USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 563 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 711 MET CE :methyl 155:sc= -6.68! (180deg=-2.87!) USER MOD Set 1.2: A 714 MET CE :methyl 141:sc= -4.35! (180deg=-0.746) USER MOD Set 2.1: A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 673 ASN : amide:sc= -3.4 K(o=-3.4,f=-1.2) USER MOD Set 3.1: A 664 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 667 MET CE :methyl 180:sc= -0.113 (180deg=-0.113) USER MOD Single : A 652 CYS SG : rot 180:sc=-0.00138 USER MOD Single : A 653 GLN : amide:sc= -0.0486 K(o=-0.049,f=-1.2) USER MOD Single : A 658 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.98) USER MOD Single : A 666 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 CYS SG : rot 82:sc= -1.78 USER MOD Single : A 677 HIS : no HD1:sc= -2.54! K(o=-2.5!,f=-1.8) USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0153) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 708 CYS SG : rot 49:sc= -0.962 USER MOD Single : A 710 MET CE :methyl 168:sc=-0.000664 (180deg=-0.166) USER MOD Single : A 712 ASN : amide:sc= -0.451 K(o=-0.45,f=-3!) USER MOD Single : A 715 LYS NZ :NH3+ -148:sc= -2.73! (180deg=-4.51!) USER MOD Single : A 717 SER OG : rot -56:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.203 -3.368 7.441 1.00 0.00 N ATOM 77 CA CYS A 652 7.874 -3.865 7.778 1.00 0.00 C ATOM 78 C CYS A 652 6.862 -3.481 6.702 1.00 0.00 C ATOM 79 O CYS A 652 5.885 -4.193 6.475 1.00 0.00 O ATOM 80 CB CYS A 652 7.429 -3.313 9.133 1.00 0.00 C ATOM 81 SG CYS A 652 7.492 -1.510 9.254 1.00 0.00 S ATOM 0 HA CYS A 652 7.923 -4.952 7.835 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.409 -3.644 9.331 1.00 0.00 H new ATOM 0 HB3 CYS A 652 8.060 -3.741 9.912 1.00 0.00 H new ATOM 0 HG CYS A 652 7.096 -1.140 10.436 1.00 0.00 H new ATOM 87 N GLN A 653 7.105 -2.352 6.045 1.00 0.00 N ATOM 88 CA GLN A 653 6.213 -1.873 4.995 1.00 0.00 C ATOM 89 C GLN A 653 6.678 -2.355 3.625 1.00 0.00 C ATOM 90 O GLN A 653 7.864 -2.609 3.415 1.00 0.00 O ATOM 91 CB GLN A 653 6.142 -0.345 5.014 1.00 0.00 C ATOM 92 CG GLN A 653 5.411 0.245 3.819 1.00 0.00 C ATOM 93 CD GLN A 653 5.080 1.712 4.004 1.00 0.00 C ATOM 94 OE1 GLN A 653 4.859 2.175 5.124 1.00 0.00 O ATOM 95 NE2 GLN A 653 5.044 2.455 2.903 1.00 0.00 N ATOM 0 H GLN A 653 7.911 -1.752 6.221 1.00 0.00 H new ATOM 0 HA GLN A 653 5.219 -2.278 5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.644 -0.024 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.155 0.057 5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 653 6.025 0.125 2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.490 -0.313 3.650 1.00 0.00 H new ATOM 0 HE21 GLN A 653 5.234 2.031 1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.827 3.450 2.966 1.00 0.00 H new ATOM 104 N ILE A 654 5.736 -2.480 2.696 1.00 0.00 N ATOM 105 CA ILE A 654 6.049 -2.931 1.346 1.00 0.00 C ATOM 106 C ILE A 654 5.320 -2.091 0.302 1.00 0.00 C ATOM 107 O ILE A 654 4.545 -1.196 0.641 1.00 0.00 O ATOM 108 CB ILE A 654 5.679 -4.412 1.147 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.180 -4.620 1.370 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.487 -5.291 2.089 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.667 -5.940 0.839 1.00 0.00 C ATOM 0 H ILE A 654 4.749 -2.275 2.854 1.00 0.00 H new ATOM 0 HA ILE A 654 7.125 -2.813 1.216 1.00 0.00 H new ATOM 0 HB ILE A 654 5.918 -4.696 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.968 -4.560 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.634 -3.808 0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.214 -6.335 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.550 -5.160 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.277 -5.008 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.597 -6.019 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.847 -5.995 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.187 -6.759 1.336 1.00 0.00 H new ATOM 123 N PHE A 655 5.571 -2.388 -0.968 1.00 0.00 N ATOM 124 CA PHE A 655 4.938 -1.661 -2.063 1.00 0.00 C ATOM 125 C PHE A 655 4.336 -2.626 -3.080 1.00 0.00 C ATOM 126 O PHE A 655 4.836 -3.735 -3.271 1.00 0.00 O ATOM 127 CB PHE A 655 5.952 -0.745 -2.749 1.00 0.00 C ATOM 128 CG PHE A 655 5.327 0.441 -3.427 1.00 0.00 C ATOM 129 CD1 PHE A 655 5.008 1.579 -2.704 1.00 0.00 C ATOM 130 CD2 PHE A 655 5.058 0.418 -4.786 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.432 2.673 -3.324 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.484 1.508 -5.411 1.00 0.00 C ATOM 133 CZ PHE A 655 4.169 2.636 -4.679 1.00 0.00 C ATOM 0 H PHE A 655 6.208 -3.127 -1.265 1.00 0.00 H new ATOM 0 HA PHE A 655 4.135 -1.053 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.671 -0.393 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.510 -1.322 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.211 1.612 -1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.300 -0.462 -5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 655 4.188 3.554 -2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.282 1.478 -6.471 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.718 3.488 -5.166 1.00 0.00 H new ATOM 143 N VAL A 656 3.260 -2.196 -3.731 1.00 0.00 N ATOM 144 CA VAL A 656 2.590 -3.020 -4.729 1.00 0.00 C ATOM 145 C VAL A 656 2.264 -2.212 -5.980 1.00 0.00 C ATOM 146 O VAL A 656 2.070 -0.998 -5.914 1.00 0.00 O ATOM 147 CB VAL A 656 1.290 -3.630 -4.172 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.833 -4.794 -5.038 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.484 -4.072 -2.730 1.00 0.00 C ATOM 0 H VAL A 656 2.834 -1.281 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 656 3.278 -3.824 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 656 0.513 -2.866 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.087 -5.212 -4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.652 -4.443 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.606 -5.562 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.555 -4.500 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.275 -4.821 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.761 -3.212 -2.120 1.00 0.00 H new ATOM 159 N ARG A 657 2.205 -2.893 -7.120 1.00 0.00 N ATOM 160 CA ARG A 657 1.904 -2.239 -8.387 1.00 0.00 C ATOM 161 C ARG A 657 1.154 -3.183 -9.322 1.00 0.00 C ATOM 162 O ARG A 657 1.163 -4.398 -9.130 1.00 0.00 O ATOM 163 CB ARG A 657 3.192 -1.757 -9.056 1.00 0.00 C ATOM 164 CG ARG A 657 3.881 -0.627 -8.309 1.00 0.00 C ATOM 165 CD ARG A 657 5.142 -0.172 -9.026 1.00 0.00 C ATOM 166 NE ARG A 657 6.096 0.454 -8.114 1.00 0.00 N ATOM 167 CZ ARG A 657 6.870 -0.229 -7.278 1.00 0.00 C ATOM 168 NH1 ARG A 657 6.804 -1.553 -7.240 1.00 0.00 N ATOM 169 NH2 ARG A 657 7.713 0.412 -6.479 1.00 0.00 N ATOM 0 H ARG A 657 2.362 -3.898 -7.192 1.00 0.00 H new ATOM 0 HA ARG A 657 1.267 -1.379 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.882 -2.596 -9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.963 -1.425 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.195 0.214 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.133 -0.956 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.612 -1.028 -9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 657 4.877 0.534 -9.813 1.00 0.00 H new ATOM 0 HE ARG A 657 6.172 1.471 -8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 657 6.158 -2.049 -7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 657 7.399 -2.075 -6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 657 7.767 1.430 -6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 657 8.307 -0.113 -5.837 1.00 0.00 H new ATOM 183 N ASN A 658 0.507 -2.615 -10.334 1.00 0.00 N ATOM 184 CA ASN A 658 -0.249 -3.406 -11.299 1.00 0.00 C ATOM 185 C ASN A 658 -1.438 -4.089 -10.630 1.00 0.00 C ATOM 186 O ASN A 658 -1.664 -5.286 -10.812 1.00 0.00 O ATOM 187 CB ASN A 658 0.656 -4.455 -11.949 1.00 0.00 C ATOM 188 CG ASN A 658 0.229 -4.787 -13.366 1.00 0.00 C ATOM 189 OD1 ASN A 658 0.426 -3.995 -14.287 1.00 0.00 O ATOM 190 ND2 ASN A 658 -0.359 -5.964 -13.546 1.00 0.00 N ATOM 0 H ASN A 658 0.491 -1.610 -10.508 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.625 -2.732 -12.069 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.683 -4.090 -11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.646 -5.363 -11.347 1.00 0.00 H new ATOM 0 HD21 ASN A 658 -0.668 -6.243 -14.477 1.00 0.00 H new ATOM 0 HD22 ASN A 658 -0.502 -6.589 -12.753 1.00 0.00 H new ATOM 197 N LEU A 659 -2.195 -3.320 -9.855 1.00 0.00 N ATOM 198 CA LEU A 659 -3.363 -3.849 -9.159 1.00 0.00 C ATOM 199 C LEU A 659 -4.640 -3.566 -9.944 1.00 0.00 C ATOM 200 O LEU A 659 -4.793 -2.517 -10.571 1.00 0.00 O ATOM 201 CB LEU A 659 -3.466 -3.241 -7.759 1.00 