USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 613 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 Single : A 688 SER OG : rot 170:sc= 0 USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 704 TYR OH : rot 130:sc= -0.539 USER MOD Single : A 709 SER OG : rot 180:sc= -0.248 USER MOD Single : A 711 ASN : amide:sc= -0.275 K(o=-0.27,f=1.1) USER MOD Single : A 714 SER OG : rot 180:sc= 0 USER MOD Single : A 715 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 718 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0316) USER MOD Single : A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 723 ASN : amide:sc= -3.16 X(o=-3.2,f=-3.2!) USER MOD Single : A 728 GLN : amide:sc= -0.335 X(o=-0.34,f=-0.49) USER MOD Single : A 735 MET CE :methyl 154:sc= -6.17! (180deg=-7.64!) USER MOD Single : A 736 LYS NZ :NH3+ 141:sc= -5.9! (180deg=-7.07!) USER MOD Single : A 738 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0139) USER MOD Single : A 741 SER OG : rot 50:sc= -0.267 USER MOD Single : A 742 SER OG : rot 180:sc= 0 USER MOD Single : A 745 THR OG1 : rot -17:sc= 0.648 USER MOD Single : A 747 SER OG : rot 81:sc= 0.733 USER MOD Single : A 748 GLN : amide:sc= -0.88 K(o=-0.88,f=-2.6!) USER MOD Single : A 749 THR OG1 : rot 180:sc= 0 USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 LYS NZ :NH3+ 165:sc= -0.045 (180deg=-0.408) USER MOD Single : A 756 MET CE :methyl -157:sc= 0 (180deg=-0.0696) USER MOD Single : A 759 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 685 -8.262 0.797 -10.298 1.00 0.00 N ATOM 2 CA GLY A 685 -7.366 1.680 -9.503 1.00 0.00 C ATOM 3 C GLY A 685 -6.318 2.363 -10.359 1.00 0.00 C ATOM 4 O GLY A 685 -5.236 1.818 -10.578 1.00 0.00 O ATOM 0 HA2 GLY A 685 -7.964 2.436 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 685 -6.872 1.091 -8.730 1.00 0.00 H new ATOM 8 N VAL A 686 -6.638 3.560 -10.843 1.00 0.00 N ATOM 9 CA VAL A 686 -5.714 4.316 -11.679 1.00 0.00 C ATOM 10 C VAL A 686 -4.470 4.706 -10.896 1.00 0.00 C ATOM 11 O VAL A 686 -3.386 4.867 -11.459 1.00 0.00 O ATOM 12 CB VAL A 686 -6.373 5.591 -12.238 1.00 0.00 C ATOM 13 CG1 VAL A 686 -5.463 6.266 -13.253 1.00 0.00 C ATOM 14 CG2 VAL A 686 -7.725 5.265 -12.854 1.00 0.00 C ATOM 0 H VAL A 686 -7.529 4.026 -10.670 1.00 0.00 H new ATOM 0 HA VAL A 686 -5.435 3.668 -12.510 1.00 0.00 H new ATOM 0 HB VAL A 686 -6.532 6.286 -11.414 1.00 0.00 H new ATOM 0 HG11 VAL A 686 -5.948 7.164 -13.635 1.00 0.00 H new ATOM 0 HG12 VAL A 686 -4.522 6.537 -12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 686 -5.266 5.581 -14.078 1.00 0.00 H new ATOM 0 HG21 VAL A 686 -8.177 6.177 -13.244 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -7.592 4.550 -13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 686 -8.377 4.834 -12.094 1.00 0.00 H new ATOM 24 N GLU A 687 -4.637 4.851 -9.590 1.00 0.00 N ATOM 25 CA GLU A 687 -3.538 5.222 -8.712 1.00 0.00 C ATOM 26 C GLU A 687 -2.508 4.101 -8.646 1.00 0.00 C ATOM 27 O GLU A 687 -1.321 4.345 -8.429 1.00 0.00 O ATOM 28 CB GLU A 687 -4.062 5.543 -7.311 1.00 0.00 C ATOM 29 CG GLU A 687 -5.323 6.392 -7.318 1.00 0.00 C ATOM 30 CD GLU A 687 -5.164 7.668 -8.123 1.00 0.00 C ATOM 31 OE1 GLU A 687 -5.442 7.639 -9.340 1.00 0.00 O ATOM 32 OE2 GLU A 687 -4.762 8.694 -7.537 1.00 0.00 O ATOM 0 H GLU A 687 -5.528 4.716 -9.113 1.00 0.00 H new ATOM 0 HA GLU A 687 -3.057 6.112 -9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 687 -4.264 4.610 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 687 -3.285 6.064 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 687 -6.147 5.808 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 687 -5.592 6.645 -6.292 1.00 0.00 H new ATOM 39 N SER A 688 -2.971 2.870 -8.841 1.00 0.00 N ATOM 40 CA SER A 688 -2.089 1.710 -8.811 1.00 0.00 C ATOM 41 C SER A 688 -1.364 1.553 -10.141 1.00 0.00 C ATOM 42 O SER A 688 -0.283 0.974 -10.199 1.00 0.00 O ATOM 43 CB SER A 688 -2.873 0.437 -8.501 1.00 0.00 C ATOM 44 OG SER A 688 -3.655 0.589 -7.328 1.00 0.00 O ATOM 0 H SER A 688 -3.951 2.651 -9.021 1.00 0.00 H new ATOM 0 HA SER A 688 -1.355 1.871 -8.022 1.00 0.00 H new ATOM 0 HB2 SER A 688 -3.520 0.191 -9.343 1.00 0.00 H new ATOM 0 HB3 SER A 688 -2.182 -0.397 -8.375 1.00 0.00 H new ATOM 0 HG SER A 688 -4.265 -0.173 -7.241 1.00 0.00 H new ATOM 50 N ALA A 689 -1.978 2.054 -11.211 1.00 0.00 N ATOM 51 CA ALA A 689 -1.383 1.971 -12.541 1.00 0.00 C ATOM 52 C ALA A 689 0.003 2.605 -12.556 1.00 0.00 C ATOM 53 O ALA A 689 0.989 1.953 -12.901 1.00 0.00 O ATOM 54 CB ALA A 689 -2.286 2.636 -13.569 1.00 0.00 C ATOM 0 H ALA A 689 -2.885 2.520 -11.182 1.00 0.00 H new ATOM 0 HA ALA A 689 -1.277 0.918 -12.802 1.00 0.00 H new ATOM 0 HB1 ALA A 689 -1.828 2.565 -14.556 1.00 0.00 H new ATOM 0 HB2 ALA A 689 -3.254 2.135 -13.582 1.00 0.00 H new ATOM 0 HB3 ALA A 689 -2.424 3.685 -13.307 1.00 0.00 H new ATOM 60 N VAL A 690 0.071 3.881 -12.182 1.00 0.00 N ATOM 61 CA VAL A 690 1.341 4.596 -12.139 1.00 0.00 C ATOM 62 C VAL A 690 2.333 3.870 -11.239 1.00 0.00 C ATOM 63 O VAL A 690 3.476 3.621 -11.621 1.00 0.00 O ATOM 64 CB VAL A 690 1.164 6.036 -11.621 1.00 0.00 C ATOM 65 CG1 VAL A 690 0.396 6.882 -12.622 1.00 0.00 C ATOM 66 CG2 VAL A 690 0.466 6.036 -10.268 1.00 0.00 C ATOM 0 H VAL A 690 -0.737 4.438 -11.905 1.00 0.00 H new ATOM 0 HA VAL A 690 1.722 4.633 -13.160 1.00 0.00 H new ATOM 0 HB VAL A 690 2.153 6.476 -11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 690 0.284 7.894 -12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 690 0.941 6.914 -13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 690 -0.589 6.446 -12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 690 0.350 7.062 -9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 690 -0.516 5.572 -10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 690 1.063 5.474 -9.550 1.00 0.00 H new ATOM 76 N LEU A 691 1.876 3.537 -10.039 1.00 0.00 N ATOM 77 CA LEU A 691 2.693 2.834 -9.065 1.00 0.00 C ATOM 78 C LEU A 691 3.099 1.461 -9.594 1.00 0.00 C ATOM 79 O LEU A 691 4.131 0.913 -9.207 1.00 0.00 O ATOM 80 CB LEU A 691 1.920 2.695 -7.753 1.00 0.00 C ATOM 81 CG LEU A 691 2.190 3.783 -6.708 1.00 0.00 C ATOM 82 CD1 LEU A 691 1.605 5.116 -7.147 1.00 0.00 C ATOM 83 CD2 LEU A 691 1.621 3.374 -5.358 1.00 0.00 C ATOM 0 H LEU A 691 0.931 3.747 -9.716 1.00 0.00 H new ATOM 0 HA LEU A 691 3.602 3.408 -8.885 1.00 0.00 H new ATOM 0 HB2 LEU A 691 0.854 2.690 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 691 2.157 1.726 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 691 3.269 3.901 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 691 1.810 5.871 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 691 2.057 5.418 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 691 0.527 5.015 