USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=19 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 159:sc= -5.57 (180deg=-2.73) USER MOD Set 1.2: A 714 MET CE :methyl -117:sc= -4.22! (180deg=-5.51!) USER MOD Set 2.1: A 675 CYS SG : rot -139:sc= -2.07 USER MOD Set 2.2: A 710 MET CE :methyl -125:sc= -1.36 (180deg=-1.32) USER MOD Set 3.1: A 680 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 684 LYS NZ :NH3+ -160:sc= -0.747 (180deg=-0.993) USER MOD Single : A 652 CYS SG : rot 180:sc=-0.00404 USER MOD Single : A 653 GLN : amide:sc= -4.81! C(o=-4.8!,f=-12!) USER MOD Single : A 658 ASN :FLIP amide:sc= -0.65 F(o=-1.7,f=-0.65) USER MOD Single : A 664 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 LYS NZ :NH3+ -150:sc= -0.272 (180deg=-1) USER MOD Single : A 667 MET CE :methyl -110:sc= -1.92 (180deg=-3.07!) USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 LYS NZ :NH3+ -131:sc= -0.503 (180deg=-2.4!) USER MOD Single : A 673 ASN :FLIP amide:sc= -1.13 F(o=-2.7,f=-1.1) USER MOD Single : A 677 HIS : no HE2:sc= -5! C(o=-5!,f=-4.8!) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -2.27 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 150:sc= -6.63! USER MOD Single : A 712 ASN :FLIP amide:sc= -0.978 F(o=-2!,f=-0.98) USER MOD Single : A 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 717 SER OG : rot -46:sc= 0.665 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.242 -3.468 7.504 1.00 0.00 N ATOM 77 CA CYS A 652 7.883 -3.938 7.750 1.00 0.00 C ATOM 78 C CYS A 652 6.928 -3.424 6.678 1.00 0.00 C ATOM 79 O CYS A 652 5.920 -4.061 6.374 1.00 0.00 O ATOM 80 CB CYS A 652 7.408 -3.489 9.132 1.00 0.00 C ATOM 81 SG CYS A 652 7.437 -1.698 9.376 1.00 0.00 S ATOM 0 HA CYS A 652 7.889 -5.027 7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.392 -3.850 9.290 1.00 0.00 H new ATOM 0 HB3 CYS A 652 8.035 -3.958 9.890 1.00 0.00 H new ATOM 0 HG CYS A 652 7.017 -1.416 10.573 1.00 0.00 H new ATOM 87 N GLN A 653 7.253 -2.266 6.110 1.00 0.00 N ATOM 88 CA GLN A 653 6.421 -1.665 5.073 1.00 0.00 C ATOM 89 C GLN A 653 6.850 -2.140 3.689 1.00 0.00 C ATOM 90 O GLN A 653 8.033 -2.379 3.442 1.00 0.00 O ATOM 91 CB GLN A 653 6.499 -0.140 5.149 1.00 0.00 C ATOM 92 CG GLN A 653 5.728 0.564 4.044 1.00 0.00 C ATOM 93 CD GLN A 653 4.291 0.857 4.430 1.00 0.00 C ATOM 94 OE1 GLN A 653 3.839 0.483 5.512 1.00 0.00 O ATOM 95 NE2 GLN A 653 3.565 1.529 3.545 1.00 0.00 N ATOM 0 H GLN A 653 8.085 -1.726 6.350 1.00 0.00 H new ATOM 0 HA GLN A 653 5.390 -1.978 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 653 6.114 0.188 6.115 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.544 0.165 5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 653 6.231 1.498 3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 653 5.740 -0.055 3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 653 3.980 1.820 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 653 2.592 1.755 3.750 1.00 0.00 H new ATOM 104 N ILE A 654 5.881 -2.275 2.789 1.00 0.00 N ATOM 105 CA ILE A 654 6.159 -2.721 1.429 1.00 0.00 C ATOM 106 C ILE A 654 5.360 -1.913 0.412 1.00 0.00 C ATOM 107 O ILE A 654 4.572 -1.041 0.777 1.00 0.00 O ATOM 108 CB ILE A 654 5.835 -4.216 1.249 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.322 -4.438 1.273 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.514 -5.039 2.334 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.908 -5.826 0.837 1.00 0.00 C ATOM 0 H ILE A 654 4.897 -2.082 2.977 1.00 0.00 H new ATOM 0 HA ILE A 654 7.224 -2.566 1.257 1.00 0.00 H new ATOM 0 HB ILE A 654 6.216 -4.542 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.952 -4.258 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.845 -3.704 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.276 -6.093 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.593 -4.900 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.160 -4.714 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.822 -5.912 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 654 4.247 -6.003 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.356 -6.565 1.501 1.00 0.00 H new ATOM 123 N PHE A 655 5.568 -2.211 -0.866 1.00 0.00 N ATOM 124 CA PHE A 655 4.867 -1.513 -1.937 1.00 0.00 C ATOM 125 C PHE A 655 4.333 -2.500 -2.972 1.00 0.00 C ATOM 126 O PHE A 655 4.882 -3.588 -3.149 1.00 0.00 O ATOM 127 CB PHE A 655 5.797 -0.503 -2.612 1.00 0.00 C ATOM 128 CG PHE A 655 5.070 0.620 -3.294 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.721 1.764 -2.594 1.00 0.00 C ATOM 130 CD2 PHE A 655 4.734 0.532 -4.635 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.052 2.800 -3.218 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.065 1.565 -5.265 1.00 0.00 C ATOM 133 CZ PHE A 655 3.723 2.699 -4.556 1.00 0.00 C ATOM 0 H PHE A 655 6.216 -2.931 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 655 4.023 -0.982 -1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.472 -0.087 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.414 -1.023 -3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 655 4.975 1.847 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 655 4.998 -0.353 -5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.787 3.686 -2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 655 3.810 1.485 -6.311 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.199 3.506 -5.047 1.00 0.00 H new ATOM 143 N VAL A 656 3.260 -2.112 -3.653 1.00 0.00 N ATOM 144 CA VAL A 656 2.652 -2.961 -4.670 1.00 0.00 C ATOM 145 C VAL A 656 2.303 -2.159 -5.919 1.00 0.00 C ATOM 146 O VAL A 656 2.069 -0.952 -5.849 1.00 0.00 O ATOM 147 CB VAL A 656 1.378 -3.646 -4.141 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.879 -4.686 -5.133 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.638 -4.277 -2.781 1.00 0.00 C ATOM 0 H VAL A 656 2.794 -1.215 -3.519 1.00 0.00 H new ATOM 0 HA VAL A 656 3.387 -3.724 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 656 0.602 -2.889 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.022 -5.159 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.652 -4.203 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.649 -5.442 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.727 -4.756 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.429 -5.022 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.944 -3.506 -2.075 1.00 0.00 H new ATOM 159 N ARG A 657 2.269 -2.838 -7.061 1.00 0.00 N ATOM 160 CA ARG A 657 1.949 -2.188 -8.326 1.00 0.00 C ATOM 161 C ARG A 657 1.216 -3.148 -9.260 1.00 0.00 C ATOM 162 O ARG A 657 1.319 -4.365 -9.120 1.00 0.00 O ATOM 163 CB ARG A 657 3.225 -1.680 -9.000 1.00 0.00 C ATOM 164 CG ARG A 657 3.882 -0.523 -8.264 1.00 0.00 C ATOM 165 CD ARG A 657 5.093 0.002 -9.020 1.00 0.00 C ATOM 166 NE ARG A 657 5.867 0.950 -8.223 1.00 0.00 N ATOM 167 CZ ARG A 657 6.946 1.579 -8.674 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.377 1.363 -9.909 1.00 0.00 N ATOM 169 NH2 ARG A 657 7.597 2.428 -7.888 1.00 0.00 N ATOM 0 H ARG A 657 2.459 -3.837 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 657 1.295 -1.342 -8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.937 -2.502 -9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.989 -1.366 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.159 0.281 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.186 -0.849 -7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.730 -0.834 -9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 657 4.764 0.485 -9.940 1.00 0.00 H new ATOM 0 HE ARG A 657 5.562 1.139 -7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 657 6.879 0.712 -10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 657 8.206 1.848 -10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 657 7.268 2.597 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 657 8.426 2.911 -8.235 1.00 0.00 H new ATOM 183 N ASN A 658 0.476 -2.589 -10.212 1.00 0.00 N ATOM 184 CA ASN A 658 -0.275 -3.395 -11.168 1.00 0.00 C ATOM 185 C ASN A 658 -1.426 -4.122 -10.480 1.00 0.00 C ATOM 186 O ASN A 658 -1.573 -5.338 -10.610 1.00 0.00 O ATOM 187 CB ASN A 658 0.648 -4.407 -11.850 1.00 0.00 C ATOM 188 CG ASN A 658 0.200 -4.740 -13.260 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.378 -5.923 -13.432 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.371 -3.943 -14.182 1.00 0.00 N flip ATOM 0 H ASN A 658 0.380 -1.582 -10.342 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.690 -2.727 -11.922 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.662 -4.008 -11.879 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.682 -5.321 -11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 658 0.820 -3.045 -14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 658 0.064 -4.181 -15.125 1.00 0.00 H new ATOM 197 N LEU A 659 -2.241 -3.370 -9.749 1.00 0.00 N ATOM 198 CA LEU A 659 -3.381 -3.942 -9.041 1.00 0.00 C ATOM 199 C LEU A 659 -4.675 -3.709 -9.814 1.00 0.00 C ATOM 200 O LEU A 659 -4.875 -2.667 -10.437 1.00 0.00 O ATOM 201 CB LEU A 659 -3.493 -3.336 -7.641 1.00 0.00 C ATOM 202 CG LEU A 659 -2.431 -3.775 -6.632 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.355 -2.791 -5.475 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.726 -5.178 -6.123 1.00 0.00 C ATOM 0 H LEU A 659 -2.134 -2.363 -9.631 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.221 -5.017 -8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.452 -2.251 -7.732 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.474 -3.585 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.464 -3.789 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.594 -3.120 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -2.095 -1.803 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.321 -2.744 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -1.960 -5.474 -5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.702 -5.191 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.728 -5.876 -6.960 1.00 0.00 H new ATOM 216 N PRO A 660 -5.577 -4.701 -9.771 1.00 0.00 N ATOM 217 CA PRO A 660 -6.869 -4.626 -10.459 1.00 0.00 C ATOM 218 C PRO A 660 -7.590 -3.308 -10.198 1.00 0.00 C ATOM 219 O PRO A 660 -7.689 -2.859 -9.055 1.00 0.00 O ATOM 220 CB PRO A 660 -7.657 -5.795 -9.862 1.00 0.00 C ATOM 221 CG PRO A 660 -6.618 -6.767 -9.422 1.00 0.00 C ATOM 222 CD PRO A 660 -5.405 -5.972 -9.047 1.00 0.00 C ATOM 0 HA PRO A 660 -6.758 -4.678 -11.542 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.274 -5.470 -9.025 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.327 -6.238 -10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -6.972 -7.353 -8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.386 -7.471 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.348 -5.814 -7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.487 -6.480 -9.343 1.00 0.00 H new ATOM 230 N PHE A 661 -8.093 -2.693 -11.263 1.00 0.00 N ATOM 231 CA PHE A 661 -8.805 -1.425 -11.148 1.00 0.00 C ATOM 232 C PHE A 661 -9.780 -1.453 -9.974 1.00 0.00 C ATOM 233 O PHE A 661 -9.847 -0.510 -9.186 1.00 0.00 O ATOM 234 CB PHE A 661 -9.558 -1.120 -12.444 1.00 0.00 C ATOM 235 CG PHE A 661 -8.690 -0.527 -13.516 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.931 0.605 -13.265 1.00 0.00 C ATOM 237 CD2 PHE A 661 -8.632 -1.102 -14.776 1.00 0.00 C ATOM 238 CE1 PHE A 661 -7.132 1.153 -14.251 1.00 0.00 C ATOM 239 CE2 PHE A 661 -7.834 -0.558 -15.765 1.00 0.00 C ATOM 240 CZ PHE A 661 -7.082 0.570 -15.502 1.00 0.00 C ATOM 0 H PHE A 661 -8.021 -3.052 -12.215 1.00 0.00 H new ATOM 0 HA PHE A 661 -8.071 -0.639 -10.969 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -10.007 -2.040 -12.819 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.375 -0.432 -12.227 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.964 1.064 -12.288 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -9.217 -1.985 -14.987 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -6.547 2.037 -14.043 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -7.799 -1.015 -16.743 1.00 0.00 H new ATOM 0 HZ PHE A 661 -6.456 0.995 -16.273 1.00 0.00 H new ATOM 250 N ASP A 662 -10.533 -2.542 -9.865 1.00 0.00 N ATOM 251 CA ASP A 662 -11.505 -2.695 -8.788 1.00 0.00 C ATOM 252 C ASP A 662 -10.804 -2.841 -7.441 1.00 0.00 C ATOM 253 O ASP A 662 -11.304 -2.377 -6.416 1.00 0.00 O ATOM 254 CB ASP A 662 -12.398 -3.909 -9.047 1.00 0.00 C ATOM 255 CG ASP A 662 -13.406 -4.134 -7.937 1.00 0.00 C ATOM 256 OD1 ASP A 662 -13.837 -3.139 -7.316 1.00 0.00 O ATOM 257 OD2 ASP A 662 -13.764 -5.304 -7.689 1.00 0.00 O ATOM 0 H ASP A 662 -10.489 -3.332 -10.509 1.00 0.00 H new ATOM 0 HA ASP A 662 -12.124 -1.798 -8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -12.926 -3.773 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -11.776 -4.798 -9.154 1.00 0.00 H new ATOM 262 N PHE A 663 -9.644 -3.490 -7.451 1.00 0.00 N ATOM 263 CA PHE A 663 -8.876 -3.699 -6.229 1.00 0.00 C ATOM 264 C PHE A 663 -8.977 -2.487 -5.308 1.00 0.00 C ATOM 265 O PHE A 663 -8.537 -1.390 -5.655 1.00 0.00 O ATOM 266 CB PHE A 663 -7.409 -3.978 -6.566 1.00 0.00 C ATOM 267 CG PHE A 663 -6.724 -4.867 -5.568 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.019 -6.219 -5.507 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.783 -4.350 -4.692 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.391 -7.039 -4.589 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.150 -5.166 -3.772 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.454 -6.512 -3.722 1.00 0.00 C ATOM 0 H PHE A 663 -9.216 -3.880 -8.291 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.293 -4.562 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.352 -4.440 -7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.872 -3.031 -6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -7.748 -6.637 -6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.541 -3.298 -4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -6.633 -8.091 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.419 -4.751 -3.094 1.00 0.00 H new ATOM 0 HZ PHE A 663 -4.960 -7.152 -3.006 1.00 0.00 H new ATOM 282 N THR A 664 -9.560 -2.692 -4.132 1.00 0.00 N ATOM 283 CA THR A 664 -9.722 -1.617 -3.161 1.00 0.00 C ATOM 284 C THR A 664 -8.774 -1.796 -1.980 1.00 0.00 C ATOM 285 O THR A 664 -7.977 -2.733 -1.949 1.00 0.00 O ATOM 286 CB THR A 664 -11.169 -1.545 -2.637 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.501 -2.756 -1.949 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.147 -1.320 -3.780 1.00 0.00 C ATOM 0 H THR A 664 -9.928 -3.593 -3.828 1.00 0.00 H new ATOM 0 HA THR A 664 -9.484 -0.687 -3.677 1.00 0.00 H new ATOM 0 HB THR A 664 -11.242 -0.704 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.422 -2.702 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.162 -1.273 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 664 -11.909 -0.383 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.072 -2.143 -4.491 1.00 0.00 H new ATOM 296 N TRP A 665 -8.868 -0.893 -1.011 1.00 0.00 N ATOM 297 CA TRP A 665 -8.018 -0.952 0.174 1.00 0.00 C ATOM 298 C TRP A 665 -8.313 -2.204 0.992 1.00 0.00 C ATOM 299 O TRP A 665 -7.400 -2.932 1.383 1.00 0.00 O ATOM 300 CB TRP A 665 -8.221 0.295 1.035 1.00 0.00 C ATOM 301 CG TRP A 665 -9.399 0.196 1.957 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.602 0.828 1.821 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.485 -0.581 3.156 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.431 0.491 2.864 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.770 -0.373 3.696 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.604 -1.435 3.825 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -11.190 -0.986 4.873 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -9.023 -2.042 4.994 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.307 -1.816 5.508 1.00 0.00 C ATOM 0 H TRP A 665 -9.523 -0.112 -1.022 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.980 -0.992 -0.155 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.321 0.471 1.625 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.350 1.160 0.384 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.863 1.495 1.013 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.384 0.829 2.997 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.613 -1.617 3.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -12.179 -0.812 5.