693 -14.602 -20.873 -31.581 1.00 0.00 C ATOM 677 OE1 GLU A 693 -14.438 -21.820 -30.789 1.00 0.00 O ATOM 678 OE2 GLU A 693 -14.480 -21.027 -32.815 1.00 0.00 O ATOM 0 H GLU A 693 -14.743 -16.855 -31.647 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.065 -17.375 -30.681 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -12.973 -19.558 -30.037 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -13.998 -18.250 -29.477 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -15.687 -19.565 -30.257 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -15.290 -18.844 -31.805 1.00 0.00 H new ATOM 685 N LYS A 694 -12.845 -18.314 -33.675 1.00 0.00 N ATOM 686 CA LYS A 694 -12.364 -18.925 -34.931 1.00 0.00 C ATOM 687 C LYS A 694 -10.946 -18.407 -35.277 1.00 0.00 C ATOM 688 O LYS A 694 -10.046 -19.202 -35.581 1.00 0.00 O ATOM 689 CB LYS A 694 -13.351 -18.667 -36.118 1.00 0.00 C ATOM 690 CG LYS A 694 -14.747 -19.345 -36.003 1.00 0.00 C ATOM 691 CD LYS A 694 -15.704 -18.675 -34.982 1.00 0.00 C ATOM 692 CE LYS A 694 -17.035 -19.448 -34.819 1.00 0.00 C ATOM 693 NZ LYS A 694 -17.772 -19.581 -36.106 1.00 0.00 N ATOM 0 H LYS A 694 -13.684 -17.746 -33.791 1.00 0.00 H new ATOM 0 HA LYS A 694 -12.316 -20.003 -34.776 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.498 -17.591 -36.215 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -12.878 -19.008 -37.039 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -15.221 -19.340 -36.984 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -14.608 -20.389 -35.721 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -15.207 -18.606 -34.014 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -15.917 -17.656 -35.304 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -16.830 -20.440 -34.416 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -17.665 -18.933 -34.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -18.687 -20.045 -35.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -17.933 -18.638 -36.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -17.212 -20.153 -36.769 1.00 0.00 H new ATOM 707 N ASN A 695 -10.752 -17.072 -35.200 1.00 0.00 N ATOM 708 CA ASN A 695 -9.430 -16.438 -35.449 1.00 0.00 C ATOM 709 C ASN A 695 -8.629 -16.272 -34.145 1.00 0.00 C ATOM 710 O ASN A 695 -7.502 -15.814 -34.174 1.00 0.00 O ATOM 711 CB ASN A 695 -9.570 -15.087 -36.223 1.00 0.00 C ATOM 712 CG ASN A 695 -10.002 -13.846 -35.414 1.00 0.00 C ATOM 713 OD1 ASN A 695 -9.681 -12.715 -35.784 1.00 0.00 O ATOM 714 ND2 ASN A 695 -10.722 -14.015 -34.322 1.00 0.00 N ATOM 0 H ASN A 695 -11.492 -16.409 -34.968 1.00 0.00 H new ATOM 0 HA ASN A 695 -8.864 -17.113 -36.091 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -8.611 -14.866 -36.691 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -10.291 -15.233 -37.027 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -11.018 -13.206 -33.776 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -10.983 -14.955 -34.024 1.00 0.00 H new ATOM 721 N LEU A 696 -9.230 -16.653 -32.999 1.00 0.00 N ATOM 722 CA LEU A 696 -8.513 -16.782 -31.701 1.00 0.00 C ATOM 723 C LEU A 696 -7.414 -17.853 -31.818 1.00 0.00 C ATOM 724 O LEU A 696 -6.328 -17.710 -31.247 1.00 0.00 O ATOM 725 CB LEU A 696 -9.532 -17.145 -30.589 1.00 0.00 C ATOM 726 CG LEU A 696 -9.021 -17.426 -29.141 1.00 0.00 C ATOM 727 CD1 LEU A 696 -8.396 -16.179 -28.511 1.00 0.00 C ATOM 728 CD2 LEU A 696 -10.170 -17.974 -28.257 1.00 0.00 C ATOM 0 H LEU A 696 -10.223 -16.881 -32.941 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.037 -15.836 -31.442 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.254 -16.330 -30.528 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -10.076 -18.029 -30.921 1.00 0.00 H new ATOM 0 HG LEU A 696 -8.240 -18.184 -29.205 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -8.052 -16.414 -27.504 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -7.551 -15.851 -29.116 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -9.140 -15.383 -28.464 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -9.796 -18.164 -27.251 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -10.976 -17.241 -28.212 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -10.548 -18.902 -28.685 1.00 0.00 H new ATOM 740 N LYS A 697 -7.728 -18.927 -32.582 1.00 0.00 N ATOM 741 CA LYS A 697 -6.738 -19.978 -32.960 1.00 0.00 C ATOM 742 C LYS A 697 -5.480 -19.401 -33.680 1.00 0.00 C ATOM 743 O LYS A 697 -4.385 -19.956 -33.559 1.00 0.00 O ATOM 744 CB LYS A 697 -7.400 -21.087 -33.862 1.00 0.00 C ATOM 745 CG LYS A 697 -7.939 -22.318 -33.094 1.00 0.00 C ATOM 746 CD LYS A 697 -9.280 -22.077 -32.367 1.00 0.00 C ATOM 747 CE LYS A 697 -10.488 -22.097 -33.322 1.00 0.00 C ATOM 748 NZ LYS A 697 -11.766 -22.008 -32.578 1.00 0.00 N ATOM 0 H LYS A 697 -8.663 -19.093 -32.953 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.405 -20.423 -32.022 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -8.221 -20.638 -34.420 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -6.666 -21.426 -34.593 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -8.063 -23.143 -33.795 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.194 -22.630 -32.362 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -9.415 -22.841 -31.601 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -9.243 -21.115 -31.855 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -10.414 -21.265 -34.022 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.472 -23.013 -33.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.560 -22.160 -33.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -11.786 -22.735 -31.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -11.850 -21.067 -32.144 1.00 0.00 H new ATOM 762 N ILE A 698 -5.649 -18.297 -34.431 1.00 0.00 N ATOM 763 CA ILE A 698 -4.615 -17.784 -35.368 1.00 0.00 C ATOM 764 C ILE A 698 -3.974 -16.485 -34.834 1.00 0.00 C ATOM 765 O ILE A 698 -2.808 -16.442 -34.431 1.00 0.00 O ATOM 766 CB ILE A 698 -5.256 -17.485 -36.792 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.246 -18.618 -37.206 1.00 0.00 C ATOM 768 CG2 ILE A 698 -4.161 -17.261 -37.871 1.00 0.00 C ATOM 769 CD1 ILE A 698 -7.037 -18.343 -38.473 1.00 0.00 C ATOM 0 H ILE A 698 -6.499 -17.733 -34.411 1.00 0.00 H new ATOM 0 HA ILE A 698 -3.847 -18.553 -35.458 1.00 0.00 H new ATOM 0 HB ILE A 698 -5.826 -16.559 -36.715 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -5.683 -19.542 -37.340 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -6.946 -18.787 -36.387 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -4.633 -17.059 -38.832 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -3.539 -16.412 -37.587 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -3.542 -18.154 -37.952 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -7.697 -19.185 -38.680 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -7.632 -17.439 -38.341 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -6.350 -18.206 -39.308 1.00 0.00 H new ATOM 781 N LYS A 699 -4.803 -15.446 -34.844 1.00 0.00 N ATOM 782 CA LYS A 699 -4.428 -14.034 -34.662 1.00 0.00 C ATOM 783 C LYS A 699 -4.287 -13.627 -33.175 1.00 0.00 C ATOM 784 O LYS A 699 -4.851 -14.294 -32.300 1.00 0.00 O ATOM 785 CB LYS A 699 -5.528 -13.202 -35.382 1.00 0.00 C ATOM 786 CG LYS A 699 -5.466 -13.341 -36.921 1.00 0.00 C ATOM 787 CD LYS A 699 -6.764 -12.904 -37.622 1.00 0.00 C ATOM 788 CE LYS A 699 -7.092 -11.424 -37.405 1.00 0.00 C ATOM 789 NZ LYS A 699 -8.412 -11.055 -37.976 1.00 0.00 N ATOM 0 H LYS A 699 -5.806 -15.564 -34.986 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.441 -13.851 -35.086 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.509 -13.522 -35.031 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -5.420 -12.152 -35.111 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -4.637 -12.743 -37.300 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -5.254 -14.379 -37.177 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -6.676 -13.098 -38.691 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -7.591 -13.511 -37.255 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -7.085 -11.204 -36.337 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -6.316 -10.810 -37.