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 691 1.821 4.157 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 691 0.545 3.226 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 691 2.089 2.445 -5.032 1.00 0.00 H new ATOM 95 N ARG A 692 2.275 0.926 -10.491 1.00 0.00 N ATOM 96 CA ARG A 692 2.514 -0.378 -11.108 1.00 0.00 C ATOM 97 C ARG A 692 2.910 -1.439 -10.082 1.00 0.00 C ATOM 98 O ARG A 692 4.084 -1.574 -9.736 1.00 0.00 O ATOM 99 CB ARG A 692 3.598 -0.268 -12.183 1.00 0.00 C ATOM 100 CG ARG A 692 3.799 -1.552 -12.971 1.00 0.00 C ATOM 101 CD ARG A 692 4.867 -1.394 -14.040 1.00 0.00 C ATOM 102 NE ARG A 692 5.035 -2.616 -14.824 1.00 0.00 N ATOM 103 CZ ARG A 692 6.107 -2.878 -15.566 1.00 0.00 C ATOM 104 NH1 ARG A 692 7.107 -2.008 -15.628 1.00 0.00 N ATOM 105 NH2 ARG A 692 6.181 -4.014 -16.246 1.00 0.00 N ATOM 0 H ARG A 692 1.422 1.384 -10.812 1.00 0.00 H new ATOM 0 HA ARG A 692 1.575 -0.692 -11.565 1.00 0.00 H new ATOM 0 HB2 ARG A 692 3.336 0.535 -12.872 1.00 0.00 H new ATOM 0 HB3 ARG A 692 4.540 0.011 -11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 692 4.081 -2.356 -12.291 1.00 0.00 H new ATOM 0 HG3 ARG A 692 2.858 -1.844 -13.437 1.00 0.00 H new ATOM 0 HD2 ARG A 692 4.599 -0.571 -14.703 1.00 0.00 H new ATOM 0 HD3 ARG A 692 5.815 -1.130 -13.571 1.00 0.00 H new ATOM 0 HE ARG A 692 4.286 -3.308 -14.801 1.00 0.00 H new ATOM 0 HH11 ARG A 692 7.056 -1.134 -15.105 1.00 0.00 H new ATOM 0 HH12 ARG A 692 7.927 -2.214 -16.199 1.00 0.00 H new ATOM 0 HH21 ARG A 692 5.416 -4.687 -16.200 1.00 0.00 H new ATOM 0 HH22 ARG A 692 7.003 -4.215 -16.815 1.00 0.00 H new ATOM 119 N GLY A 693 1.925 -2.196 -9.604 1.00 0.00 N ATOM 120 CA GLY A 693 2.203 -3.247 -8.641 1.00 0.00 C ATOM 121 C GLY A 693 1.605 -2.987 -7.270 1.00 0.00 C ATOM 122 O GLY A 693 2.041 -3.580 -6.283 1.00 0.00 O ATOM 0 H GLY A 693 0.944 -2.101 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 693 1.816 -4.191 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 693 3.282 -3.362 -8.542 1.00 0.00 H new ATOM 126 N PHE A 694 0.615 -2.101 -7.198 1.00 0.00 N ATOM 127 CA PHE A 694 -0.026 -1.792 -5.924 1.00 0.00 C ATOM 128 C PHE A 694 -1.547 -1.878 -6.013 1.00 0.00 C ATOM 129 O PHE A 694 -2.111 -2.092 -7.085 1.00 0.00 O ATOM 130 CB PHE A 694 0.387 -0.404 -5.447 1.00 0.00 C ATOM 131 CG PHE A 694 1.847 -0.300 -5.129 1.00 0.00 C ATOM 132 CD1 PHE A 694 2.770 -0.093 -6.134 1.00 0.00 C ATOM 133 CD2 PHE A 694 2.295 -0.398 -3.825 1.00 0.00 C ATOM 134 CE1 PHE A 694 4.113 0.017 -5.850 1.00 0.00 C ATOM 135 CE2 PHE A 694 3.637 -0.294 -3.533 1.00 0.00 C ATOM 136 CZ PHE A 694 4.546 -0.086 -4.543 1.00 0.00 C ATOM 0 H PHE A 694 0.243 -1.589 -7.998 1.00 0.00 H new ATOM 0 HA PHE A 694 0.308 -2.539 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 694 0.136 0.327 -6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 694 -0.191 -0.145 -4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 694 2.434 -0.016 -7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 694 1.585 -0.558 -3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 694 4.824 0.183 -6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 694 3.975 -0.376 -2.511 1.00 0.00 H new ATOM 0 HZ PHE A 694 5.598 -0.003 -4.314 1.00 0.00 H new ATOM 146 N LEU A 695 -2.197 -1.720 -4.866 1.00 0.00 N ATOM 147 CA LEU A 695 -3.651 -1.771 -4.780 1.00 0.00 C ATOM 148 C LEU A 695 -4.189 -0.497 -4.152 1.00 0.00 C ATOM 