0.00 C ATOM 202 CG LEU A 659 -2.507 -3.806 -6.710 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.354 -2.835 -5.550 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.994 -5.160 -6.215 1.00 0.00 C ATOM 0 H LEU A 659 -2.021 -2.328 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.244 -4.929 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.295 -2.167 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.486 -3.376 -7.400 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.530 -3.942 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.668 -3.253 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -1.958 -1.888 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.326 -2.666 -5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -2.299 -5.546 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.982 -5.050 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -3.050 -5.855 -7.053 1.00 0.00 H new ATOM 216 N PRO A 660 -5.581 -4.521 -9.908 1.00 0.00 N ATOM 217 CA PRO A 660 -6.863 -4.396 -10.608 1.00 0.00 C ATOM 218 C PRO A 660 -7.533 -3.049 -10.355 1.00 0.00 C ATOM 219 O PRO A 660 -7.708 -2.638 -9.208 1.00 0.00 O ATOM 220 CB PRO A 660 -7.703 -5.531 -10.016 1.00 0.00 C ATOM 221 CG PRO A 660 -6.707 -6.543 -9.565 1.00 0.00 C ATOM 222 CD PRO A 660 -5.467 -5.796 -9.181 1.00 0.00 C ATOM 0 HA PRO A 660 -6.744 -4.455 -11.690 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.314 -5.179 -9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.384 -5.949 -10.758 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.092 -7.112 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.496 -7.258 -10.361 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.413 -5.638 -8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.568 -6.341 -9.468 1.00 0.00 H new ATOM 230 N PHE A 661 -7.906 -2.368 -11.432 1.00 0.00 N ATOM 231 CA PHE A 661 -8.557 -1.067 -11.327 1.00 0.00 C ATOM 232 C PHE A 661 -9.652 -1.091 -10.265 1.00 0.00 C ATOM 233 O PHE A 661 -9.929 -0.080 -9.619 1.00 0.00 O ATOM 234 CB PHE A 661 -9.149 -0.658 -12.677 1.00 0.00 C ATOM 235 CG PHE A 661 -9.260 0.829 -12.857 1.00 0.00 C ATOM 236 CD1 PHE A 661 -8.136 1.636 -12.776 1.00 0.00 C ATOM 237 CD2 PHE A 661 -10.488 1.420 -13.108 1.00 0.00 C ATOM 238 CE1 PHE A 661 -8.234 3.005 -12.942 1.00 0.00 C ATOM 239 CE2 PHE A 661 -10.592 2.788 -13.275 1.00 0.00 C ATOM 240 CZ PHE A 661 -9.464 3.582 -13.190 1.00 0.00 C ATOM 0 H PHE A 661 -7.769 -2.695 -12.388 1.00 0.00 H new ATOM 0 HA PHE A 661 -7.805 -0.335 -11.032 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -8.530 -1.067 -13.475 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.138 -1.103 -12.781 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.172 1.190 -12.581 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -11.373 0.805 -13.174 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -7.350 3.622 -12.878 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -11.555 3.236 -13.472 1.00 0.00 H new ATOM 0 HZ PHE A 661 -9.544 4.651 -13.317 1.00 0.00 H new ATOM 250 N ASP A 662 -10.272 -2.253 -10.090 1.00 0.00 N ATOM 251 CA ASP A 662 -11.337 -2.411 -9.106 1.00 0.00 C ATOM 252 C ASP A 662 -10.761 -2.686 -7.720 1.00 0.00 C ATOM 253 O ASP A 662 -11.371 -2.350 -6.705 1.00 0.00 O ATOM 254 CB ASP A 662 -12.275 -3.547 -9.516 1.00 0.00 C ATOM 255 CG ASP A 662 -13.179 -3.164 -10.671 1.00 0.00 C ATOM 256 OD1 ASP A 662 -13.502 -1.964 -10.798 1.00 0.00 O ATOM 257 OD2 ASP A 662 -13.563 -4.063 -11.448 1.00 0.00 O ATOM 0 H ASP A 662 -10.056 -3.099 -10.617 1.00 0.00 H new ATOM 0 HA ASP A 662 -11.902 -1.480 -9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -11.684 -4.419 -9.795 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -12.886 -3.836 -8.661 1.00 0.00 H new ATOM 262 N PHE A 663 -9.582 -3.299 -7.686 1.00 0.00 N ATOM 263 CA PHE A 663 -8.924 -3.620 -6.425 1.00 0.00 C ATOM 264 C PHE A 663 -9.076 -2.478 -5.425 1.00 0.00 C ATOM 265 O PHE A 663 -8.690 -1.341 -5.700 1.00 0.00 O ATOM 266 CB PHE A 663 -7.441 -3.914 -6.660 1.00 0.00 C ATOM 267 CG PHE A 663 -6.862 -4.895 -5.681 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.320 -6.202 -5.636 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.859 -4.510 -4.806 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.789 -7.106 -4.736 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.324 -5.410 -3.903 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.789 -6.710 -3.869 1.00 0.00 C ATOM 0 H PHE A 663 -9.063 -3.583 -8.517 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.402 -4.507 -6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.311 -4.302 -7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.880 -2.981 -6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.101 -6.518 -6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.491 -3.495 -4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.156 -8.122 -4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.544 -5.097 -3.225 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.372 -7.416 -3.166 1.00 0.00 H new ATOM 282 N THR A 664 -9.641 -2.788 -4.263 1.00 0.00 N ATOM 283 CA THR A 664 -9.846 -1.788 -3.222 1.00 0.00 C ATOM 284 C THR A 664 -8.855 -1.974 -2.078 1.00 0.00 C ATOM 285 O THR A 664 -8.061 -2.914 -2.080 1.00 0.00 O ATOM 286 CB THR A 664 -11.279 -1.848 -2.660 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.519 -3.128 -2.065 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.301 -1.594 -3.757 1.00 0.00 C ATOM 0 H THR A 664 -9.965 -3.724 -4.019 1.00 0.00 H new ATOM 0 HA THR A 664 -9.685 -0.814 -3.683 1.00 0.00 H new ATOM 0 HB THR A 664 -11.381 -1.071 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.431 -3.157 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.306 -1.641 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.134 -0.607 -4.188 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.197 -2.351 -4.534 1.00 0.00 H new ATOM 296 N TRP A 665 -8.909 -1.074 -1.104 1.00 0.00 N ATOM 297 CA TRP A 665 -8.016 -1.140 0.048 1.00 0.00 C ATOM 298 C TRP A 665 -8.354 -2.337 0.930 1.00 0.00 C ATOM 299 O TRP A 665 -7.478 -3.126 1.285 1.00 0.00 O ATOM 300 CB TRP A 665 -8.104 0.151 0.862 1.00 0.00 C ATOM 301 CG TRP A 665 -9.250 0.168 1.828 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.422 0.856 1.697 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.331 -0.535 3.073 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.228 0.624 2.786 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.582 -0.227 3.644 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.471 -1.396 3.760 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.990 -0.749 4.868 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.877 -1.912 4.975 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.127 -1.589 5.519 1.00 0.00 C ATOM 0 H TRP A 665 -9.561 -0.290 -1.088 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.997 -1.260 -0.319 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.173 0.290 1.412 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.200 0.996 0.180 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.678 1.489 0.861 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.156 1.021 2.932 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.506 -1.653 3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.953 -0.500 5.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.219 -2.576 5.515 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.415 -2.011 6.470 1.00 0.00 H new ATOM 320 N LYS A 666 -9.628 -2.466 1.282 1.00 0.00 N ATOM 321 CA LYS A 666 -10.083 -3.567 2.123 1.00 0.00 C ATOM 322 C LYS A 666 -9.526 -4.897 1.625 1.00 0.00 C ATOM 323 O LYS A 666 -8.956 -5.669 2.395 1.00 0.00 O ATOM 324 CB LYS A 666 -11.612 -3.619 2.148 1.00 0.00 C ATOM 325 CG LYS A 666 -12.168 -4.778 2.958 1.00 0.00 C ATOM 326 CD LYS A 666 -12.112 -4.493 4.449 1.00 0.00 C ATOM 327 CE LYS A 666 -13.258 -3.594 4.888 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.471 -4.378 5.251 1.00 0.00 N ATOM 0 H LYS A 666 -10.365 -1.821 0.998 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.716 -3.395 3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.992 -2.684 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.982 -3.691 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.199 -4.969 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.601 -5.682 2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -12.152 -5.432 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.162 -4.019 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -12.943 -2.996 5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.502 -2.899 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.229 -3.729 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.787 -4.930 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.245 -5.024 6.034 1.00 0.00 H new ATOM 342 N MET A 667 -9.695 -5.157 0.332 1.00 0.00 N ATOM 343 CA MET A 667 -9.207 -6.393 -0.268 1.00 0.00 C ATOM 344 C MET A 667 -7.686 -6.475 -0.183 1.00 0.00 C ATOM 345 O MET A 667 -7.130 -7.507 0.197 1.00 0.00 O ATOM 346 CB MET A 667 -9.653 -6.486 -1.729 1.00 0.00 C ATOM 347 CG MET A 667 -11.048 -7.066 -1.902 1.00 0.00 C ATOM 348 SD MET A 667 -11.301 -7.789 -3.534 1.00 0.00 S ATOM 349 CE MET A 667 -11.131 -6.342 -4.576 1.00 0.00 C ATOM 0 H MET A 667 -10.166 -4.529 -0.319 1.00 0.00 H new ATOM 0 HA MET A 667 -9.630 -7.230 0.288 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.624 -5.491 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.941 -7.102 -2.279 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.218 -7.828 -1.141 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.787 -6.281 -1.738 1.00 0.00 H new ATOM 0 HE1 MET A 667 -11.262 -6.628 -5.620 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.888 -5.606 -4.303 1.00 0.00 H new ATOM 0 HE3 MET A 667 -10.140 -5.910 -4.440 1.00 0.00 H new ATOM 359 N LEU A 668 -7.018 -5.383 -0.537 1.00 0.00 N ATOM 360 CA LEU A 668 -5.561 -5.332 -0.501 1.00 0.00 C ATOM 361 C LEU A 668 -5.034 -5.785 0.857 1.00 0.00 C ATOM 362 O LEU A 668 -4.057 -6.531 0.939 1.00 0.00 O ATOM 363 CB LEU A 668 -5.073 -3.914 -0.802 1.00 0.00 C ATOM 364 CG LEU A 668 -3.628 -3.604 -0.410 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.658 -4.284 -1.364 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.392 -2.100 -0.390 1.00 0.00 C ATOM 0 H LEU A 668 -7.462 -4.521 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.179 -6.011 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.185 -3.732 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.727 -3.209 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.453 -3.993 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.635 -4.052 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.810 -5.363 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.834 -3.925 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.358 -1.898 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.586 -1.688 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -4.062 -1.636 0.334 1.00 0.00 H new ATOM 378 N LYS A 669 -5.688 -5.332 1.921 1.00 0.00 N ATOM 379 CA LYS A 669 -5.288 -5.693 3.276 1.00 0.00 C ATOM 380 C LYS A 669 -5.475 -7.188 3.518 1.00 0.00 C ATOM 381 O LYS A 669 -4.505 -7.945 3.562 1.00 0.00 O ATOM 382 CB LYS A 669 -6.100 -4.895 4.299 1.00 0.00 C ATOM 383 CG LYS A 669 -6.027 -5.458 5.707 1.00 0.00 C ATOM 384 CD LYS A 669 -6.784 -4.588 6.696 1.00 0.00 C ATOM 385 CE LYS A 669 -6.221 -4.724 8.103 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.725 -5.947 8.786 1.00 0.00 N ATOM 0 H LYS A 669 -6.498 -4.714 1.871 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.231 -5.453 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.743 -3.865 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.142 -4.868 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.440 -6.467 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -4.984 -5.537 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.731 -3.546 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.838 -4.867 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.132 -4.756 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.489 -3.844 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.318 -6.003 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.762 -5.905 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -6.447 -6.788 8.241 1.00 0.00 H new ATOM 400 N ASP A 670 -6.727 -7.605 3.674 1.00 0.00 N ATOM 401 CA ASP A 670 -7.040 -9.010 3.909 1.00 0.00 C ATOM 402 C ASP A 670 -6.268 -9.907 2.947 1.00 0.00 C ATOM 403 O ASP A 670 -6.040 -11.085 3.226 1.00 0.00 O ATOM 404 CB ASP A 670 -8.543 -9.251 3.756 1.00 0.00 C ATOM 405 CG ASP A 670 -9.335 -8.734 4.941 1.00 0.00 C ATOM 406 OD1 ASP A 670 -9.587 -7.512 4.999 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.705 -9.551 5.810 1.00 0.00 O ATOM 0 H ASP A 670 -7.541 -6.991 3.642 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.741 -9.259 4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -8.896 -8.764 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.727 -10.319 3.638 1.00 0.00 H new ATOM 412 N LYS A 671 -5.869 -9.344 1.811 1.00 0.00 N ATOM 413 CA LYS A 671 -5.123 -10.092 0.807 1.00 0.00 C ATOM 414 C LYS A 671 -3.714 -10.408 1.299 1.00 0.00 C ATOM 415 O LYS A 671 -3.201 -11.506 1.081 1.00 0.00 O ATOM 416 CB LYS A 671 -5.051 -9.299 -0.500 1.00 0.00 C ATOM 417 CG LYS A 671 -4.180 -9.951 -1.560 1.00 0.00 C ATOM 418 CD LYS A 671 -4.920 -11.064 -2.283 1.00 0.00 C ATOM 419 CE LYS A 671 -5.843 -10.512 -3.359 1.00 0.00 C ATOM 420 NZ LYS A 671 -6.891 -11.495 -3.748 1.00 0.00 N ATOM 0 H LYS A 671 -6.050 -8.371 1.563 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.646 -11.031 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.059 -9.175 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.666 -8.301 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -3.858 -9.199 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.280 -10.353 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -4.201 -11.747 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -5.501 -11.642 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -6.317 -9.600 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -5.256 -10.240 -4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -7.499 -11.081 -4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -6.439 -12.356 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -7.467 -11.735 -2.916 1.00 0.00 H new ATOM 434 N PHE A 672 -3.094 -9.440 1.966 1.00 0.00 N ATOM 435 CA PHE A 672 -1.745 -9.616 2.490 1.00 0.00 C ATOM 436 C PHE A 672 -1.781 -10.175 3.909 1.00 0.00 C ATOM 437 O PHE A 672 -0.751 -10.554 4.465 1.00 0.00 O ATOM 438 CB PHE A 672 -0.991 -8.285 2.473 1.00 0.00 C ATOM 439 CG PHE A 672 -0.317 -7.994 1.163 1.00 0.00 C ATOM 440 CD1 PHE A 672 -1.042 -7.503 0.090 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.043 -8.212 1.005 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.424 -7.236 -1.117 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.666 -7.945 -0.200 1.00 0.00 C ATOM 444 CZ PHE A 672 0.932 -7.456 -1.262 1.00 0.00 C ATOM 0 H PHE A 672 -3.504 -8.526 2.156 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.224 -10.329 1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.688 -7.479 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.242 -8.291 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.102 -7.327 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.622 -8.595 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -1.001 -6.855 -1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.726 -8.119 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.417 -7.246 -2.204 1.00 0.00 H new ATOM 454 N ASN A 673 -2.976 -10.223 4.490 1.00 0.00 N ATOM 455 CA ASN A 673 -3.148 -10.734 5.845 1.00 0.00 C ATOM 456 C ASN A 673 -2.631 -12.165 5.956 1.00 0.00 C ATOM 457 O ASN A 673 -2.090 -12.562 6.987 1.00 0.00 O ATOM 458 CB ASN A 673 -4.622 -10.680 6.250 1.00 0.00 C ATOM 459 CG ASN A 673 -4.995 -9.361 6.900 1.00 0.00 C ATOM 460 OD1 ASN A 673 -5.518 -9.332 8.014 1.00 0.00 O ATOM 461 ND2 ASN A 673 -4.726 -8.262 6.205 1.00 0.00 N ATOM 0 H ASN A 673 -3.839 -9.914 4.043 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.569 -10.104 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.244 -10.836 5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -4.836 -11.496 6.940 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -4.954 -7.346 6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -4.292 -8.334 5.285 1.00 0.00 H new ATOM 468 N GLU A 674 -2.802 -12.935 4.885 1.00 0.00 N ATOM 469 CA GLU A 674 -2.353 -14.322 4.863 1.00 0.00 C ATOM 470 C GLU A 674 -0.965 -14.455 5.484 1.00 0.00 C ATOM 471 O GLU A 674 -0.713 -15.360 6.281 1.00 0.00 O ATOM 472 CB GLU A 674 -2.334 -14.853 3.428 1.00 0.00 C ATOM 473 CG GLU A 674 -3.701 -15.277 2.918 1.00 0.00 C ATOM 474 CD GLU A 674 -4.043 -16.707 3.289 1.00 0.00 C ATOM 475 OE1 GLU A 674 -3.106 -17.509 3.485 1.00 0.00 O ATOM 476 OE2 GLU A 674 -5.247 -17.025 3.382 1.00 0.00 O ATOM 0 H GLU A 674 -3.248 -12.622 4.023 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.054 -14.913 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -1.933 -14.082 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -1.655 -15.704 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.460 -14.608 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -3.730 -15.170 1.834 1.00 0.00 