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -8.528 -10.022 -37.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -8.466 -11.379 -38.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -9.168 -11.505 -37.422 1.00 0.00 H new ATOM 803 N PRO A 700 -3.509 -12.525 -32.872 1.00 0.00 N ATOM 804 CA PRO A 700 -3.427 -11.920 -31.505 1.00 0.00 C ATOM 805 C PRO A 700 -4.795 -11.404 -30.997 1.00 0.00 C ATOM 806 O PRO A 700 -5.692 -11.094 -31.790 1.00 0.00 O ATOM 807 CB PRO A 700 -2.419 -10.750 -31.691 1.00 0.00 C ATOM 808 CG PRO A 700 -2.465 -10.460 -33.161 1.00 0.00 C ATOM 809 CD PRO A 700 -2.611 -11.802 -33.819 1.00 0.00 C ATOM 0 HA PRO A 700 -3.117 -12.647 -30.754 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.707 -9.878 -31.103 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -1.416 -11.033 -31.371 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -3.302 -9.806 -33.408 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -1.558 -9.955 -33.492 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -3.049 -11.722 -34.814 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.651 -12.305 -33.933 1.00 0.00 H new ATOM 817 N PHE A 701 -4.920 -11.293 -29.665 1.00 0.00 N ATOM 818 CA PHE A 701 -6.198 -11.024 -28.991 1.00 0.00 C ATOM 819 C PHE A 701 -5.960 -10.253 -27.682 1.00 0.00 C ATOM 820 O PHE A 701 -5.103 -10.632 -26.869 1.00 0.00 O ATOM 821 CB PHE A 701 -6.948 -12.360 -28.737 1.00 0.00 C ATOM 822 CG PHE A 701 -6.093 -13.507 -28.169 1.00 0.00 C ATOM 823 CD1 PHE A 701 -5.403 -14.375 -29.023 1.00 0.00 C ATOM 824 CD2 PHE A 701 -5.993 -13.727 -26.797 1.00 0.00 C ATOM 825 CE1 PHE A 701 -4.654 -15.421 -28.522 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.237 -14.777 -26.302 1.00 0.00 C ATOM 827 CZ PHE A 701 -4.569 -15.619 -27.161 1.00 0.00 C ATOM 0 H PHE A 701 -4.133 -11.388 -29.023 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.821 -10.400 -29.631 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -7.770 -12.169 -28.048 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -7.390 -12.692 -29.676 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -5.457 -14.224 -30.091 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -6.510 -13.072 -26.112 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -4.134 -16.085 -29.197 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -5.172 -14.936 -25.236 1.00 0.00 H new ATOM 0 HZ PHE A 701 -3.979 -16.434 -26.769 1.00 0.00 H new ATOM 837 N TYR A 702 -6.714 -9.149 -27.495 1.00 0.00 N ATOM 838 CA TYR A 702 -6.530 -8.217 -26.363 1.00 0.00 C ATOM 839 C TYR A 702 -7.881 -7.702 -25.839 1.00 0.00 C ATOM 840 O TYR A 702 -8.921 -7.843 -26.487 1.00 0.00 O ATOM 841 CB TYR A 702 -5.638 -7.000 -26.777 1.00 0.00 C ATOM 842 CG TYR A 702 -4.264 -7.395 -27.345 1.00 0.00 C ATOM 843 CD1 TYR A 702 -3.228 -7.805 -26.503 1.00 0.00 C ATOM 844 CD2 TYR A 702 -4.024 -7.398 -28.723 1.00 0.00 C ATOM 845 CE1 TYR A 702 -2.011 -8.197 -27.014 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.808 -7.798 -29.234 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.805 -8.192 -28.377 1.00 0.00 C ATOM 848 OH TYR A 702 -0.589 -8.589 -28.879 1.00 0.00 O ATOM 0 H TYR A 702 -7.469 -8.879 -28.126 1.00 0.00 H new ATOM 0 HA TYR A 702 -6.031 -8.772 -25.568 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -6.171 -6.409 -27.522 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -5.490 -6.359 -25.908 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -3.384 -7.815 -25.434 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -4.805 -7.081 -29.398 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -1.219 -8.508 -26.348 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -2.643 -7.802 -30.301 1.00 0.00 H new ATOM 0 HH TYR A 702 -0.604 -8.530 -29.857 1.00 0.00 H new ATOM 858 N CYS A 703 -7.829 -7.117 -24.633 1.00 0.00 N ATOM 859 CA CYS A 703 -8.950 -6.369 -24.036 1.00 0.00 C ATOM 860 C CYS A 703 -8.942 -4.921 -24.594 1.00 0.00 C ATOM 861 O CYS A 703 -7.845 -4.392 -24.847 1.00 0.00 O ATOM 862 CB CYS A 703 -8.813 -6.362 -22.491 1.00 0.00 C ATOM 863 SG CYS A 703 -7.538 -5.238 -21.830 1.00 0.00 S ATOM 0 H CYS A 703 -7.001 -7.149 -24.038 1.00 0.00 H new ATOM 0 HA CYS A 703 -9.896 -6.846 -24.292 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -9.775 -6.089 -22.058 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -8.590 -7.375 -22.157 1.00 0.00 H new ATOM 0 HG CYS A 703 -6.700 -5.913 -21.100 1.00 0.00 H new ATOM 868 N PRO A 704 -10.143 -4.253 -24.763 1.00 0.00 N ATOM 869 CA PRO A 704 -10.268 -2.916 -25.426 1.00 0.00 C ATOM 870 C PRO A 704 -9.348 -1.826 -24.823 1.00 0.00 C ATOM 871 O PRO A 704 -8.872 -0.957 -25.552 1.00 0.00 O ATOM 872 CB PRO A 704 -11.777 -2.551 -25.235 1.00 0.00 C ATOM 873 CG PRO A 704 -12.256 -3.461 -24.145 1.00 0.00 C ATOM 874 CD PRO A 704 -11.479 -4.734 -24.332 1.00 0.00 C ATOM 0 HA PRO A 704 -9.954 -2.965 -26.469 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -11.899 -1.504 -24.958 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -12.341 -2.705 -26.155 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -12.074 -3.028 -23.161 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -13.329 -3.638 -24.222 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -11.421 -5.310 -23.409 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -11.937 -5.379 -25.082 1.00 0.00 H new ATOM 882 N HIS A 705 -9.077 -1.914 -23.502 1.00 0.00 N ATOM 883 CA HIS A 705 -8.262 -0.911 -22.783 1.00 0.00 C ATOM 884 C HIS A 705 -6.803 -0.897 -23.293 1.00 0.00 C ATOM 885 O HIS A 705 -6.194 0.164 -23.375 1.00 0.00 O ATOM 886 CB HIS A 705 -8.315 -1.164 -21.248 1.00 0.00 C ATOM 887 CG HIS A 705 -7.703 -0.071 -20.388 1.00 0.00 C ATOM 888 ND1 HIS A 705 -7.328 -0.269 -19.073 1.00 0.00 N ATOM 889 CD2 HIS A 705 -7.425 1.232 -20.652 1.00 0.00 C ATOM 890 CE1 HIS A 705 -6.852 0.858 -18.577 1.00 0.00 C ATOM 891 NE2 HIS A 705 -6.899 1.777 -19.515 1.00 0.00 N ATOM 0 H HIS A 705 -9.413 -2.674 -22.910 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.686 0.073 -22.984 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -9.356 -1.295 -20.954 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -7.803 -2.102 -21.033 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -7.590 1.743 -21.589 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -6.486 1.000 -17.571 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -6.592 2.744 -19.411 1.00 0.00 H new ATOM 900 N CYS A 706 -6.260 -2.080 -23.649 1.00 0.00 N ATOM 901 CA CYS A 706 -4.888 -2.187 -24.206 1.00 0.00 C ATOM 902 C CYS A 706 -4.796 -1.561 -25.606 1.00 0.00 C ATOM 903 O CYS A 706 -3.748 -1.028 -25.970 1.00 0.00 O ATOM 904 CB CYS A 706 -4.394 -3.645 -24.231 1.00 0.00 C ATOM 905 SG CYS A 706 -3.938 -4.284 -22.591 1.00 0.00 S ATOM 0 H CYS A 706 -6.745 -2.973 -23.563 1.00 0.00 H new ATOM 0 HA CYS A 706 -4.233 -1.624 -23.541 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -5.174 -4.277 -24.655 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -3.531 -3.717 -24.893 1.00 0.00 H new ATOM 0 HG CYS A 706 -4.213 -5.553 -22.528 1.00 