149 O LEU A 695 -3.448 0.239 -3.504 1.00 0.00 O ATOM 150 CB LEU A 695 -4.086 -2.965 -3.937 1.00 0.00 C ATOM 151 CG LEU A 695 -4.624 -4.162 -4.716 1.00 0.00 C ATOM 152 CD1 LEU A 695 -4.903 -5.321 -3.775 1.00 0.00 C ATOM 153 CD2 LEU A 695 -5.884 -3.783 -5.477 1.00 0.00 C ATOM 0 H LEU A 695 -1.733 -1.554 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 695 -4.050 -1.872 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 695 -3.235 -3.295 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 695 -4.855 -2.633 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 695 -3.868 -4.472 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 695 -5.286 -6.168 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 695 -3.981 -5.610 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 695 -5.642 -5.018 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 695 -6.252 -4.650 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 695 -6.647 -3.448 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 695 -5.658 -2.979 -6.178 1.00 0.00 H new ATOM 165 N ILE A 696 -5.482 -0.246 -4.320 1.00 0.00 N ATOM 166 CA ILE A 696 -6.083 0.951 -3.754 1.00 0.00 C ATOM 167 C ILE A 696 -6.532 0.708 -2.320 1.00 0.00 C ATOM 168 O ILE A 696 -7.564 0.082 -2.078 1.00 0.00 O ATOM 169 CB ILE A 696 -7.286 1.433 -4.589 1.00 0.00 C ATOM 170 CG1 ILE A 696 -6.884 1.620 -6.055 1.00 0.00 C ATOM 171 CG2 ILE A 696 -7.840 2.732 -4.020 1.00 0.00 C ATOM 172 CD1 ILE A 696 -5.799 2.658 -6.262 1.00 0.00 C ATOM 0 H ILE A 696 -6.125 -0.847 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 696 -5.317 1.726 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 696 -8.065 0.672 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 696 -6.541 0.665 -6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 696 -7.764 1.908 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 696 -8.689 3.059 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 696 -8.164 2.570 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 696 -7.065 3.498 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 696 -5.567 2.735 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 696 -6.145 3.624 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 696 -4.903 2.362 -5.716 1.00 0.00 H new ATOM 184 N LEU A 697 -5.752 1.216 -1.371 1.00 0.00 N ATOM 185 CA LEU A 697 -6.071 1.065 0.042 1.00 0.00 C ATOM 186 C LEU A 697 -6.952 2.225 0.490 1.00 0.00 C ATOM 187 O LEU A 697 -8.172 2.164 0.360 1.00 0.00 O ATOM 188 CB LEU A 697 -4.783 0.986 0.871 1.00 0.00 C ATOM 189 CG LEU A 697 -4.895 0.305 2.240 1.00 0.00 C ATOM 190 CD1 LEU A 697 -5.679 1.172 3.205 1.00 0.00 C ATOM 191 CD2 LEU A 697 -5.537 -1.068 2.116 1.00 0.00 C ATOM 0 H LEU A 697 -4.894 1.736 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 697 -6.620 0.136 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 697 -4.032 0.455 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 697 -4.412 1.999 1.023 1.00 0.00 H new ATOM 0 HG LEU A 697 -3.887 0.173 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 697 -5.747 0.671 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 697 -5.173 2.129 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 697 -6.682 1.340 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 697 -5.604 -1.529 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 697 -6.537 -0.965 