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.349 -2.702 5.520 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.605 -2.306 6.423 1.00 0.00 H new ATOM 320 N LYS A 666 -9.593 -2.450 1.250 1.00 0.00 N ATOM 321 CA LYS A 666 -10.009 -3.615 2.021 1.00 0.00 C ATOM 322 C LYS A 666 -9.340 -4.882 1.497 1.00 0.00 C ATOM 323 O LYS A 666 -8.624 -5.565 2.229 1.00 0.00 O ATOM 324 CB LYS A 666 -11.530 -3.770 1.969 1.00 0.00 C ATOM 325 CG LYS A 666 -12.067 -4.826 2.920 1.00 0.00 C ATOM 326 CD LYS A 666 -12.267 -4.267 4.319 1.00 0.00 C ATOM 327 CE LYS A 666 -13.384 -4.992 5.055 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.680 -4.895 4.329 1.00 0.00 N ATOM 0 H LYS A 666 -10.361 -1.857 0.936 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.700 -3.464 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.993 -2.812 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.826 -4.025 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.015 -5.210 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.375 -5.667 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -11.339 -4.357 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -12.501 -3.204 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.115 -6.041 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.495 -4.570 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.463 -4.919 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.713 -4.003 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.770 -5.695 3.671 1.00 0.00 H new ATOM 342 N MET A 667 -9.577 -5.188 0.226 1.00 0.00 N ATOM 343 CA MET A 667 -8.994 -6.371 -0.396 1.00 0.00 C ATOM 344 C MET A 667 -7.479 -6.387 -0.221 1.00 0.00 C ATOM 345 O MET A 667 -6.901 -7.397 0.185 1.00 0.00 O ATOM 346 CB MET A 667 -9.348 -6.418 -1.884 1.00 0.00 C ATOM 347 CG MET A 667 -10.743 -6.955 -2.160 1.00 0.00 C ATOM 348 SD MET A 667 -10.865 -7.784 -3.757 1.00 0.00 S ATOM 349 CE MET A 667 -10.714 -6.391 -4.873 1.00 0.00 C ATOM 0 H MET A 667 -10.168 -4.634 -0.393 1.00 0.00 H new ATOM 0 HA MET A 667 -9.408 -7.251 0.097 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.265 -5.414 -2.301 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.619 -7.040 -2.403 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.022 -7.653 -1.371 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.458 -6.133 -2.126 1.00 0.00 H new ATOM 0 HE1 MET A 667 -11.672 -6.210 -5.361 1.00 0.00 H new ATOM 0 HE2 MET A 667 -10.420 -5.505 -4.311 1.00 0.00 H new ATOM 0 HE3 MET A 667 -9.958 -6.609 -5.627 1.00 0.00 H new ATOM 359 N LEU A 668 -6.840 -5.264 -0.530 1.00 0.00 N ATOM 360 CA LEU A 668 -5.391 -5.149 -0.407 1.00 0.00 C ATOM 361 C LEU A 668 -4.918 -5.656 0.952 1.00 0.00 C ATOM 362 O LEU A 668 -3.958 -6.422 1.041 1.00 0.00 O ATOM 363 CB LEU A 668 -4.957 -3.695 -0.600 1.00 0.00 C ATOM 364 CG LEU A 668 -3.563 -3.336 -0.084 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.492 -4.024 -0.916 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.362 -1.828 -0.094 1.00 0.00 C ATOM 0 H LEU A 668 -7.303 -4.420 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 668 -4.935 -5.764 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.000 -3.462 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.683 -3.051 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.476 -3.687 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.507 -3.757 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.623 -5.104 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.577 -3.705 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.365 -1.591 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.469 -1.453 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -4.108 -1.357 0.546 1.00 0.00 H new ATOM 378 N LYS A 669 -5.600 -5.227 2.008 1.00 0.00 N ATOM 379 CA LYS A 669 -5.253 -5.640 3.363 1.00 0.00 C ATOM 380 C LYS A 669 -5.480 -7.136 3.551 1.00 0.00 C ATOM 381 O LYS A 669 -4.528 -7.914 3.619 1.00 0.00 O ATOM 382 CB LYS A 669 -6.079 -4.856 4.385 1.00 0.00 C ATOM 383 CG LYS A 669 -6.081 -5.477 5.771 1.00 0.00 C ATOM 384 CD LYS A 669 -6.996 -4.720 6.719 1.00 0.00 C ATOM 385 CE LYS A 669 -6.399 -3.379 7.118 1.00 0.00 C ATOM 386 NZ LYS A 669 -7.094 -2.792 8.297 1.00 0.00 N ATOM 0 H LYS A 669 -6.397 -4.593 1.952 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.195 -5.428 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.690 -3.840 4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.106 -4.781 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.403 -6.516 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -5.067 -5.483 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -7.964 -4.561 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.174 -5.320 7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.341 -3.506 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.463 -2.688 6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.658 -1.879 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -8.099 -2.647 8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -7.011 -3.439 9.107 1.00 0.00 H new ATOM 400 N ASP A 670 -6.745 -7.532 3.632 1.00 0.00 N ATOM 401 CA ASP A 670 -7.097 -8.936 3.809 1.00 0.00 C ATOM 402 C ASP A 670 -6.342 -9.815 2.817 1.00 0.00 C ATOM 403 O ASP A 670 -6.143 -11.007 3.053 1.00 0.00 O ATOM 404 CB ASP A 670 -8.604 -9.132 3.638 1.00 0.00 C ATOM 405 CG ASP A 670 -8.995 -10.596 3.580 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.558 -11.362 4.464 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.739 -10.974 2.652 1.00 0.00 O ATOM 0 H ASP A 670 -7.544 -6.901 3.578 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.812 -9.231 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.126 -8.652 4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.931 -8.635 2.724 1.00 0.00 H new ATOM 412 N LYS A 671 -5.924 -9.219 1.705 1.00 0.00 N ATOM 413 CA LYS A 671 -5.190 -9.946 0.676 1.00 0.00 C ATOM 414 C LYS A 671 -3.791 -10.311 1.161 1.00 0.00 C ATOM 415 O LYS A 671 -3.316 -11.424 0.936 1.00 0.00 O ATOM 416 CB LYS A 671 -5.097 -9.108 -0.601 1.00 0.00 C ATOM 417 CG LYS A 671 -4.134 -9.674 -1.631 1.00 0.00 C ATOM 418 CD LYS A 671 -4.545 -11.069 -2.071 1.00 0.00 C ATOM 419 CE LYS A 671 -5.705 -11.024 -3.054 1.00 0.00 C ATOM 420 NZ LYS A 671 -7.019 -10.937 -2.358 1.00 0.00 N ATOM 0 H LYS A 671 -6.081 -8.234 1.494 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.732 -10.867 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.088 -9.030 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.784 -8.097 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.098 -9.014 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.128 -9.705 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -3.695 -11.571 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -4.828 -11.658 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -5.587 -10.166 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -5.684 -11.915 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -7.667 -11.650 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -6.886 -11.111 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -7.423 -9.989 -2.496 1.00 0.00 H new ATOM 434 N PHE A 672 -3.136 -9.367 1.828 1.00 0.00 N ATOM 435 CA PHE A 672 -1.790 -9.590 2.345 1.00 0.00 C ATOM 436 C PHE A 672 -1.839 -10.227 3.731 1.00 0.00 C ATOM 437 O PHE A 672 -0.842 -10.761 4.215 1.00 0.00 O ATOM 438 CB PHE A 672 -1.019 -8.269 2.405 1.00 0.00 C ATOM 439 CG PHE A 672 -0.287 -7.944 1.135 1.00 0.00 C ATOM 440 CD1 PHE A 672 -0.933 -7.298 0.093 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.047 -8.284 0.982 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.262 -6.999 -1.077 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.724 -7.987 -0.186 1.00 0.00 C ATOM 444 CZ PHE A 672 1.069 -7.342 -1.216 1.00 0.00 C ATOM 0 H PHE A 672 -3.515 -8.440 2.023 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.276 -10.273 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.715 -7.461 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.304 -8.312 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -1.973 -7.025 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.565 -8.787 1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -0.778 -6.497 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.764 -8.259 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.596 -7.106 -2.129 1.00 0.00 H new ATOM 454 N ASN A 673 -3.006 -10.166 4.363 1.00 0.00 N ATOM 455 CA ASN A 673 -3.186 -10.736 5.693 1.00 0.00 C ATOM 456 C ASN A 673 -2.659 -12.167 5.748 1.00 0.00 C ATOM 457 O ASN A 673 -2.065 -12.582 6.742 1.00 0.00 O ATOM 458 CB ASN A 673 -4.664 -10.710 6.087 1.00 0.00 C ATOM 459 CG ASN A 673 -5.048 -9.430 6.804 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.714 -8.293 6.205 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.639 -9.464 7.884 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.841 -9.728 3.976 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.618 -10.131 6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.278 -10.821 5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -4.881 -11.563 6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -5.876 -10.361 8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -5.892 -8.595 8.355 1.00 0.00 H new ATOM 468 N GLU A 674 -2.881 -12.915 4.672 1.00 0.00 N ATOM 469 CA GLU A 674 -2.429 -14.299 4.598 1.00 0.00 C ATOM 470 C GLU A 674 -1.048 -14.455 5.228 1.00 0.00 C ATOM 471 O GLU A 674 -0.801 -15.396 5.983 1.00 0.00 O ATOM 472 CB GLU A 674 -2.393 -14.770 3.142 1.00 0.00 C ATOM 473 CG GLU A 674 -3.758 -14.789 2.475 1.00 0.00 C ATOM 474 CD GLU A 674 -3.763 -15.576 1.179 1.00 0.00 C ATOM 475 OE1 GLU A 674 -3.135 -15.115 0.203 1.00 0.00 O ATOM 476 OE2 GLU A 674 -4.395 -16.653 1.140 1.00 0.00 O ATOM 0 H GLU A 674 -3.371 -12.586 3.840 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.135 -14.915 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -1.729 -14.118 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -1.965 -15.772 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.487 -15.221 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.075 -13.765 2.275 1.00 0.00 H new ATOM 483 N CYS A 675 -0.152 -13.526 4.912 1.00 0.00 N ATOM 484 CA CYS A 675 1.205 -13.560 5.446 1.00 0.00 C ATOM 485 C CYS A 675 1.204 -13.305 6.950 1.00 0.00 C ATOM 486 O CYS A 675 1.580 -14.172 7.737 1.00 0.00 O ATOM 487 CB CYS A 675 2.079 -12.521 4.741 1.00 0.00 C ATOM 488 SG CYS A 675 3.854 -12.842 4.866 1.00 0.00 S ATOM 0 H CYS A 675 -0.341 -12.741 4.289 1.00 0.00 H new ATOM 0 HA CYS A 675 1.616 -14.553 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.801 -12.483 3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 675 1.868 -11.538 5.162 1.00 0.00 H new ATOM 0 HG CYS A 675 4.484 -11.724 5.075 1.00 0.00 H new ATOM 494 N GLY A 676 0.781 -12.107 7.341 1.00 0.00 N ATOM 495 CA GLY A 676 0.741 -11.758 8.749 1.00 0.00 C ATOM 496 C GLY A 676 -0.377 -10.787 9.075 1.00 0.00 C ATOM 497 O GLY A 676 -1.349 -10.674 8.327 1.00 0.00 O ATOM 0 H GLY A 676 0.465 -11.372 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.615 -12.664 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.696 -11.318 9.038 1.00 0.00 H new ATOM 501 N HIS A 677 -0.241 -10.085 10.195 1.00 0.00 N ATOM 502 CA HIS A 677 -1.249 -9.119 10.619 1.00 0.00 C ATOM 503 C HIS A 677 -0.991 -7.753 9.991 1.00 0.00 C ATOM 504 O HIS A 677 -0.053 -7.051 10.369 1.00 0.00 O ATOM 505 CB HIS A 677 -1.261 -8.998 12.143 1.00 0.00 C ATOM 506 CG HIS A 677 -2.157 -7.911 12.651 1.00 0.00 C ATOM 507 ND1 HIS A 677 -3.152 -8.128 13.581 1.00 0.00 N ATOM 508 CD2 HIS A 677 -2.202 -6.591 12.354 1.00 0.00 C ATOM 509 CE1 HIS A 677 -3.772 -6.989 13.833 1.00 0.00 C ATOM 510 NE2 HIS A 677 -3.215 -6.040 13.102 1.00 0.00 N ATOM 0 H HIS A 677 0.557 -10.167 10.825 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.222 -9.476 10.283 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.578 -9.949 12.572 1.00 0.00 H new ATOM 0 HB3 HIS A 677 -0.245 -8.813 12.492 1.00 0.00 H new ATOM 0 HD1 HIS A 677 -3.374 -9.027 14.008 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -1.561 -6.068 11.659 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.595 -6.856 14.520 1.00 0.00 H new ATOM 519 N VAL A 678 -1.829 -7.382 9.028 1.00 0.00 N ATOM 520 CA VAL A 678 -1.691 -6.100 8.347 1.00 0.00 C ATOM 521 C VAL A 678 -2.299 -4.972 9.172 1.00 0.00 C ATOM 522 O VAL A 678 -3.326 -5.151 9.829 1.00 0.00 O ATOM 523 CB VAL A 678 -2.362 -6.126 6.960 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.403 -4.729 6.360 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.636 -7.092 6.036 1.00 0.00 C ATOM 0 H VAL A 678 -2.610 -7.951 8.702 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.623 -5.921 8.223 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.388 -6.474 7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.880 -4.767 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.971 -4.068 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.387 -4.349 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.123 -7.098 5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.599 -6.776 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.665 -8.095 6.462 1.00 0.00 H new ATOM 535 N LEU A 679 -1.660 -3.808 9.134 1.00 0.00 N ATOM 536 CA LEU A 679 -2.137 -2.648 9.879 1.00 0.00 C ATOM 537 C LEU A 679 -2.540 -1.522 8.932 1.00 0.00 C ATOM 538 O LEU A 679 -3.704 -1.121 8.887 1.00 0.00 O ATOM 539 CB LEU A 679 -1.057 -2.156 10.844 1.00 0.00 C ATOM 540 CG LEU A 679 -0.486 -3.203 11.801 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.802 -2.700 12.435 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.507 -3.557 12.873 1.00 0.00 C ATOM 0 H LEU A 679 -0.810 -3.642 8.595 1.00 0.00 H new ATOM 0 HA LEU A 679 -3.015 -2.950 10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.236 -1.742 10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.471 -1.339 11.435 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.259 -4.104 11.231 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.194 -3.458 13.113 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.536 -2.496 11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.600 -1.785 12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -1.084 -4.303 13.546 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.765 -2.662 13.440 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.404 -3.959 12.402 1.00 0.00 H new ATOM 554 N TYR A 680 -1.572 -1.016 8.176 1.00 0.00 N ATOM 555 CA TYR A 680 -1.825 0.064 7.230 1.00 0.00 C ATOM 556 C TYR A 680 -1.971 -0.478 5.811 1.00 0.00 C ATOM 557 O TYR A 680 -1.124 -1.231 5.332 1.00 0.00 O ATOM 558 CB TYR A 680 -0.693 1.091 7.282 1.00 0.00 C ATOM 559 CG TYR A 680 -0.768 2.130 6.185 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.978 2.716 5.837 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.373 2.526 5.498 1.00 0.00 C ATOM 562 CE1 TYR A 680 -2.051 3.664 4.836 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.310 3.475 4.496 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.904 4.041 4.168 1.00 0.00 C ATOM 565 OH TYR A 680 -0.972 4.986 3.171 1.00 0.00 O ATOM 0 H TYR A 680 -0.604 -1.337 8.200 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.760 0.549 7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.714 1.593 8.249 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.262 0.570 7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.878 2.425 6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.325 2.084 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -3.001 4.108 4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.207 3.772 3.972 1.00 0.00 H new ATOM 0 HH TYR A 680 -0.077 5.139 2.803 1.00 0.00 H new ATOM 575 N ALA A 681 -3.052 -0.087 5.144 1.00 0.00 N ATOM 576 CA ALA A 681 -3.309 -0.530 3.779 1.00 0.00 C ATOM 577 C ALA A 681 -4.213 0.454 3.044 1.00 0.00 C ATOM 578 O ALA A 681 -5.317 0.755 3.497 1.00 0.00 O ATOM 579 CB ALA A 681 -3.930 -1.919 3.783 1.00 0.00 C ATOM 0 H ALA A 681 -3.764 0.535 5.527 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.356 -0.572 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.117 -2.237 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.248 -2.621 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.871 -1.895 4.332 1.00 0.00 H new ATOM 585 N ASP A 682 -3.737 0.951 1.908 1.00 0.00 N ATOM 586 CA ASP A 682 -4.503 1.901 1.109 1.00 0.00 C ATOM 587 C ASP A 682 -4.120 1.805 -0.365 1.00 0.00 C ATOM 588 O ASP A 682 -3.019 1.368 -0.703 1.00 0.00 O ATOM 589 CB ASP A 682 -4.276 3.326 1.616 1.00 0.00 C ATOM 590 CG ASP A 682 -5.374 4.277 1.182 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.532 4.078 1.604 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.075 5.220 0.418 1.00 0.00 O ATOM 0 H ASP A 682 -2.825 0.712 1.519 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.560 1.652 1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.217 3.316 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.317 3.691 1.248 1.00 0.00 H new ATOM 597 N ILE A 683 -5.035 2.216 -1.236 1.00 0.00 N ATOM 598 CA ILE A 683 -4.793 2.176 -2.673 1.00 0.00 C ATOM 599 C ILE A 683 -4.513 3.571 -3.222 1.00 0.00 C ATOM 600 O ILE A 683 -5.417 4.399 -3.333 1.00 0.00 O ATOM 601 CB ILE A 683 -5.989 1.569 -3.429 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.311 0.176 -2.884 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.696 1.505 -4.921 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.299 -0.877 -3.281 1.00 0.00 C ATOM 0 H ILE A 683 -5.950 2.580 -0.972 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.918 1.545 -2.828 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.858 2.208 -3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.366 0.224 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.296 -0.126 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.551 1.074 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.511 2.510 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.816 0.885 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.591 -1.839 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.260 -0.953 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.316 -0.598 -2.902 1.00 0.00 H new ATOM 616 N LYS A 684 -3.255 3.824 -3.567 1.00 0.00 N ATOM 617 CA LYS A 684 -2.855 5.117 -4.109 1.00 0.00 C ATOM 618 C LYS A 684 -3.703 5.485 -5.322 1.00 0.00 C ATOM 619 O LYS A 684 -3.957 4.650 -6.189 1.00 0.00 O ATOM 620 CB LYS A 684 -1.375 5.095 -4.495 1.00 0.00 C ATOM 621 CG LYS A 684 -0.447 4.777 -3.335 1.00 0.00 C ATOM 622 CD LYS A 684 -0.345 5.944 -2.367 1.00 0.00 C ATOM 623 CE LYS A 684 0.576 5.622 -1.201 1.00 0.00 C ATOM 624 NZ LYS A 684 0.039 4.516 -0.359 1.00 0.00 N ATOM 0 H LYS A 684 -2.494 3.150 