0.00 H new ATOM 910 N LEU A 707 -5.901 -1.619 -26.379 1.00 0.00 N ATOM 911 CA LEU A 707 -5.973 -0.967 -27.703 1.00 0.00 C ATOM 912 C LEU A 707 -5.838 0.560 -27.525 1.00 0.00 C ATOM 913 O LEU A 707 -4.974 1.193 -28.138 1.00 0.00 O ATOM 914 CB LEU A 707 -7.293 -1.318 -28.464 1.00 0.00 C ATOM 915 CG LEU A 707 -7.378 -2.744 -29.119 1.00 0.00 C ATOM 916 CD1 LEU A 707 -7.314 -3.879 -28.077 1.00 0.00 C ATOM 917 CD2 LEU A 707 -8.645 -2.879 -30.002 1.00 0.00 C ATOM 0 H LEU A 707 -6.754 -2.110 -26.109 1.00 0.00 H new ATOM 0 HA LEU A 707 -5.151 -1.343 -28.312 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -8.124 -1.215 -27.767 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -7.440 -0.575 -29.248 1.00 0.00 H new ATOM 0 HG LEU A 707 -6.499 -2.847 -29.756 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -7.377 -4.842 -28.584 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -6.373 -3.818 -27.530 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -8.146 -3.781 -27.380 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -8.677 -3.876 -30.442 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -9.533 -2.724 -29.390 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -8.616 -2.133 -30.796 1.00 0.00 H new ATOM 929 N VAL A 708 -6.665 1.101 -26.612 1.00 0.00 N ATOM 930 CA VAL A 708 -6.707 2.541 -26.284 1.00 0.00 C ATOM 931 C VAL A 708 -5.367 3.022 -25.667 1.00 0.00 C ATOM 932 O VAL A 708 -4.919 4.144 -25.926 1.00 0.00 O ATOM 933 CB VAL A 708 -7.899 2.851 -25.293 1.00 0.00 C ATOM 934 CG1 VAL A 708 -8.028 4.365 -25.001 1.00 0.00 C ATOM 935 CG2 VAL A 708 -9.236 2.279 -25.831 1.00 0.00 C ATOM 0 H VAL A 708 -7.331 0.546 -26.074 1.00 0.00 H new ATOM 0 HA VAL A 708 -6.867 3.085 -27.215 1.00 0.00 H new ATOM 0 HB VAL A 708 -7.669 2.355 -24.350 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -8.859 4.534 -24.316 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -7.105 4.728 -24.549 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -8.211 4.901 -25.932 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -10.038 2.507 -25.129 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -9.461 2.729 -26.798 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -9.150 1.198 -25.945 1.00 0.00 H new ATOM 945 N ALA A 709 -4.727 2.142 -24.876 1.00 0.00 N ATOM 946 CA ALA A 709 -3.465 2.449 -24.167 1.00 0.00 C ATOM 947 C ALA A 709 -2.268 2.517 -25.138 1.00 0.00 C ATOM 948 O ALA A 709 -1.326 3.291 -24.918 1.00 0.00 O ATOM 949 CB ALA A 709 -3.215 1.421 -23.050 1.00 0.00 C ATOM 0 H ALA A 709 -5.068 1.196 -24.708 1.00 0.00 H new ATOM 0 HA ALA A 709 -3.566 3.435 -23.714 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -2.283 1.660 -22.538 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -4.039 1.451 -22.337 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -3.145 0.423 -23.483 1.00 0.00 H new ATOM 955 N MET A 710 -2.315 1.703 -26.215 1.00 0.00 N ATOM 956 CA MET A 710 -1.301 1.739 -27.298 1.00 0.00 C ATOM 957 C MET A 710 -1.462 3.005 -28.167 1.00 0.00 C ATOM 958 O MET A 710 -0.517 3.435 -28.842 1.00 0.00 O ATOM 959 CB MET A 710 -1.383 0.463 -28.184 1.00 0.00 C ATOM 960 CG MET A 710 -0.941 -0.837 -27.491 1.00 0.00 C ATOM 961 SD MET A 710 -0.959 -2.274 -28.597 1.00 0.00 S ATOM 962 CE MET A 710 -2.701 -2.450 -28.983 1.00 0.00 C ATOM 0 H MET A 710 -3.048 1.008 -26.360 1.00 0.00 H new ATOM 0 HA MET A 710 -0.318 1.768 -26.827 1.00 0.00 H new ATOM 0 HB2 MET A 710 -2.410 0.343 -28.528 1.00 0.00 H new ATOM 0 HB3 MET A 710 -0.766 0.613 -29.070 1.00 0.00 H new ATOM 0 HG2 MET A 710 0.065 -0.705 -27.092 1.00 0.00 H new ATOM 0 HG3 MET A 710 -1.597 -1.031 -26.643 1.00 0.00 H new ATOM 0 HE1 MET A 710 -2.852 -3.349 -29.581 1.00 0.00 H new ATOM 0 HE2 MET A 710 -3.272 -2.529 -28.058 1.00 0.00 H new ATOM 0 HE3 MET A 710 -3.039 -1.579 -29.545 1.00 0.00 H new