H new ATOM 483 N CYS A 675 -0.069 -13.547 5.114 1.00 0.00 N ATOM 484 CA CYS A 675 1.295 -13.562 5.633 1.00 0.00 C ATOM 485 C CYS A 675 1.312 -13.248 7.125 1.00 0.00 C ATOM 486 O CYS A 675 1.698 -14.084 7.941 1.00 0.00 O ATOM 487 CB CYS A 675 2.161 -12.554 4.877 1.00 0.00 C ATOM 488 SG CYS A 675 3.939 -12.800 5.094 1.00 0.00 S ATOM 0 H CYS A 675 -0.262 -12.791 4.457 1.00 0.00 H new ATOM 0 HA CYS A 675 1.703 -14.562 5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.924 -12.612 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 675 1.901 -11.548 5.207 1.00 0.00 H new ATOM 0 HG CYS A 675 4.352 -13.724 4.278 1.00 0.00 H new ATOM 494 N GLY A 676 0.892 -12.036 7.474 1.00 0.00 N ATOM 495 CA GLY A 676 0.869 -11.632 8.868 1.00 0.00 C ATOM 496 C GLY A 676 -0.290 -10.707 9.184 1.00 0.00 C ATOM 497 O GLY A 676 -1.313 -10.724 8.499 1.00 0.00 O ATOM 0 H GLY A 676 0.567 -11.327 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.805 -12.518 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.806 -11.133 9.114 1.00 0.00 H new ATOM 501 N HIS A 677 -0.131 -9.897 10.226 1.00 0.00 N ATOM 502 CA HIS A 677 -1.173 -8.961 10.633 1.00 0.00 C ATOM 503 C HIS A 677 -0.960 -7.596 9.986 1.00 0.00 C ATOM 504 O HIS A 677 -0.104 -6.821 10.413 1.00 0.00 O ATOM 505 CB HIS A 677 -1.194 -8.818 12.155 1.00 0.00 C ATOM 506 CG HIS A 677 -2.313 -7.960 12.661 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.915 -8.154 13.886 1.00 0.00 N ATOM 508 CD2 HIS A 677 -2.937 -6.898 12.100 1.00 0.00 C ATOM 509 CE1 HIS A 677 -3.863 -7.250 14.056 1.00 0.00 C ATOM 510 NE2 HIS A 677 -3.896 -6.475 12.987 1.00 0.00 N ATOM 0 H HIS A 677 0.709 -9.870 10.804 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.132 -9.357 10.299 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.275 -9.808 12.604 1.00 0.00 H new ATOM 0 HB3 HIS A 677 -0.245 -8.395 12.485 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -2.721 -6.464 11.135 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.502 -7.160 14.922 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -4.531 -5.690 12.844 1.00 0.00 H new ATOM 519 N VAL A 678 -1.744 -7.308 8.952 1.00 0.00 N ATOM 520 CA VAL A 678 -1.641 -6.036 8.245 1.00 0.00 C ATOM 521 C VAL A 678 -2.275 -4.908 9.051 1.00 0.00 C ATOM 522 O VAL A 678 -3.389 -5.043 9.559 1.00 0.00 O ATOM 523 CB VAL A 678 -2.316 -6.107 6.862 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.473 -4.713 6.273 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.519 -7.003 5.927 1.00 0.00 C ATOM 0 H VAL A 678 -2.457 -7.938 8.585 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.579 -5.831 8.112 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.310 -6.539 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.952 -4.783 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -3.088 -4.105 6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.492 -4.251 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.010 -7.042 4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.512 -6.602 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.463 -8.008 6.346 1.00 0.00 H new ATOM 535 N LEU A 679 -1.559 -3.794 9.162 1.00 0.00 N ATOM 536 CA LEU A 679 -2.052 -2.640 9.906 1.00 0.00 C ATOM 537 C LEU A 679 -2.457 -1.515 8.959 1.00 0.00 C ATOM 538 O LEU A 679 -3.620 -1.110 8.922 1.00 0.00 O ATOM 539 CB LEU A 679 -0.982 -2.141 10.879 1.00 0.00 C ATOM 540 CG LEU A 679 -0.245 -3.219 11.676 1.00 0.00 C ATOM 541 CD1 LEU A 679 1.034 -2.657 12.277 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.144 -3.785 12.765 1.00 0.00 C ATOM 0 H LEU A 679 -0.636 -3.666 8.747 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.931 -2.951 10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.246 -1.567 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.451 -1.454 11.583 1.00 0.00 H new ATOM 0 HG LEU A 679 0.022 -4.028 10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.545 -3.438 12.840 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.685 -2.300 11.479 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.790 -1.830 12.943 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.603 -4.550 13.322 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.442 -2.985 13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.032 -4.225 12.311 1.00 0.00 H new ATOM 554 N TYR A 680 -1.493 -1.016 8.194 1.00 0.00 N ATOM 555 CA TYR A 680 -1.750 0.062 7.247 1.00 0.00 C ATOM 556 C TYR A 680 -1.959 -0.488 5.839 1.00 0.00 C ATOM 557 O TYR A 680 -1.156 -1.277 5.343 1.00 0.00 O ATOM 558 CB TYR A 680 -0.589 1.059 7.249 1.00 0.00 C ATOM 559 CG TYR A 680 -0.623 2.030 6.091 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.815 2.617 5.685 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.538 2.363 5.404 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.850 3.505 4.627 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.513 3.250 4.346 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.684 3.818 3.961 1.00 0.00 C ATOM 565 OH TYR A 680 -0.715 4.703 2.908 1.00 0.00 O ATOM 0 H TYR A 680 -0.526 -1.341 8.211 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.661 0.574 7.557 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.605 1.620 8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.352 0.509 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.730 2.375 6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.477 1.920 5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.785 3.951 4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.425 3.498 3.823 1.00 0.00 H new ATOM 0 HH TYR A 680 0.190 4.816 2.549 1.00 0.00 H new ATOM 575 N ALA A 681 -3.045 -0.064 5.201 1.00 0.00 N ATOM 576 CA ALA A 681 -3.361 -0.510 3.849 1.00 0.00 C ATOM 577 C ALA A 681 -4.242 0.503 3.128 1.00 0.00 C ATOM 578 O ALA A 681 -5.324 0.848 3.603 1.00 0.00 O ATOM 579 CB ALA A 681 -4.041 -1.871 3.889 1.00 0.00 C ATOM 0 H ALA A 681 -3.721 0.588 5.599 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.427 -0.598 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.272 -2.192 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.376 -2.597 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.963 -1.800 4.465 1.00 0.00 H new ATOM 585 N ASP A 682 -3.772 0.977 1.979 1.00 0.00 N ATOM 586 CA ASP A 682 -4.518 1.952 1.192 1.00 0.00 C ATOM 587 C ASP A 682 -4.176 1.829 -0.290 1.00 0.00 C ATOM 588 O ASP A 682 -3.191 1.189 -0.659 1.00 0.00 O ATOM 589 CB ASP A 682 -4.220 3.370 1.681 1.00 0.00 C ATOM 590 CG ASP A 682 -5.390 4.312 1.473 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.535 3.909 1.765 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.161 5.452 1.016 1.00 0.00 O ATOM 0 H ASP A 682 -2.878 0.702 1.572 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.581 1.749 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -3.965 3.340 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.348 3.757 1.154 1.00 0.00 H new ATOM 597 N ILE A 683 -4.996 2.446 -1.134 1.00 0.00 N ATOM 598 CA ILE A 683 -4.780 2.406 -2.575 1.00 0.00 C ATOM 599 C ILE A 683 -4.487 3.798 -3.126 1.00 0.00 C ATOM 600 O ILE A 683 -5.327 4.696 -3.054 1.00 0.00 O ATOM 601 CB ILE A 683 -6.000 1.821 -3.311 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.264 0.388 -2.845 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.780 1.862 -4.816 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.270 -0.616 -3.384 1.00 0.00 C ATOM 0 H ILE A 683 -5.816 2.979 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.918 1.761 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.874 2.427 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.243 0.359 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.268 0.094 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.651 1.445 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.635 2.894 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.897 1.276 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.519 -1.610 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.307 -0.616 -4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.266 -0.347 -3.055 1.00 0.00 H new ATOM 616 N LYS A 684 -3.292 3.969 -3.679 1.00 0.00 N ATOM 617 CA LYS A 684 -2.887 5.250 -4.246 1.00 0.00 C ATOM 618 C LYS A 684 -3.825 5.665 -5.375 1.00 0.00 C ATOM 619 O LYS A 684 -4.211 4.845 -6.208 1.00 0.00 O ATOM 620 CB LYS A 684 -1.450 5.170 -4.766 1.00 0.00 C ATOM 621 CG LYS A 684 -0.445 4.742 -3.711 1.00 0.00 C ATOM 622 CD LYS A 684 -0.172 5.857 -2.716 1.00 0.00 C ATOM 623 CE LYS A 684 0.668 5.366 -1.546 1.00 0.00 C ATOM 624 NZ LYS A 684 2.031 4.950 -1.979 1.00 0.00 N ATOM 0 H LYS A 684 -2.586 3.236 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.940 6.001 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -1.412 4.467 