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 697 -4.931 -1.696 1.463 1.00 0.00 H new ATOM 203 N GLY A 698 -6.336 3.280 1.007 1.00 0.00 N ATOM 204 CA GLY A 698 -7.110 4.435 1.432 1.00 0.00 C ATOM 205 C GLY A 698 -6.322 5.443 2.247 1.00 0.00 C ATOM 206 O GLY A 698 -5.114 5.306 2.419 1.00 0.00 O ATOM 0 H GLY A 698 -5.328 3.359 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 698 -7.514 4.933 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 698 -7.960 4.092 2.022 1.00 0.00 H new ATOM 210 N LYS A 699 -7.020 6.464 2.742 1.00 0.00 N ATOM 211 CA LYS A 699 -6.405 7.514 3.553 1.00 0.00 C ATOM 212 C LYS A 699 -6.669 7.261 5.031 1.00 0.00 C ATOM 213 O LYS A 699 -7.413 7.991 5.687 1.00 0.00 O ATOM 214 CB LYS A 699 -6.940 8.890 3.145 1.00 0.00 C ATOM 215 CG LYS A 699 -8.451 8.935 2.986 1.00 0.00 C ATOM 216 CD LYS A 699 -8.914 10.273 2.433 1.00 0.00 C ATOM 217 CE LYS A 699 -10.431 10.381 2.430 1.00 0.00 C ATOM 218 NZ LYS A 699 -10.895 11.682 1.874 1.00 0.00 N ATOM 0 H LYS A 699 -8.022 6.587 2.594 1.00 0.00 H new ATOM 0 HA LYS A 699 -5.329 7.498 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.640 9.623 3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -6.475 9.187 2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -8.772 8.134 2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -8.925 8.756 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -8.492 11.081 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -8.537 10.398 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -10.852 9.565 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -10.805 10.267 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -11.934 11.715 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -10.515 12.461 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -10.560 11.780 0.894 1.00 0.00 H new ATOM 232 N GLU A 700 -6.048 6.208 5.537 1.00 0.00 N ATOM 233 CA GLU A 700 -6.194 5.803 6.925 1.00 0.00 C ATOM 234 C GLU A 700 -4.970 5.027 7.364 1.00 0.00 C ATOM 235 O GLU A 700 -3.936 5.079 6.713 1.00 0.00 O ATOM 236 CB GLU A 700 -7.441 4.944 7.114 1.00 0.00 C ATOM 237 CG GLU A 700 -7.464 3.712 6.225 1.00 0.00 C ATOM 238 CD GLU A 700 -8.627 2.790 6.533 1.00 0.00 C ATOM 239 OE1 GLU A 700 -8.495 1.955 7.452 1.00 0.00 O ATOM 240 OE2 GLU A 700 -9.671 2.905 5.856 1.00 0.00 O ATOM 0 H GLU A 700 -5.426 5.608 4.995 1.00 0.00 H new ATOM 0 HA GLU A 700 -6.297 6.701 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 700 -7.504 4.632 8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 700 -8.324 5.548 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 700 -7.519 4.023 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 700 -6.529 3.164 6.346 1.00 0.00 H new ATOM 247 N ASP A 701 -5.061 4.367 8.504 1.00 0.00 N ATOM 248 CA ASP A 701 -3.947 3.567 8.988 1.00 0.00 C ATOM 249 C ASP A 701 -2.687 4.419 9.078 1.00 0.00 C ATOM 250 O ASP A 701 -1.606 4.011 8.650 1.00 0.00 O ATOM 251 CB ASP A 701 -3.732 2.372 8.048 1.00 0.00 C ATOM 252 CG ASP A 701 -2.853 1.297 8.657 1.00 0.00 C ATOM 253 OD1 ASP A 701 -1.957 1.639 9.458 1.00 0.00 O ATOM 254 OD2 ASP A 701 -3.068 0.108 8.340 1.00 0.00 O ATOM 0 H ASP A 701 -5.884 4.367 9.107 1.00 0.00 H new ATOM 0 HA ASP A 701 -4.174 3.194 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 701 -4.699 1.941 7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 701 -3.280 2.722 7.120 1.00 0.00 H new ATOM 