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 684 -3.012 5.871 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -1.225 4.356 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -1.103 6.065 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.812 3.896 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.544 4.532 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 684 0.026 6.823 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.337 6.193 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 684 1.559 5.345 -1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.711 6.513 -0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 0.486 4.546 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 -0.990 4.626 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 0.246 3.603 -0.812 1.00 0.00 H new ATOM 724 N LYS A 691 -4.015 3.811 -9.555 1.00 0.00 N ATOM 725 CA LYS A 691 -2.731 3.596 -10.213 1.00 0.00 C ATOM 726 C LYS A 691 -2.255 2.160 -10.020 1.00 0.00 C ATOM 727 O LYS A 691 -1.075 1.858 -10.197 1.00 0.00 O ATOM 728 CB LYS A 691 -1.685 4.570 -9.666 1.00 0.00 C ATOM 729 CG LYS A 691 -1.854 5.992 -10.172 1.00 0.00 C ATOM 730 CD LYS A 691 -1.419 6.123 -11.621 1.00 0.00 C ATOM 731 CE LYS A 691 0.060 6.460 -11.731 1.00 0.00 C ATOM 732 NZ LYS A 691 0.563 6.303 -13.124 1.00 0.00 N ATOM 0 HA LYS A 691 -2.863 3.776 -11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.737 4.572 -8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.691 4.213 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -2.898 6.292 -10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.269 6.672 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -1.621 5.191 -12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -2.007 6.899 -12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 691 0.224 7.485 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 691 0.630 5.813 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 1.575 6.542 -13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 0.430 5.319 -13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 0.036 6.938 -13.757 1.00 0.00 H new ATOM 746 N GLY A 692 -3.181 1.277 -9.656 1.00 0.00 N ATOM 747 CA GLY A 692 -2.835 -0.117 -9.447 1.00 0.00 C ATOM 748 C GLY A 692 -1.611 -0.285 -8.568 1.00 0.00 C ATOM 749 O GLY A 692 -0.905 -1.290 -8.662 1.00 0.00 O ATOM 0 H GLY A 692 -4.164 1.502 -9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.680 -0.633 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.654 -0.592 -10.411 1.00 0.00 H new ATOM 753 N CYS A 693 -1.358 0.700 -7.714 1.00 0.00 N ATOM 754 CA CYS A 693 -0.209 0.658 -6.817 1.00 0.00 C ATOM 755 C CYS A 693 -0.606 1.081 -5.406 1.00 0.00 C ATOM 756 O CYS A 693 -1.258 2.107 -5.214 1.00 0.00 O ATOM 757 CB CYS A 693 0.906 1.564 -7.339 1.00 0.00 C ATOM 758 SG CYS A 693 0.390 3.271 -7.642 1.00 0.00 S ATOM 0 H CYS A 693 -1.933 1.538 -7.624 1.00 0.00 H new ATOM 0 HA CYS A 693 0.155 -0.369 -6.781 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.725 1.566 -6.620 1.00 0.00 H new ATOM 0 HB3 CYS A 693 1.297 1.144 -8.266 1.00 0.00 H new ATOM 0 HG CYS A 693 1.402 3.959 -8.079 1.00 0.00 H new ATOM 764 N GLY A 694 -0.208 0.282 -4.420 1.00 0.00 N ATOM 765 CA GLY A 694 -0.532 0.590 -3.039 1.00 0.00 C ATOM 766 C GLY A 694 0.586 0.220 -2.085 1.00 0.00 C ATOM 767 O GLY A 694 1.717 -0.021 -2.506 1.00 0.00 O ATOM 0 H GLY A 694 0.333 -0.573 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -0.746 1.655 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.439 0.057 -2.754 1.00 0.00 H new ATOM 771 N VAL A 695 0.269 0.175 -0.795 1.00 0.00 N ATOM 772 CA VAL A 695 1.256 -0.169 0.223 1.00 0.00 C ATOM 773 C VAL A 695 0.649 -1.065 1.296 1.00 0.00 C ATOM 774 O VAL A 695 -0.570 -1.120 1.459 1.00 0.00 O ATOM 775 CB VAL A 695 1.836 1.093 0.890 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.698 1.869 -0.094 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.718 1.967 1.437 1.00 0.00 C ATOM 0 H VAL A 695 -0.663 0.372 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 695 2.059 -0.706 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 695 2.467 0.785 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 695 3.099 2.757 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.520 1.239 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 695 2.093 2.168 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.145 2.854 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 695 0.060 2.268 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.147 1.406 2.177 1.00 0.00 H new ATOM 787 N VAL A 696 1.509 -1.767 2.029 1.00 0.00 N ATOM 788 CA VAL A 696 1.058 -2.660 3.089 1.00 0.00 C ATOM 789 C VAL A 696 2.057 -2.694 4.240 1.00 0.00 C ATOM 790 O VAL A 696 3.190 -3.149 4.081 1.00 0.00 O ATOM 791 CB VAL A 696 0.847 -4.093 2.564 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.537 -5.042 3.711 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.262 -4.120 1.523 1.00 0.00 C ATOM 0 H VAL A 696 2.521 -1.734 1.907 1.00 0.00 H new ATOM 0 HA VAL A 696 0.106 -2.269 3.449 1.00 0.00 H new ATOM 0 HB VAL A 696 1.769 -4.427 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.391 -6.049 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.368 -5.043 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.370 -4.715 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.398 -5.140 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.191 -3.767 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.007 -3.473 0.688 1.00 0.00 H new ATOM 803 N LYS A 697 1.629 -2.211 5.402 1.00 0.00 N ATOM 804 CA LYS A 697 2.484 -2.188 6.583 1.00 0.00 C ATOM 805 C LYS A 697 2.214 -3.396 7.474 1.00 0.00 C ATOM 806 O LYS A 697 1.064 -3.782 7.683 1.00 0.00 O ATOM 807 CB LYS A 697 2.260 -0.897 7.374 1.00 0.00 C ATOM 808 CG LYS A 697 3.443 -0.503 8.242 1.00 0.00 C ATOM 809 CD LYS A 697 3.027 0.447 9.352 1.00 0.00 C ATOM 810 CE LYS A 697 4.084 0.526 10.443 1.00 0.00 C ATOM 811 NZ LYS A 697 3.649 1.391 11.575 1.00 0.00 N ATOM 0 H LYS A 697 0.695 -1.830 5.551 1.00 0.00 H new ATOM 0 HA LYS A 697 3.521 -2.229 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.045 -0.087 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.380 -1.016 8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 697 3.891 -1.397 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.207 -0.031 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 697 2.856 1.440 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.082 0.114 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.299 -0.476 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 697 5.011 0.916 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 4.396 1.419 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 3.468 2.354 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 2.778 1.005 11.992 1.00 0.00 H new ATOM 825 N PHE A 698 3.282 -3.988 7.999 1.00 0.00 N ATOM 826 CA PHE A 698 3.160 -5.152 8.869 1.00 0.00 C ATOM 827 C PHE A 698 3.677 -4.841 10.270 1.00 0.00 C ATOM 828 O PHE A 698 4.374 -3.848 10.479 1.00 0.00 O ATOM 829 CB PHE A 698 3.929 -6.337 8.281 1.00 0.00 C ATOM 830 CG PHE A 698 3.330 -6.870 7.011 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.721 -6.367 5.780 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.376 -7.874 7.047 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.172 -6.855 4.610 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.823 -8.366 5.880 1.00 0.00 C ATOM 835 CZ PHE A 698 2.221 -7.855 4.660 1.00 0.00 C ATOM 0 H PHE A 698 4.241 -3.681 7.837 1.00 0.00 H new ATOM 0 HA PHE A 698 2.104 -5.412 8.940 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.958 -6.033 8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.967 -7.138 9.020 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.464 -5.584 5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 698 2.061 -8.277 7.998 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.486 -6.455 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 698 1.080 -9.149 5.922 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.789 -8.237 3.747 1.00 0.00 H new ATOM 845 N GLU A 699 3.330 -5.697 11.226 1.00 0.00 N ATOM 846 CA GLU A 699 3.758 -5.512 12.608 1.00 0.00 C ATOM 847 C GLU A 699 5.253 -5.784 12.756 1.00 0.00 C ATOM 848 O GLU A 699 5.961 -5.057 13.453 1.00 0.00 O ATOM 849 CB GLU A 699 2.967 -6.433 13.538 1.00 0.00 C ATOM 850 CG GLU A 699 1.544 -5.965 13.792 1.00 0.00 C ATOM 851 CD GLU A 699 0.894 -6.681 14.960 1.00 0.00 C ATOM 852 OE1 GLU A 699 1.109 -7.903 15.100 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.170 -6.020 15.733 1.00 0.00 O ATOM 0 H GLU A 699 2.754 -6.524 11.069 1.00 0.00 H new ATOM 0 HA GLU A 699 3.565 -4.476 12.885 1.00 0.00 H new ATOM 0 HB2 GLU A 699 2.940 -7.434 13.107 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.491 -6.510 14.491 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.547 -4.892 13.985 1.00 0.00 H new ATOM 0 HG3 GLU A 699 0.947 -6.126 12.894 1.00 0.00 H new ATOM 860 N SER A 700 5.725 -6.836 12.095 1.00 0.00 N ATOM 861 CA SER A 700 7.134 -7.207 12.155 1.00 0.00 C ATOM 862 C SER A 700 7.801 -7.032 10.794 1.00 0.00 C ATOM 863 O SER A 700 7.174 -7.173 9.744 1.00 0.00 O ATOM 864 CB SER A 700 7.281 -8.655 12.626 1.00 0.00 C ATOM 865 OG SER A 700 7.289 -8.734 14.041 1.00 0.00 O ATOM 0 H SER A 700 5.153 -7.446 11.512 1.00 0.00 H new ATOM 0 HA SER A 700 7.628 -6.548 12.869 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.461 -9.254 12.230 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.205 -9.077 12.230 1.00 0.00 H new ATOM 0 HG SER A 700 7.382 -9.670 14.316 1.00 0.00 H new ATOM 871 N PRO A 701 9.104 -6.717 10.812 1.00 0.00 N ATOM 872 CA PRO A 701 9.886 -6.516 9.588 1.00 0.00 C ATOM 873 C PRO A 701 10.110 -7.816 8.823 1.00 0.00 C ATOM 874 O PRO A 701 10.164 -7.822 7.594 1.00 0.00 O ATOM 875 CB PRO A 701 11.217 -5.964 10.105 1.00 0.00 C ATOM 876 CG PRO A 701 11.323 -6.474 11.501 1.00 0.00 C ATOM 877 CD PRO A 701 9.916 -6.534 12.027 1.00 0.00 C ATOM 0 HA PRO A 701 9.379 -5.856 8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 701 12.052 -6.307 9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.230 -4.874 10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.790 -7.459 11.522 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.940 -5.815 12.112 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.784 -7.359 12.727 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.646 -5.621 12.557 1.00 0.00 H new ATOM 885 N GLU A 702 10.239 -8.916 9.559 1.00 0.00 N ATOM 886 CA GLU A 702 10.457 -10.222 8.947 1.00 0.00 C ATOM 887 C GLU A 702 9.281 -10.608 8.055 1.00 0.00 C ATOM 888 O GLU A 702 9.467 -11.128 6.954 1.00 0.00 O ATOM 889 CB GLU A 702 10.664 -11.287 10.027 1.00 0.00 C ATOM 890 CG GLU A 702 9.508 -11.391 11.008 1.00 0.00 C ATOM 891 CD GLU A 702 9.627 -12.594 11.923 1.00 0.00 C ATOM 892 OE1 GLU A 702 10.459 -12.552 12.854 1.00 0.00 O ATOM 893 OE2 GLU A 702 8.887 -13.577 11.709 1.00 0.00 O ATOM 0 H GLU A 702 10.196 -8.929 10.578 1.00 0.00 H new ATOM 0 HA GLU A 702 11.353 -10.161 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 702 10.811 -12.255 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.578 -11.062 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.465 -10.484 11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.571 -11.451 10.455 1.00 0.00 H new ATOM 900 N VAL A 703 8.070 -10.350 8.538 1.00 0.00 N ATOM 901 CA VAL A 703 6.863 -10.670 7.785 1.00 0.00 C ATOM 902 C VAL A 703 6.890 -10.025 6.403 1.00 0.00 C ATOM 903 O VAL A 703 6.848 -10.714 5.385 1.00 0.00 O ATOM 904 CB VAL A 703 5.597 -10.207 8.530 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.360 -10.434 7.675 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.472 -10.927 9.865 1.00 0.00 C ATOM 0 H VAL A 703 7.899 -9.920 9.447 1.00 0.00 H new ATOM 0 HA VAL A 703 6.836 -11.754 7.677 1.00 0.00 H new ATOM 0 HB VAL A 703 5.682 -9.138 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.476 -10.101 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.450 -9.869 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.266 -11.495 7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.572 -10.588 10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.409 -12.002 9.694 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.345 -10.708 10.480 1.00 0.00 H new ATOM 916 N ALA A 704 6.961 -8.698 6.377 1.00 0.00 N ATOM 917 CA ALA A 704 6.997 -7.960 5.121 1.00 0.00 C ATOM 918 C ALA A 704 7.853 -8.681 4.085 1.00 0.00 C ATOM 919 O ALA A 704 7.362 -9.075 3.027 1.00 0.00 O ATOM 920 CB ALA A 704 7.520 -6.550 5.352 1.00 0.00 C ATOM 0 H ALA A 704 6.995 -8.113 7.212 1.00 0.00 H new ATOM 0 HA ALA A 704 5.980 -7.899 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.541 -6.010 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.866 -6.029 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.528 -6.599 5.765 1.00 0.00 H new ATOM 926 N GLU A 705 9.135 -8.848 4.396 1.00 0.00 N ATOM 927 CA GLU A 705 10.058 -9.520 3.489 1.00 0.00 C ATOM 928 C GLU A 705 9.428 -10.782 2.907 1.00 0.00 C ATOM 929 O GLU A 705 9.582 -11.076 1.722 1.00 0.00 O ATOM 930 CB GLU A 705 11.356 -9.875 4.218 1.00 0.00 C ATOM 931 CG GLU A 705 12.298 -8.696 4.393 1.00 0.00 C ATOM 932 CD GLU A 705 13.752 -9.117 4.471 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.263 -9.670 3.474 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.379 -8.895 5.528 1.00 0.00 O ATOM 0 H GLU A 705 9.557 -8.528 5.268 1.00 0.00 H new ATOM 0 HA GLU A 705 10.284 -8.837 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.112 -10.283 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 705 11.870 -10.661 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.168 -8.005 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.031 -8.154 5.301 1.00 0.00 H new ATOM 941 N ARG A 706 8.718 -11.525 3.750 1.00 0.00 N ATOM 942 CA ARG A 706 8.065 -12.756 3.321 1.00 0.00 C ATOM 943 C ARG A 706 6.938 -12.459 2.337 1.00 0.00 C ATOM 944 O ARG A 706 6.950 -12.934 1.202 1.00 0.00 O ATOM 945 CB ARG A 706 7.515 -13.515 4.529 1.00 0.00 C ATOM 946 CG ARG A 706 7.211 -14.976 4.244 1.00 0.00 C ATOM 947 CD ARG A 706 6.269 -15.563 5.284 1.00 0.00 C ATOM 948 NE ARG A 706 6.476 -16.998 5.463 1.00 0.00 N ATOM 949 CZ ARG A 706 5.552 -17.818 5.949 1.00 0.00 C ATOM 950 NH1 ARG A 706 4.364 -17.349 6.303 1.00 0.00 N ATOM 951 NH2 ARG A 706 5.815 -19.112 6.082 1.00 0.00 N ATOM 0 H ARG A 706 8.580 -11.296 4.734 1.00 0.00 H new ATOM 0 HA ARG A 706 8.808 -13.376 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.236 -13.455 5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.605 -13.024 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.765 -15.069 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.140 -15.546 4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 706 6.418 -15.054 6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.237 -15.380 4.983 1.00 0.00 H new ATOM 0 HE ARG A 706 7.380 -17.391 5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 706 4.157 -16.355 6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 706 3.656 -17.982 6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 706 6.728 -19.477 5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 706 5.104 -19.741 6.456 1.00 0.00 H new ATOM 965 N ALA A 707 5.964 -11.670 2.780 1.00 0.00 N ATOM 966 CA ALA A 707 4.830 -11.309 1.939 1.00 0.00 C ATOM 967 C ALA A 707 5.292 -10.884 0.549 1.00 0.00 C ATOM 968 O ALA A 707 4.707 -11.283 -0.459 1.00 0.00 O ATOM 969 CB ALA A 707 4.022 -10.197 2.591 1.00 0.00 C ATOM 0 H ALA A 707 5.938 -11.269 3.717 1.00 0.00 H new ATOM 0 HA ALA A 707 4.195 -12.188 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.178 -9.938 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.653 -10.535 3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.655 -9.321 2.730 1.00 0.00 H new ATOM 975 N CYS A 708 6.342 -10.072 0.502 1.00 0.00 N ATOM 976 CA CYS A 708 6.881 -9.591 -0.765 1.00 0.00 C ATOM 977 C CYS A 708 7.123 -10.750 -1.728 1.00 0.00 C ATOM 978 O CYS A 708 6.845 -10.646 -2.922 1.00 0.00 O ATOM 979 CB CYS A 708 8.184 -8.826 -0.532 1.00 0.00 C ATOM 980 SG CYS A 708 7.958 -7.055 -0.243 1.00 0.00 S ATOM 0 H CYS A 708 6.837 -9.733 1.327 1.00 0.00 H new ATOM 0 HA CYS A 708 6.148 -8.918 -1.211 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.700 -9.260 0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.833 -8.962 -1.397 1.00 0.00 H new ATOM 0 HG CYS A 708 8.906 -6.617 0.531 1.00 0.00 H new ATOM 986 N ARG A 709 7.644 -11.852 -1.199 1.00 0.00 N ATOM 987 CA ARG A 709 7.927 -13.029 -2.011 1.00 0.00 C ATOM 988 C ARG A 709 6.668 -13.870 -2.207 1.00 0.00 C ATOM 989 O ARG A 709 6.445 -14.430 -3.279 1.00 0.00 O ATOM 990 CB ARG A 709 9.022 -13.875 -1.359 1.00 0.00 C ATOM 991 CG ARG A 709 10.425 -13.516 -1.819 1.00 0.00 C ATOM 992 CD ARG A 709 11.448 -13.745 -0.718 1.00 0.00 C ATOM 993 NE ARG A 709 12.766 -14.075 -1.255 1.00 0.00 N ATOM 994 CZ ARG A 709 13.073 -15.259 -1.772 1.00 0.00 C ATOM 995 NH1 ARG A 709 12.161 -16.221 -1.823 1.00 0.00 N ATOM 996 NH2 ARG A 709 14.293 -15.483 -2.241 1.00 0.00 N ATOM 0 H ARG A 709 7.879 -11.954 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 709 8.273 -12.690 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 709 8.963 -13.759 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 709 8.835 -14.926 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 709 10.687 -14.115 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.451 -12.472 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 709 11.522 -12.850 -0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.108 -14.553 -0.070 1.00 0.00 H new ATOM 0 HE ARG A 709 13.490 -13.357 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 709 11.221 -16.052 -1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 709 12.400 -17.129 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 709 14.997 -14.745 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 709 14.528 -16.393 -2.638 1.00 0.00 H new ATOM 1010 N MET A 710 5.850 -13.953 -1.163 1.00 0.00 N ATOM 1011 CA MET A 710 4.614 -14.724 -1.220 1.00 0.00 C ATOM 1012 C MET A 710 3.574 -14.020 -2.085 1.00 0.00 C ATOM 1013 O MET A 710 2.528 -14.587 -2.399 1.00 0.00 O ATOM 1014 CB MET A 710 4.059 -14.944 0.189 1.00 0.00 C ATOM 1015 CG MET A 710 4.632 -16.169 0.883 1.00 0.00 C ATOM 1016 SD MET A 710 3.474 -16.913 2.047 1.00 0.00 S ATOM 1017 CE MET A 710 2.917 -15.466 2.943 1.00 0.00 C ATOM 0 H MET A 710 6.021 -13.496 -0.267 1.00 0.00 H new ATOM 0 HA MET A 710 4.839 -15.692 -1.669 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.268 -14.062 0.795 1.00 0.00 H new ATOM 0 HB3 MET A 710 2.975 -15.042 0.132 1.00 0.00 H new ATOM 0 HG2 MET A 710 4.913 -16.909 0.133 1.00 0.00 H new ATOM 0 HG3 MET A 710 5.543 -15.889 1.412 1.00 0.00 H new ATOM 0 HE1 MET A 710 3.078 -15.615 4.011 1.00 0.00 H new ATOM 0 HE2 MET A 710 3.478 -14.593 2.610 1.00 0.00 H new ATOM 0 HE3 MET A 710 1.855 -15.308 2.755 1.00 0.00 H new ATOM 1027 N MET A 711 3.868 -12.781 -2.466 1.00 0.00 N ATOM 1028 CA MET A 711 2.957 -12.001 -3.295 1.00 0.00 C ATOM 1029 C MET A 711 3.626 -11.596 -4.605 1.00 0.00 C ATOM 1030 O MET A 711 2.980 -11.541 -5.651 1.00 0.00 O ATOM 1031 CB MET A 711 2.488 -10.754 -2.542 1.00 0.00 C ATOM 1032 CG MET A 711 1.687 -11.067 -1.288 1.00 0.00 C ATOM 1033 SD MET A 711 0.402 -12.298 -1.575 1.00 0.00 S ATOM 1034 CE MET A 711 -1.070 -11.338 -1.230 1.00 0.00 C ATOM 0 H MET A 711 4.729 -12.296 -2.214 1.00 0.00 H new ATOM 0 HA MET A 711 2.093 -12.624 -3.526 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.357 -10.156 -2.268 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.879 -10.144 -3.209 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.362 -11.426 -0.511 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.230 -10.150 -0.915 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.931 -11.809 -1.705 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.230 -11.292 -0.153 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.946 -10.329 -1.622 1.00 0.00 H new ATOM 1044 N ASN A 712 4.923 -11.314 -4.539 1.00 0.00 N ATOM 1045 CA ASN A 712 5.679 -10.913 -5.721 1.00 0.00 C ATOM 1046 C ASN A 712 5.272 -11.744 -6.934 1.00 0.00 C ATOM 1047 O ASN A 712 5.535 -12.944 -6.995 1.00 0.00 O ATOM 1048 CB ASN A 712 7.180 -11.063 -5.466 1.00 0.00 C ATOM 1049 CG ASN A 712 7.953 -11.377 -6.733 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.994 -12.652 -7.101 1.00 0.00 O flip ATOM 1051 ND2 ASN A 712 8.505 -10.482 -7.373 1.00 0.00 N flip ATOM 0 H ASN A 712 5.472 -11.356 -3.681 1.00 0.00 H new ATOM 0 HA ASN A 712 5.455 -9.867 -5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.565 -10.142 -5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.344 -11.857 -4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 712 8.447 -9.515 -7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.020 -10.707 -8.224 1.00 0.00 H new ATOM 1058 N GLY A 713 4.628 -11.095 -7.900 1.00 0.00 N ATOM 1059 CA GLY A 713 4.195 -11.788 -9.099 1.00 0.00 C ATOM 1060 C GLY A 713 2.854 -12.471 -8.922 1.00 0.00 C ATOM 1061 O GLY A 713 2.507 -13.379 -9.678 1.00 0.00 O ATOM 0 H GLY A 713 4.399 -10.101 -7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.131 -11.077 -9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 713 4.943 -12.530 -9.376 1.00 0.00 H new ATOM 1065 N MET A 714 2.098 -12.036 -7.919 1.00 0.00 N ATOM 1066 CA MET A 714 0.787 -12.613 -7.645 1.00 0.00 C ATOM 1067 C MET A 714 -0.207 -12.250 -8.744 1.00 0.00 C ATOM 1068 O MET A 714 -0.836 -11.193 -8.702 1.00 0.00 O ATOM 1069 CB MET A 714 0.266 -12.129 -6.290 1.00 0.00 C ATOM 1070 CG MET A 714 -1.134 -12.622 -5.966 1.00 0.00 C ATOM 1071 SD MET A 714 -1.594 -12.328 -4.247 1.00 0.00 S ATOM 1072 CE MET A 714 -1.859 -10.557 -4.266 1.00 0.00 C ATOM 0 H MET A 714 2.371 -11.287 -7.283 1.00 0.00 H new ATOM 0 HA MET A 714 0.893 -13.698 -7.619 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.949 -12.460 -5.508 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.271 -11.039 -6.276 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.850 -12.125 -6.620 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.197 -13.689 -6.177 1.00 0.00 H new ATOM 0 HE1 MET A 714 -1.140 -10.074 -3.604 1.00 0.00 H new ATOM 0 HE2 MET A 714 -1.727 -10.180 -5.280 1.00 0.00 H new ATOM 0 HE3 MET A 714 -2.871 -10.337 -3.926 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.344 -13.134 -9.727 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.261 -12.909 -10.837 1.00 0.00 C ATOM 1084 C LYS A 715 -2.653 -12.545 -10.328 1.00 0.00 C ATOM 1085 O LYS A 715 -3.435 -13.419 -9.952 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.340 -14.155 -11.722 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.349 -14.148 -12.872 1.00 0.00 C ATOM 1088 CD LYS A 715 -0.850 -13.306 -14.034 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.106 -13.632 -15.320 1.00 0.00 C ATOM 1090 NZ LYS A 715 -0.742 -14.756 -16.060 1.00 0.00 N ATOM 0 H LYS A 715 0.170 -14.014 -9.777 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.879 -12.076 -11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.165 -15.038 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.350 -14.241 -12.124 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.609 -13.759 -12.526 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.175 -15.170 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -1.917 -13.478 -14.176 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.726 -12.249 -13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 715 -0.078 -12.748 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 715 0.927 -13.890 -15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -0.205 -14.947 -16.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -0.746 -15.607 -15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -1.720 -14.501 -16.306 1.00 0.00 H new ATOM 1104 N LEU A 716 -2.955 -11.251 -10.318 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.253 -10.772 -9.857 1.00 0.00 C ATOM 1106 C LEU A 716 -5.172 -10.469 -11.035 1.00 0.00 C ATOM 1107 O LEU A 716 -4.788 -9.767 -11.970 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.079 -9.520 -8.996 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.542 -9.746 -7.582 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.007 -8.447 -7.000 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.626 -10.327 -6.686 1.00 0.00 C ATOM 0 H LEU A 716 -2.318 -10.515 -10.624 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.711 -11.558 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.405 -8.838 -9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.044 -9.018 -8.921 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.721 -10.461 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.629 -8.628 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.200 -8.072 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -3.808 -7.709 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.226 -10.481 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.468 -9.636 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -4.962 -11.281 -7.093 1.00 0.00 H new ATOM 1123 N SER A 717 -6.389 -11.002 -10.982 1.00 0.00 N ATOM 1124 CA SER A 717 -7.363 -10.791 -12.047 1.00 0.00 C ATOM 1125 C SER A 717 -6.680 -10.763 -13.411 1.00 0.00 C ATOM 1126 O SER A 717 -7.042 -9.973 -14.282 1.00 0.00 O ATOM 1127 CB SER A 717 -8.124 -9.483 -11.817 1.00 0.00 C ATOM 1128 OG SER A 717 -9.158 -9.321 -12.772 1.00 0.00 O ATOM 0 H SER A 717 -6.724 -11.583 -10.213 1.00 0.00 H new ATOM 0 HA SER A 717 -8.068 -11.622 -12.032 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.548 -9.477 -10.813 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.434 -8.641 -11.877 1.00 0.00 H new ATOM 0 HG SER A 717 -8.811 -9.520 -13.667 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.689 -11.631 -13.587 1.00 0.00 N ATOM 1135 CA GLY A 718 -4.970 -11.690 -14.847 1.00 0.00 C ATOM 1136 C GLY A 718 -3.977 -10.556 -15.001 1.00 0.00 C ATOM 1137 O GLY A 718 -3.790 -10.031 -16.099 1.00 0.00 O ATOM 0 H GLY A 718 -5.371 -12.294 -12.880 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.444 -12.642 -14.917 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.683 -11.659 -15.671 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.339 -10.177 -13.899 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.361 -9.095 -13.916 1.00 0.00 C ATOM 1143 C ARG A 719 -1.254 -9.347 -12.895 1.00 0.00 C ATOM 1144 O ARG A 719 -1.505 -9.383 -11.691 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.043 -7.757 -13.625 1.00 0.00 C ATOM 1146 CG ARG A 719 -3.575 -7.062 -14.868 1.00 0.00 C ATOM 1147 CD ARG A 719 -4.762 -6.169 -14.541 1.00 0.00 C ATOM 1148 NE ARG A 719 -4.957 -5.129 -15.547 1.00 0.00 N ATOM 1149 CZ ARG A 719 -5.761 -4.085 -15.379 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -6.441 -3.943 -14.249 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -5.886 -3.180 -16.341 1.00 0.00 N ATOM 0 H ARG A 719 -3.481 -10.603 -12.983 1.00 0.00 H new ATOM 0 HA ARG A 719 -1.914 -9.058 -14.910 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.867 -7.922 -12.931 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.333 -7.098 -13.126 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -2.783 -6.465 -15.320 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -3.872 -7.808 -15.605 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -5.664 -6.777 -14.468 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -4.610 -5.706 -13.566 1.00 0.00 H new ATOM 0 HE ARG A 719 -4.448 -5.208 -16.427 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -6.347 -4.636 -13.507 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -7.058 -3.141 -14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -5.364 -3.285 -17.211 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -6.504 -2.379 -16.210 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.031 -9.519 -13.387 1.00 0.00 N ATOM 1166 CA GLU A 720 1.112 -9.769 -12.517 1.00 0.00 C ATOM 1167 C GLU A 720 1.489 -8.511 -11.740 1.00 0.00 C ATOM 1168 O GLU A 720 1.767 -7.465 -12.327 1.00 0.00 O ATOM 1169 CB GLU A 720 2.310 -10.251 -13.338 1.00 0.00 C ATOM 1170 CG GLU A 720 2.333 -11.755 -13.555 1.00 0.00 C ATOM 1171 CD GLU A 720 3.280 -12.170 -14.664 1.00 0.00 C ATOM 1172 OE1 GLU A 720 3.537 -11.344 -15.564 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.763 -13.321 -14.632 1.00 0.00 O ATOM 0 H GLU A 720 0.193 -9.490 -14.382 1.00 0.00 H new ATOM 0 HA GLU A 720 0.831 -10.546 -11.805 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.300 -9.753 -14.307 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.229 -9.951 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.627 -12.248 -12.628 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.327 -12.099 -13.794 1.00 0.00 H new ATOM 1180 N ILE A 721 1.495 -8.621 -10.415 1.00 0.00 N ATOM 1181 CA ILE A 721 1.838 -7.493 -9.557 1.00 0.00 C ATOM 1182 C ILE A 721 3.287 -7.577 -9.092 1.00 0.00 C ATOM 1183 O ILE A 721 3.879 -8.656 -9.064 1.00 0.00 O ATOM 1184 CB ILE A 721 0.918 -7.424 -8.324 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.148 -8.637 -7.421 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.540 -7.347 -8.754 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.668 -8.433 -6.001 1.00 0.00 C ATOM 0 H ILE A 721 1.266 -9.479 -9.913 1.00 0.00 H new ATOM 0 HA ILE A 721 1.702 -6.590 -10.153 1.00 0.00 H new ATOM 0 HB ILE A 721 1.159 -6.523 -7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.637 -9.500 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.212 -8.872 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.178 -7.299 -7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.694 -6.455 -9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.794 -8.232 -9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.863 -9.333 -5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 721 1.197 -7.590 -5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.403 -8.228 -6.005 1.00 0.00 H new ATOM 1199 N ASP A 722 3.853 -6.432 -8.726 1.00 0.00 N ATOM 1200 CA ASP A 722 5.233 -6.375 -8.259 1.00 0.00 C ATOM 1201 C ASP A 722 5.295 -5.923 -6.804 1.00 0.00 C ATOM 1202 O ASP A 722 5.053 -4.756 -6.494 1.00 0.00 O ATOM 1203 CB ASP A 722 6.053 -5.428 -9.136 1.00 0.00 C ATOM 1204 CG ASP A 722 7.438 -5.172 -8.575 1.00 0.00 C ATOM 1205 OD1 ASP A 722 7.541 -4.852 -7.372 1.00 0.00 O ATOM 1206 OD2 ASP A 722 8.418 -5.293 -9.339 1.00 0.00 O ATOM 0 H ASP A 722 3.377 -5.530 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 722 5.656 -7.377 -8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 722 6.142 -5.850 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 722 5.524 -4.480 -9.236 1.00 0.00 H new ATOM 1211 N VAL A 723 5.621 -6.854 -5.913 1.00 0.00 N ATOM 1212 CA VAL A 723 5.716 -6.551 -4.490 1.00 0.00 C ATOM 1213 C VAL A 723 7.168 -6.527 -4.028 1.00 0.00 C ATOM 1214 O VAL A 723 7.959 -7.399 -4.389 1.00 0.00 O ATOM 1215 CB VAL A 723 4.937 -7.576 -3.645 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.847 -7.117 -2.197 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.550 -7.803 -4.228 1.00 0.00 C ATOM 0 H VAL A 723 5.824 -7.825 -6.152 1.00 0.00 H new ATOM 0 HA VAL A 723 5.277 -5.564 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 723 5.475 -8.523 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.293 -7.854 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.851 -7.010 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.332 -6.157 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.014 -8.530 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.001 -6.862 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.641 -8.180 -5.247 1.00 0.00 H new ATOM 1227 N ARG A 724 7.513 -5.524 -3.228 1.00 0.00 N ATOM 1228 CA ARG A 724 8.871 -5.386 -2.717 1.00 0.00 C ATOM 1229 C ARG A 724 8.892 -4.531 -1.452 1.00 0.00 C ATOM 1230 O ARG A 724 7.915 -3.853 -1.133 1.00 0.00 O ATOM 1231 CB ARG A 724 9.778 -4.764 -3.780 1.00 0.00 C ATOM 1232 CG ARG A 724 9.355 -3.366 -4.200 1.00 0.00 C ATOM 1233 CD ARG A 724 9.833 -3.038 -5.606 1.00 0.00 C ATOM 1234 NE ARG A 724 9.909 -1.598 -5.836 1.00 0.00 N ATOM 1235 CZ ARG A 724 10.890 -0.831 -5.374 1.00 0.00 C ATOM 1236 NH1 ARG A 724 11.873 -1.364 -4.661 1.00 0.00 N ATOM 1237 NH2 ARG A 724 10.890 0.472 -5.625 1.00 0.00 N ATOM 0 H ARG A 724 6.870 -4.794 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 724 9.242 -6.381 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 724 10.798 -4.726 -3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 724 9.790 -5.410 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 724 8.269 -3.285 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.758 -2.636 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 724 10.815 -3.483 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 724 9.156 -3.486 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 724 9.168 -1.157 -6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 724 11.877 -2.365 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 724 12.625 -0.773 -4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 724 10.136 0.886 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 724 11.644 1.060 -5.270 1.00 0.00 H new ATOM 1251 N ILE A 725 10.011 -4.570 -0.737 1.00 0.00 N ATOM 1252 CA ILE A 725 10.160 -3.800 0.491 1.00 0.00 C ATOM 1253 C ILE A 725 10.058 -2.303 0.217 1.00 0.00 C ATOM 1254 O ILE A 725 10.609 -1.802 -0.763 1.00 0.00 O ATOM 1255 CB ILE A 725 11.505 -4.093 1.181 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.557 -5.550 1.647 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.715 -3.148 2.355 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.620 -5.851 2.796 1.00 0.00 C ATOM 0 H ILE A 725 10.828 -5.127 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 725 9.348 -4.103 1.153 1.00 0.00 H new ATOM 0 HB ILE A 725 12.308 -3.932 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.310 -6.200 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.577 -5.791 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.670 -3.368 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.716 -2.118 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.909 -3.280 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.710 -6.901 3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.880 -5.226 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.594 -5.643 2.493 1.00 0.00 H new ATOM 1270 N ASP A 726 9.350 -1.594 1.090 1.00 0.00 N ATOM 1271 CA ASP A 726 9.178 -0.154 0.944 1.00 0.00 C ATOM 1272 C ASP A 726 10.316 0.601 1.624 1.00 0.00 C ATOM 1273 O ASP A 726 10.206 0.994 2.786 1.00 0.00 O ATOM 1274 CB ASP A 726 7.835 0.283 1.532 1.00 0.00 C ATOM 1275 CG ASP A 726 7.412 1.657 1.051 1.00 0.00 C ATOM 1276 OD1 ASP A 726 7.920 2.100 -0.001 1.00 0.00 O ATOM 1277 OD2 ASP A 726 6.571 2.288 1.725 1.00 0.00 O ATOM 0 H ASP A 726 8.886 -1.994 1.906 1.00 0.00 H new ATOM 0 HA ASP A 726 9.194 0.083 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.070 -0.445 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 726 7.902 0.287 2.620 1.00 0.00 H new