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -1.160 6.145 -5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.821 3.866 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.487 4.447 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 684 0.344 6.676 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.117 6.255 -2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 684 0.749 6.157 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.167 4.525 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 2.595 4.686 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 1.958 4.134 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 2.494 5.739 -2.474 1.00 0.00 H new ATOM 724 N LYS A 691 -4.516 4.068 -9.473 1.00 0.00 N ATOM 725 CA LYS A 691 -3.214 3.930 -10.114 1.00 0.00 C ATOM 726 C LYS A 691 -2.777 2.468 -10.148 1.00 0.00 C ATOM 727 O LYS A 691 -1.857 2.102 -10.878 1.00 0.00 O ATOM 728 CB LYS A 691 -2.167 4.768 -9.376 1.00 0.00 C ATOM 729 CG LYS A 691 -2.145 6.226 -9.803 1.00 0.00 C ATOM 730 CD LYS A 691 -1.220 6.446 -10.988 1.00 0.00 C ATOM 731 CE LYS A 691 -1.639 7.659 -11.804 1.00 0.00 C ATOM 732 NZ LYS A 691 -0.982 8.905 -11.321 1.00 0.00 N ATOM 0 HA LYS A 691 -3.302 4.290 -11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -2.360 4.715 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -1.182 4.334 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.154 6.545 -10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.821 6.846 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -0.198 6.580 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -1.223 5.560 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -1.386 7.497 -12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -2.722 7.775 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -1.293 9.709 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -1.244 9.073 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 0.050 8.804 -11.394 1.00 0.00 H new ATOM 746 N GLY A 692 -3.446 1.637 -9.354 1.00 0.00 N ATOM 747 CA GLY A 692 -3.113 0.225 -9.311 1.00 0.00 C ATOM 748 C GLY A 692 -1.916 -0.062 -8.426 1.00 0.00 C ATOM 749 O GLY A 692 -1.352 -1.156 -8.468 1.00 0.00 O ATOM 0 H GLY A 692 -4.212 1.916 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.973 -0.337 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.907 -0.127 -10.322 1.00 0.00 H new ATOM 753 N CYS A 693 -1.527 0.923 -7.623 1.00 0.00 N ATOM 754 CA CYS A 693 -0.388 0.772 -6.725 1.00 0.00 C ATOM 755 C CYS A 693 -0.774 1.122 -5.292 1.00 0.00 C ATOM 756 O CYS A 693 -1.393 2.155 -5.040 1.00 0.00 O ATOM 757 CB CYS A 693 0.771 1.658 -7.185 1.00 0.00 C ATOM 758 SG CYS A 693 0.310 3.382 -7.476 1.00 0.00 S ATOM 0 H CYS A 693 -1.984 1.834 -7.576 1.00 0.00 H new ATOM 0 HA CYS A 693 -0.072 -0.271 -6.752 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.560 1.626 -6.433 1.00 0.00 H new ATOM 0 HB3 CYS A 693 1.188 1.245 -8.103 1.00 0.00 H new ATOM 0 HG CYS A 693 1.356 4.052 -7.859 1.00 0.00 H new ATOM 764 N GLY A 694 -0.406 0.252 -4.356 1.00 0.00 N ATOM 765 CA GLY A 694 -0.725 0.486 -2.960 1.00 0.00 C ATOM 766 C GLY A 694 0.413 0.107 -2.033 1.00 0.00 C ATOM 767 O GLY A 694 1.521 -0.185 -2.486 1.00 0.00 O ATOM 0 H GLY A 694 0.107 -0.610 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -0.970 1.539 -2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.613 -0.087 -2.693 1.00 0.00 H new ATOM 771 N VAL A 695 0.142 0.111 -0.732 1.00 0.00 N ATOM 772 CA VAL A 695 1.153 -0.235 0.260 1.00 0.00 C ATOM 773 C VAL A 695 0.551 -1.058 1.394 1.00 0.00 C ATOM 774 O VAL A 695 -0.642 -0.959 1.682 1.00 0.00 O ATOM 775 CB VAL A 695 1.814 1.025 0.851 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.787 1.635 -0.147 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.757 2.038 1.263 1.00 0.00 C ATOM 0 H VAL A 695 -0.769 0.350 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 695 1.910 -0.827 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 695 2.375 0.737 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 695 3.244 2.524 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.563 0.909 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 695 2.252 1.910 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.242 2.921 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 695 0.167 2.323 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.103 1.596 2.015 1.00 0.00 H new ATOM 787 N VAL A 696 1.385 -1.871 2.035 1.00 0.00 N ATOM 788 CA VAL A 696 0.935 -2.710 3.139 1.00 0.00 C ATOM 789 C VAL A 696 1.970 -2.746 4.258 1.00 0.00 C ATOM 790 O VAL A 696 3.130 -3.092 4.036 1.00 0.00 O ATOM 791 CB VAL A 696 0.653 -4.150 2.670 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.222 -5.019 3.842 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.402 -4.156 1.574 1.00 0.00 C ATOM 0 H VAL A 696 2.375 -1.966 1.809 1.00 0.00 H new ATOM 0 HA VAL A 696 0.011 -2.270 3.515 1.00 0.00 H new ATOM 0 HB VAL A 696 1.573 -4.567 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.027 -6.032 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.014 -5.040 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.685 -4.608 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.589 -5.181 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.326 -3.721 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 696 -0.048 -3.570 0.725 1.00 0.00 H new ATOM 803 N LYS A 697 1.541 -2.386 5.464 1.00 0.00 N ATOM 804 CA LYS A 697 2.429 -2.378 6.621 1.00 0.00 C ATOM 805 C LYS A 697 2.101 -3.529 7.566 1.00 0.00 C ATOM 806 O LYS A 697 0.932 -3.840 7.799 1.00 0.00 O ATOM 807 CB LYS A 697 2.318 -1.045 7.365 1.00 0.00 C ATOM 808 CG LYS A 697 3.562 -0.687 8.159 1.00 0.00 C ATOM 809 CD LYS A 697 3.243 0.272 9.294 1.00 0.00 C ATOM 810 CE LYS A 697 4.317 0.239 10.370 1.00 0.00 C ATOM 811 NZ LYS A 697 3.893 0.965 11.599 1.00 0.00 N ATOM 0 H LYS A 697 0.584 -2.096 5.665 1.00 0.00 H new ATOM 0 HA LYS A 697 3.451 -2.504 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.116 -0.252 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.464 -1.086 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.010 -1.595 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.300 -0.235 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 697 3.151 1.285 8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.280 0.011 9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.548 -0.796 10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 697 5.233 0.685 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 4.652 0.920 12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 3.697 1.959 11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 3.033 0.524 11.983 1.00 0.00 H new ATOM 825 N PHE A 698 3.138 -4.157 8.109 1.00 0.00 N ATOM 826 CA PHE A 698 2.960 -5.273 9.030 1.00 0.00 C ATOM 827 C PHE A 698 3.482 -4.921 10.420 1.00 0.00 C ATOM 828 O PHE A 698 4.100 -3.875 10.614 1.00 0.00 O ATOM 829 CB PHE A 698 3.678 -6.517 8.503 1.00 0.00 C ATOM 830 CG PHE A 698 3.139 -7.010 7.191 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.623 -6.506 5.994 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.147 -7.977 7.154 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.129 -6.958 4.785 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.649 -8.432 5.947 1.00 0.00 C ATOM 835 CZ PHE A 698 2.140 -7.921 4.762 1.00 0.00 C ATOM 0 H PHE A 698 4.111 -3.912 7.927 1.00 0.00 H new ATOM 0 HA PHE A 698 1.893 -5.482 9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.739 -6.294 8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.597 -7.314 9.242 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.395 -5.751 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.759 -8.380 8.078 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.516 -6.558 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 698 0.876 -9.187 5.931 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.751 -8.274 3.818 1.00 0.00 H new ATOM 845 N GLU A 699 3.229 -5.802 11.382 1.00 0.00 N ATOM 846 CA GLU A 699 3.672 -5.583 12.754 1.00 0.00 C ATOM 847 C GLU A 699 5.171 -5.838 12.888 1.00 0.00 C ATOM 848 O GLU A 699 5.887 -5.069 13.528 1.00 0.00 O ATOM 849 CB GLU A 699 2.901 -6.492 13.714 1.00 0.00 C ATOM 850 CG GLU A 699 1.395 -6.299 13.656 1.00 0.00 C ATOM 851 CD GLU A 699 0.688 -6.863 14.873 1.00 0.00 C ATOM 852 OE1 GLU A 699 1.076 -6.505 16.005 1.00 0.00 O ATOM 853 OE2 GLU A 699 -0.255 -7.663 14.693 1.00 0.00 O ATOM 0 H GLU A 699 2.720 -6.674 11.237 1.00 0.00 H new ATOM 0 HA GLU A 699 3.473 -4.543 13.012 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.135 -7.531 13.484 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.244 -6.306 14.732 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.172 -5.236 13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.005 -6.779 12.759 1.00 0.00 H new ATOM 860 N SER A 700 5.637 -6.925 12.281 1.00 0.00 N ATOM 861 CA SER A 700 7.049 -7.285 12.336 1.00 0.00 C ATOM 862 C SER A 700 7.726 -7.035 10.991 1.00 0.00 C ATOM 863 O SER A 700 7.118 -7.162 9.928 1.00 0.00 O ATOM 864 CB SER A 700 7.208 -8.753 12.735 1.00 0.00 C ATOM 865 OG SER A 700 6.828 -8.958 14.085 1.00 0.00 O ATOM 0 H SER A 700 5.057 -7.571 11.746 1.00 0.00 H new ATOM 0 HA SER A 700 7.529 -6.658 13.087 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.598 -9.379 12.083 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.244 -9.061 12.595 1.00 0.00 H new ATOM 0 HG SER A 700 6.937 -9.904 14.315 1.00 0.00 H new ATOM 871 N PRO A 701 9.016 -6.672 11.038 1.00 0.00 N ATOM 872 CA PRO A 701 9.805 -6.398 9.833 1.00 0.00 C ATOM 873 C PRO A 701 10.088 -7.660 9.025 1.00 0.00 C ATOM 874 O PRO A 701 10.168 -7.617 7.798 1.00 0.00 O ATOM 875 CB PRO A 701 11.107 -5.815 10.387 1.00 0.00 C ATOM 876 CG PRO A 701 11.215 -6.370 11.766 1.00 0.00 C ATOM 877 CD PRO A 701 9.804 -6.502 12.270 1.00 0.00 C ATOM 0 HA PRO A 701 9.282 -5.733 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 701 11.962 -6.104 9.776 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.079 -4.725 10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.719 -7.336 11.760 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.799 -5.710 12.408 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.694 -7.356 12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.492 -5.619 12.828 1.00 0.00 H new ATOM 885 N GLU A 702 10.238 -8.782 9.722 1.00 0.00 N ATOM 886 CA GLU A 702 10.512 -10.056 9.068 1.00 0.00 C ATOM 887 C GLU A 702 9.355 -10.461 8.159 1.00 0.00 C ATOM 888 O GLU A 702 9.565 -10.926 7.039 1.00 0.00 O ATOM 889 CB GLU A 702 10.761 -11.147 10.111 1.00 0.00 C ATOM 890 CG GLU A 702 9.525 -11.516 10.914 1.00 0.00 C ATOM 891 CD GLU A 702 9.848 -12.372 12.123 1.00 0.00 C ATOM 892 OE1 GLU A 702 10.136 -13.574 11.939 1.00 0.00 O ATOM 893 OE2 GLU A 702 9.813 -11.841 13.253 1.00 0.00 O ATOM 0 H GLU A 702 10.174 -8.834 10.739 1.00 0.00 H new ATOM 0 HA GLU A 702 11.407 -9.936 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.137 -12.038 9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.541 -10.813 10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.024 -10.605 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.825 -12.051 10.272 1.00 0.00 H new ATOM 900 N VAL A 703 8.133 -10.281 8.650 1.00 0.00 N ATOM 901 CA VAL A 703 6.942 -10.626 7.883 1.00 0.00 C ATOM 902 C VAL A 703 6.986 -10.007 6.491 1.00 0.00 C ATOM 903 O VAL A 703 6.962 -10.714 5.485 1.00 0.00 O ATOM 904 CB VAL A 703 5.660 -10.163 8.599 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.437 -10.442 7.739 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.533 -10.840 9.956 1.00 0.00 C ATOM 0 H VAL A 703 7.942 -9.898 9.576 1.00 0.00 H new ATOM 0 HA VAL A 703 6.927 -11.712 7.793 1.00 0.00 H new ATOM 0 HB VAL A 703 5.724 -9.087 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.541 -10.108 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.527 -9.906 6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.366 -11.512 7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.621 -10.501 10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.492 -11.921 9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.395 -10.584 10.572 1.00 0.00 H new ATOM 916 N ALA A 704 7.051 -8.680 6.442 1.00 0.00 N ATOM 917 CA ALA A 704 7.100 -7.965 5.173 1.00 0.00 C ATOM 918 C ALA A 704 8.033 -8.660 4.187 1.00 0.00 C ATOM 919 O ALA A 704 7.614 -9.067 3.104 1.00 0.00 O ATOM 920 CB ALA A 704 7.542 -6.526 5.395 1.00 0.00 C ATOM 0 H ALA A 704 7.071 -8.079 7.266 1.00 0.00 H new ATOM 0 HA ALA A 704 6.097 -7.964 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.574 -6.004 4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.835 -6.026 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.534 -6.516 5.848 1.00 0.00 H new ATOM 926 N GLU A 705 9.300 -8.791 4.569 1.00 0.00 N ATOM 927 CA GLU A 705 10.291 -9.436 3.716 1.00 0.00 C ATOM 928 C GLU A 705 9.724 -10.705 3.087 1.00 0.00 C ATOM 929 O GLU A 705 10.098 -11.080 1.975 1.00 0.00 O ATOM 930 CB GLU A 705 11.549 -9.771 4.522 1.00 0.00 C ATOM 931 CG GLU A 705 12.530 -8.615 4.626 1.00 0.00 C ATOM 932 CD GLU A 705 13.877 -9.042 5.176 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.725 -9.497 4.380 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.083 -8.921 6.401 1.00 0.00 O ATOM 0 H GLU A 705 9.664 -8.459 5.462 1.00 0.00 H new ATOM 0 HA GLU A 705 10.553 -8.742 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.256 -10.080 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.050 -10.622 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.668 -8.171 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.108 -7.842 5.268 1.00 0.00 H new ATOM 941 N ARG A 706 8.821 -11.363 3.806 1.00 0.00 N ATOM 942 CA ARG A 706 8.203 -12.591 3.320 1.00 0.00 C ATOM 943 C ARG A 706 7.049 -12.280 2.370 1.00 0.00 C ATOM 944 O ARG A 706 7.049 -12.711 1.218 1.00 0.00 O ATOM 945 CB ARG A 706 7.699 -13.433 4.493 1.00 0.00 C ATOM 946 CG ARG A 706 7.365 -14.867 4.115 1.00 0.00 C ATOM 947 CD ARG A 706 6.434 -15.509 5.132 1.00 0.00 C ATOM 948 NE ARG A 706 7.134 -15.872 6.361 1.00 0.00 N ATOM 949 CZ ARG A 706 8.055 -16.827 6.427 1.00 0.00 C ATOM 950 NH1 ARG A 706 8.387 -17.509 5.340 1.00 0.00 N ATOM 951 NH2 ARG A 706 8.647 -17.100 7.583 1.00 0.00 N ATOM 0 H ARG A 706 8.501 -11.066 4.728 1.00 0.00 H new ATOM 0 HA ARG A 706 8.958 -13.156 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.457 -13.440 5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.811 -12.961 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.898 -14.885 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.284 -15.449 4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 706 5.623 -14.820 5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.980 -16.399 4.697 1.00 0.00 H new ATOM 0 HE ARG A 706 6.903 -15.365 7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 706 7.935 -17.301 4.450 1.00 0.00 H new ATOM 0 HH12 ARG A 706 9.095 -18.242 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 706 8.395 -16.576 8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 706 9.354 -17.833 7.633 1.00 0.00 H new ATOM 965 N ALA A 707 6.069 -11.531 2.864 1.00 0.00 N ATOM 966 CA ALA A 707 4.911 -11.162 2.060 1.00 0.00 C ATOM 967 C ALA A 707 5.333 -10.704 0.667 1.00 0.00 C ATOM 968 O ALA A 707 4.592 -10.873 -0.302 1.00 0.00 O ATOM 969 CB ALA A 707 4.111 -10.071 2.756 1.00 0.00 C ATOM 0 H ALA A 707 6.054 -11.168 3.817 1.00 0.00 H new ATOM 0 HA ALA A 707 4.281 -12.045 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.249 -9.805 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.770 -10.433 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.740 -9.192 2.897 1.00 0.00 H new ATOM 975 N CYS A 708 6.525 -10.125 0.576 1.00 0.00 N ATOM 976 CA CYS A 708 7.044 -9.642 -0.699 1.00 0.00 C ATOM 977 C CYS A 708 7.079 -10.764 -1.732 1.00 0.00 C ATOM 978 O CYS A 708 6.386 -10.707 -2.747 1.00 0.00 O ATOM 979 CB CYS A 708 8.445 -9.059 -0.514 1.00 0.00 C ATOM 980 SG CYS A 708 9.425 -8.995 -2.032 1.00 0.00 S ATOM 0 H CYS A 708 7.150 -9.979 1.369 1.00 0.00 H new ATOM 0 HA CYS A 708 6.378 -8.860 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.357 -8.051 -0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.980 -9.654 0.226 1.00 0.00 H new ATOM 0 HG CYS A 708 8.722 -8.450 -2.980 1.00 0.00 H new ATOM 986 N ARG A 709 7.892 -11.781 -1.466 1.00 0.00 N ATOM 987 CA ARG A 709 8.020 -12.914 -2.374 1.00 0.00 C ATOM 988 C ARG A 709 6.710 -13.690 -2.463 1.00 0.00 C ATOM 989 O ARG A 709 6.301 -14.115 -3.543 1.00 0.00 O ATOM 990 CB ARG A 709 9.145 -13.842 -1.910 1.00 0.00 C ATOM 991 CG ARG A 709 10.517 -13.439 -2.423 1.00 0.00 C ATOM 992 CD ARG A 709 11.210 -12.481 -1.467 1.00 0.00 C ATOM 993 NE ARG A 709 12.112 -11.568 -2.165 1.00 0.00 N ATOM 994 CZ ARG A 709 13.251 -11.950 -2.731 1.00 0.00 C ATOM 995 NH1 ARG A 709 13.626 -13.221 -2.683 1.00 0.00 N ATOM 996 NH2 ARG A 709 14.018 -11.060 -3.348 1.00 0.00 N ATOM 0 H ARG A 709 8.472 -11.843 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 709 8.262 -12.528 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.164 -13.859 -0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 709 8.927 -14.857 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 709 11.132 -14.329 -2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.417 -12.969 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 709 10.460 -11.905 -0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.772 -13.051 -0.727 1.00 0.00 H new ATOM 0 HE ARG A 709 11.853 -10.583 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 709 13.039 -13.908 -2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 709 14.501 -13.511 -3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 709 13.733 -10.081 -3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 709 14.893 -11.354 -3.782 1.00 0.00 H new ATOM 1010 N MET A 710 6.057 -13.871 -1.320 1.00 0.00 N ATOM 1011 CA MET A 710 4.792 -14.596 -1.269 1.00 0.00 C ATOM 1012 C MET A 710 3.774 -13.981 -2.225 1.00 0.00 C ATOM 1013 O MET A 710 2.947 -14.685 -2.802 1.00 0.00 O ATOM 1014 CB MET A 710 4.236 -14.595 0.156 1.00 0.00 C ATOM 1015 CG MET A 710 4.748 -15.743 1.010 1.00 0.00 C ATOM 1016 SD MET A 710 4.088 -15.712 2.687 1.00 0.00 S ATOM 1017 CE MET A 710 2.393 -16.210 2.392 1.00 0.00 C ATOM 0 H MET A 710 6.382 -13.526 -0.417 1.00 0.00 H new ATOM 0 HA MET A 710 4.979 -15.625 -1.578 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.495 -13.652 0.637 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.148 -14.643 0.112 1.00 0.00 H new ATOM 0 HG2 MET A 710 4.483 -16.689 0.537 1.00 0.00 H new ATOM 0 HG3 MET A 710 5.836 -15.702 1.052 1.00 0.00 H new ATOM 0 HE1 MET A 710 1.912 -16.445 3.342 1.00 0.00 H new ATOM 0 HE2 MET A 710 1.855 -15.398 1.904 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.379 -17.091 1.751 1.00 0.00 H new ATOM 1027 N MET A 711 3.842 -12.663 -2.386 1.00 0.00 N ATOM 1028 CA MET A 711 2.926 -11.955 -3.273 1.00 0.00 C ATOM 1029 C MET A 711 3.633 -11.528 -4.555 1.00 0.00 C ATOM 1030 O MET A 711 2.989 -11.159 -5.536 1.00 0.00 O ATOM 1031 CB MET A 711 2.344 -10.729 -2.566 1.00 0.00 C ATOM 1032 CG MET A 711 1.539 -11.070 -1.322 1.00 0.00 C ATOM 1033 SD MET A 711 0.333 -12.379 -1.613 1.00 0.00 S ATOM 1034 CE MET A 711 -1.182 -11.558 -1.124 1.00 0.00 C ATOM 0 H MET A 711 4.521 -12.065 -1.915 1.00 0.00 H new ATOM 0 HA MET A 711 2.115 -12.634 -3.535 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.158 -10.059 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.707 -10.186 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.219 -11.377 -0.527 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.022 -10.176 -0.972 1.00 0.00 H new ATOM 0 HE1 MET A 711 -2.027 -12.021 -1.634 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.314 -11.650 -0.046 1.00 0.00 H new ATOM 0 HE3 MET A 711 -1.128 -10.503 -1.395 1.00 0.00 H new ATOM 1044 N ASN A 712 4.961 -11.582 -4.540 1.00 0.00 N ATOM 1045 CA ASN A 712 5.754 -11.200 -5.703 1.00 0.00 C ATOM 1046 C ASN A 712 5.311 -11.973 -6.941 1.00 0.00 C ATOM 1047 O ASN A 712 5.538 -13.177 -7.049 1.00 0.00 O ATOM 1048 CB ASN A 712 7.240 -11.450 -5.436 1.00 0.00 C ATOM 1049 CG ASN A 712 8.106 -11.124 -6.638 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.632 -10.558 -7.623 1.00 0.00 O ATOM 1051 ND2 ASN A 712 9.383 -11.481 -6.561 1.00 0.00 N ATOM 0 H ASN A 712 5.510 -11.886 -3.736 1.00 0.00 H new ATOM 0 HA ASN A 712 5.598 -10.137 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.560 -10.847 -4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.386 -12.494 -5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 712 10.014 -11.288 -7.339 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.732 -11.948 -5.724 1.00 0.00 H new ATOM 1058 N GLY A 713 4.678 -11.270 -7.876 1.00 0.00 N ATOM 1059 CA GLY A 713 4.213 -11.905 -9.095 1.00 0.00 C ATOM 1060 C GLY A 713 2.866 -12.577 -8.921 1.00 0.00 C ATOM 1061 O GLY A 713 2.527 -13.502 -9.658 1.00 0.00 O ATOM 0 H GLY A 713 4.479 -10.272 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.144 -11.158 -9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 713 4.946 -12.645 -9.418 1.00 0.00 H new ATOM 1065 N MET A 714 2.096 -12.112 -7.943 1.00 0.00 N ATOM 1066 CA MET A 714 0.778 -12.675 -7.674 1.00 0.00 C ATOM 1067 C MET A 714 -0.215 -12.278 -8.763 1.00 0.00 C ATOM 1068 O MET A 714 -0.761 -11.175 -8.747 1.00 0.00 O ATOM 1069 CB MET A 714 0.269 -12.209 -6.309 1.00 0.00 C ATOM 1070 CG MET A 714 -1.185 -12.569 -6.047 1.00 0.00 C ATOM 1071 SD MET A 714 -1.610 -12.514 -4.296 1.00 0.00 S ATOM 1072 CE MET A 714 -1.427 -10.764 -3.958 1.00 0.00 C ATOM 0 H MET A 714 2.362 -11.347 -7.323 1.00 0.00 H new ATOM 0 HA MET A 714 0.869 -13.761 -7.668 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.890 -12.650 -5.529 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.386 -11.128 -6.237 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.830 -11.882 -6.595 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.383 -13.569 -6.434 1.00 0.00 H new ATOM 0 HE1 MET A 714 -2.218 -10.439 -3.282 1.00 0.00 H new ATOM 0 HE2 MET A 714 -0.457 -10.582 -3.495 1.00 0.00 H new ATOM 0 HE3 MET A 714 -1.494 -10.204 -4.891 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.443 -13.184 -9.708 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.370 -12.930 -10.804 1.00 0.00 C ATOM 1084 C LYS A 715 -2.723 -12.463 -10.275 1.00 0.00 C ATOM 1085 O LYS A 715 -3.536 -13.269 -9.821 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.550 -14.192 -11.650 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.583 -14.284 -12.818 1.00 0.00 C ATOM 1088 CD LYS A 715 -1.155 -13.638 -14.068 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.563 -14.245 -15.331 1.00 0.00 C ATOM 1090 NZ LYS A 715 0.664 -13.525 -15.770 1.00 0.00 N ATOM 0 H LYS A 715 0.002 -14.101 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.950 -12.140 -11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.422 -15.067 -11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.571 -14.221 -12.031 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.356 -13.798 -12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.354 -15.330 -13.020 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -2.238 -13.759 -14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.954 -12.567 -14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 715 -0.325 -15.294 -15.153 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -1.305 -14.218 -16.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 0.733 -13.557 -16.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 0.616 -12.534 -15.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 1.501 -13.980 -15.353 1.00 0.00 H new ATOM 1104 N LEU A 716 -2.958 -11.157 -10.338 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.214 -10.582 -9.867 1.00 0.00 C ATOM 1106 C LEU A 716 -5.159 -10.308 -11.033 1.00 0.00 C ATOM 1107 O LEU A 716 -4.836 -9.540 -11.939 1.00 0.00 O ATOM 1108 CB LEU A 716 -3.948 -9.288 -9.096 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.422 -9.453 -7.670 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.272 -8.098 -6.996 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.344 -10.354 -6.861 1.00 0.00 C ATOM 0 H LEU A 716 -2.296 -10.476 -10.710 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.688 -11.303 -9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.230 -8.693 -9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -4.875 -8.715 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.440 -9.923 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.897 -8.236 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.571 -7.485 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.241 -7.600 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -3.953 -10.460 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.340 -9.913 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -4.400 -11.335 -7.333 1.00 0.00 H new ATOM 1123 N SER A 717 -6.328 -10.940 -11.002 1.00 0.00 N ATOM 1124 CA SER A 717 -7.319 -10.765 -12.057 1.00 0.00 C ATOM 1125 C SER A 717 -6.651 -10.718 -13.428 1.00 0.00 C ATOM 1126 O SER A 717 -6.991 -9.887 -14.269 1.00 0.00 O ATOM 1127 CB SER A 717 -8.122 -9.483 -11.825 1.00 0.00 C ATOM 1128 OG SER A 717 -9.214 -9.395 -12.723 1.00 0.00 O ATOM 0 H SER A 717 -6.612 -11.578 -10.258 1.00 0.00 H new ATOM 0 HA SER A 717 -7.996 -11.619 -12.030 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.489 -9.461 -10.799 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.473 -8.616 -11.951 1.00 0.00 H new ATOM 0 HG SER A 717 -8.885 -9.449 -13.645 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.698 -11.619 -13.646 1.00 0.00 N ATOM 1135 CA GLY A 718 -4.996 -11.665 -14.915 1.00 0.00 C ATOM 1136 C GLY A 718 -3.978 -10.551 -15.056 1.00 0.00 C ATOM 1137 O GLY A 718 -3.656 -10.132 -16.168 1.00 0.00 O ATOM 0 H GLY A 718 -5.400 -12.318 -12.966 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.493 -12.627 -15.014 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.718 -11.598 -15.729 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.472 -10.069 -13.926 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.486 -8.994 -13.927 1.00 0.00 C ATOM 1143 C ARG A 719 -1.412 -9.240 -12.872 1.00 0.00 C ATOM 1144 O ARG A 719 -1.679 -9.168 -11.673 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.168 -7.648 -13.673 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.174 -7.263 -14.745 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.115 -6.171 -14.259 1.00 0.00 C ATOM 1148 NE ARG A 719 -4.575 -4.836 -14.501 1.00 0.00 N ATOM 1149 CZ ARG A 719 -5.309 -3.729 -14.469 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -6.607 -3.798 -14.206 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -4.746 -2.550 -14.699 1.00 0.00 N ATOM 0 H ARG A 719 -3.728 -10.405 -12.998 1.00 0.00 H new ATOM 0 HA ARG A 719 -2.009 -8.973 -14.907 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.674 -7.683 -12.708 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.406 -6.871 -13.606 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -3.646 -6.920 -15.635 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.752 -8.140 -15.035 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -6.076 -6.270 -14.763 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -5.300 -6.300 -13.192 1.00 0.00 H new ATOM 0 HE ARG A 719 -3.580 -4.749 -14.706 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -7.044 -4.702 -14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -7.168 -2.947 -14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -3.748 -2.492 -14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -5.311 -1.701 -14.674 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.197 -9.530 -13.329 1.00 0.00 N ATOM 1166 CA GLU A 720 0.916 -9.787 -12.423 1.00 0.00 C ATOM 1167 C GLU A 720 1.317 -8.517 -11.678 1.00 0.00 C ATOM 1168 O GLU A 720 1.557 -7.476 -12.290 1.00 0.00 O ATOM 1169 CB GLU A 720 2.116 -10.337 -13.198 1.00 0.00 C ATOM 1170 CG GLU A 720 2.098 -11.848 -13.356 1.00 0.00 C ATOM 1171 CD GLU A 720 2.906 -12.320 -14.550 1.00 0.00 C ATOM 1172 OE1 GLU A 720 2.864 -11.642 -15.598 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.579 -13.365 -14.436 1.00 0.00 O ATOM 0 H GLU A 720 0.041 -9.593 -14.319 1.00 0.00 H new ATOM 0 HA GLU A 720 0.592 -10.529 -11.693 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.141 -9.877 -14.186 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.033 -10.045 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.492 -12.309 -12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.067 -12.186 -13.463 1.00 0.00 H new ATOM 1180 N ILE A 721 1.387 -8.612 -10.355 1.00 0.00 N ATOM 1181 CA ILE A 721 1.758 -7.472 -9.527 1.00 0.00 C ATOM 1182 C ILE A 721 3.225 -7.545 -9.116 1.00 0.00 C ATOM 1183 O ILE A 721 3.794 -8.631 -9.000 1.00 0.00 O ATOM 1184 CB ILE A 721 0.886 -7.388 -8.260 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.157 -8.586 -7.348 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.587 -7.322 -8.635 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.662 -8.391 -5.932 1.00 0.00 C ATOM 0 H ILE A 721 1.192 -9.467 -9.834 1.00 0.00 H new ATOM 0 HA ILE A 721 1.596 -6.579 -10.130 1.00 0.00 H new ATOM 0 HB ILE A 721 1.144 -6.478 -7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.681 -9.470 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.229 -8.780 -7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.191 -7.263 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.767 -6.440 -9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.860 -8.216 -9.196 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.888 -9.279 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 721 1.156 -7.526 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.416 -8.227 -5.943 1.00 0.00 H new ATOM 1199 N ASP A 722 3.831 -6.383 -8.897 1.00 0.00 N ATOM 1200 CA ASP A 722 5.232 -6.315 -8.496 1.00 0.00 C ATOM 1201 C ASP A 722 5.358 -5.948 -7.021 1.00 0.00 C ATOM 1202 O ASP A 722 5.251 -4.779 -6.650 1.00 0.00 O ATOM 1203 CB ASP A 722 5.981 -5.295 -9.355 1.00 0.00 C ATOM 1204 CG ASP A 722 7.482 -5.359 -9.153 1.00 0.00 C ATOM 1205 OD1 ASP A 722 7.927 -5.307 -7.987 1.00 0.00 O ATOM 1206 OD2 ASP A 722 8.212 -5.463 -10.161 1.00 0.00 O ATOM 0 H ASP A 722 3.374 -5.476 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 722 5.676 -7.299 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.751 -5.471 -10.406 1.00 0.00 H new ATOM 0 HB3 ASP A 722 5.627 -4.292 -9.115 1.00 0.00 H new ATOM 1211 N VAL A 723 5.584 -6.955 -6.183 1.00 0.00 N ATOM 1212 CA VAL A 723 5.725 -6.738 -4.748 1.00 0.00 C ATOM 1213 C VAL A 723 7.193 -6.663 -4.345 1.00 0.00 C ATOM 1214 O VAL A 723 8.011 -7.468 -4.790 1.00 0.00 O ATOM 1215 CB VAL A 723 5.038 -7.856 -3.942 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.862 -7.437 -2.490 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.700 -8.219 -4.567 1.00 0.00 C ATOM 0 H VAL A 723 5.673 -7.929 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 723 5.241 -5.788 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 723 5.675 -8.740 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.375 -8.240 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.838 -7.232 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.247 -6.538 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.229 -9.011 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.053 -7.342 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.858 -8.565 -5.588 1.00 0.00 H new ATOM 1227 N ARG A 724 7.520 -5.691 -3.499 1.00 0.00 N ATOM 1228 CA ARG A 724 8.890 -5.511 -3.035 1.00 0.00 C ATOM 1229 C ARG A 724 8.922 -4.731 -1.724 1.00 0.00 C ATOM 1230 O ARG A 724 7.938 -4.096 -1.344 1.00 0.00 O ATOM 1231 CB ARG A 724 9.717 -4.781 -4.095 1.00 0.00 C ATOM 1232 CG ARG A 724 9.911 -5.580 -5.374 1.00 0.00 C ATOM 1233 CD ARG A 724 10.804 -4.844 -6.360 1.00 0.00 C ATOM 1234 NE ARG A 724 10.060 -3.866 -7.149 1.00 0.00 N ATOM 1235 CZ ARG A 724 10.616 -3.093 -8.075 1.00 0.00 C ATOM 1236 NH1 ARG A 724 11.914 -3.185 -8.329 1.00 0.00 N ATOM 1237 NH2 ARG A 724 9.872 -2.226 -8.751 1.00 0.00 N ATOM 0 H ARG A 724 6.855 -5.016 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 724 9.321 -6.497 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.229 -3.837 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.694 -4.537 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 724 10.351 -6.549 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 724 8.942 -5.774 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 724 11.604 -4.339 -5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 724 11.277 -5.564 -7.028 1.00 0.00 H new ATOM 0 HE ARG A 724 9.059 -3.771 -6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 724 12.489 -3.851 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 724 12.338 -2.590 -9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 724 8.873 -2.153 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 724 10.300 -1.633 -9.462 1.00 0.00 H new ATOM 1251 N ILE A 725 10.059 -4.786 -1.037 1.00 0.00 N ATOM 1252 CA ILE A 725 10.219 -4.085 0.231 1.00 0.00 C ATOM 1253 C ILE A 725 10.498 -2.602 0.008 1.00 0.00 C ATOM 1254 O ILE A 725 11.317 -2.234 -0.835 1.00 0.00 O ATOM 1255 CB ILE A 725 11.360 -4.691 1.069 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.091 -6.173 1.340 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.520 -3.928 2.376 1.00 0.00 C ATOM 1258 CD1 ILE A 725 9.910 -6.415 2.253 1.00 0.00 C ATOM 0 H ILE A 725 10.882 -5.308 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 725 9.281 -4.198 0.775 1.00 0.00 H new ATOM 0 HB ILE A 725 12.289 -4.607 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 725 10.917 -6.682 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 725 11.981 -6.620 1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.330 -4.368 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.752 -2.885 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.593 -3.984 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 725 9.778 -7.487 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.090 -5.935 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.010 -5.998 1.802 1.00 0.00 H new ATOM 1270 N ASP A 726 9.815 -1.756 0.771 1.00 0.00 N ATOM 1271 CA ASP A 726 9.992 -0.313 0.659 1.00 0.00 C ATOM 1272 C ASP A 726 11.107 0.171 1.581 1.00 0.00 C ATOM 1273 O ASP A 726 11.011 0.052 2.802 1.00 0.00 O ATOM 1274 CB ASP A 726 8.686 0.410 0.995 1.00 0.00 C ATOM 1275 CG ASP A 726 8.708 1.868 0.581 1.00 0.00 C ATOM 1276 OD1 ASP A 726 9.816 2.426 0.436 1.00 0.00 O ATOM 1277 OD2 ASP A 726 7.618 2.451 0.402 1.00 0.00 O ATOM 0 H ASP A 726 9.134 -2.044 1.473 1.00 0.00 H new ATOM 0 HA ASP A 726 10.271 -0.085 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.857 -0.093 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.502 0.343 2.067 1.00 0.00 H new