259 N ARG A 702 -2.843 5.613 9.638 1.00 0.00 N ATOM 260 CA ARG A 702 -1.732 6.540 9.796 1.00 0.00 C ATOM 261 C ARG A 702 -0.691 5.967 10.750 1.00 0.00 C ATOM 262 O ARG A 702 0.393 6.527 10.916 1.00 0.00 O ATOM 263 CB ARG A 702 -2.234 7.894 10.310 1.00 0.00 C ATOM 264 CG ARG A 702 -3.161 8.615 9.339 1.00 0.00 C ATOM 265 CD ARG A 702 -4.568 8.031 9.350 1.00 0.00 C ATOM 266 NE ARG A 702 -5.202 8.151 10.661 1.00 0.00 N ATOM 267 CZ ARG A 702 -6.421 7.696 10.936 1.00 0.00 C ATOM 268 NH1 ARG A 702 -7.133 7.083 9.999 1.00 0.00 N ATOM 269 NH2 ARG A 702 -6.930 7.851 12.151 1.00 0.00 N ATOM 0 H ARG A 702 -3.734 5.962 9.992 1.00 0.00 H new ATOM 0 HA ARG A 702 -1.266 6.688 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 702 -2.758 7.742 11.253 1.00 0.00 H new ATOM 0 HB3 ARG A 702 -1.376 8.533 10.521 1.00 0.00 H new ATOM 0 HG2 ARG A 702 -3.206 9.673 9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 702 -2.750 8.551 8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 702 -5.178 8.541 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 702 -4.526 6.980 9.063 1.00 0.00 H new ATOM 0 HE ARG A 702 -4.680 8.610 11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 702 -6.746 6.959 9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 702 -8.068 6.736 10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 702 -6.386 8.320 12.876 1.00 0.00 H new ATOM 0 HH22 ARG A 702 -7.865 7.502 12.361 1.00 0.00 H new ATOM 283 N ARG A 703 -1.034 4.845 11.378 1.00 0.00 N ATOM 284 CA ARG A 703 -0.147 4.177 12.308 1.00 0.00 C ATOM 285 C ARG A 703 1.176 3.824 11.636 1.00 0.00 C ATOM 286 O ARG A 703 2.196 3.653 12.304 1.00 0.00 O ATOM 287 CB ARG A 703 -0.824 2.915 12.833 1.00 0.00 C ATOM 288 CG ARG A 703 -2.217 3.157 13.386 1.00 0.00 C ATOM 289 CD ARG A 703 -2.164 3.854 14.733 1.00 0.00 C ATOM 290 NE ARG A 703 -1.365 3.108 15.701 1.00 0.00 N ATOM 291 CZ ARG A 703 -1.625 3.074 17.005 1.00 0.00 C ATOM 292 NH1 ARG A 703 -2.659 3.745 17.497 1.00 0.00 N ATOM 293 NH2 ARG A 703 -0.853 2.366 17.818 1.00 0.00 N ATOM 0 H ARG A 703 -1.933 4.380 11.253 1.00 0.00 H new ATOM 0 HA ARG A 703 0.066 4.850 13.139 1.00 0.00 H new ATOM 0 HB2 ARG A 703 -0.884 2.183 12.027 1.00 0.00 H new ATOM 0 HB3 ARG A 703 -0.203 2.478 13.615 1.00 0.00 H new ATOM 0 HG2 ARG A 703 -2.789 3.763 12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 703 -2.740 2.206 13.487 1.00 0.00 H new ATOM 0 HD2 ARG A 703 -1.745 4.852 14.609 1.00 0.00 H new ATOM 0 HD3 ARG A 703 -3.176 3.979 15.117 1.00 0.00 H new ATOM 0 HE ARG A 703 -0.561 2.583 15.357 1.00 0.00 H new ATOM 0 HH11 ARG A 703 -3.257 4.289 16.875 1.00 0.00 H new ATOM 0 HH12 ARG A 703 -2.856 3.717 18.497 1.00 0.00 H new ATOM 0 HH21 ARG A 703 -0.059 1.847 17.444 1.00 0.00 H new ATOM 0 HH22 ARG A 703 -1.053 2.341 18.818 1.00 0.00 H new ATOM 307 N TYR A 704 1.150 3.719 10.308 1.00 0.00 N ATOM 308 CA TYR A 704 2.351 3.392 9.548 1.00 0.00 C ATOM 309 C TYR A 704 3.329 4.561 9.567 1.00 0.00 C ATOM 310 O TYR A 704 4.542 4.369 9.665 1.00 0.00 O ATOM 311 CB TYR A 704 1.988 3.055 8.096 1.00 0.00 C ATOM 312 CG TYR A 704 1.442 1.659 7.899 1.00 0.00 C ATOM 313 CD1 TYR A 704 2.156 0.550 8.335 1.00 0.00 C ATOM 314 CD2 TYR A 704 0.222 1.444 7.261 1.00 0.00 C ATOM 315 CE1 TYR A 704 1.673 -0.729 8.145 1.00 0.00 C ATOM 316 CE2 TYR A 704 -0.266 0.169 7.070 1.00 0.00 C ATOM 317 CZ TYR A 704 0.464 -0.915 7.512 1.00 0.00 C ATOM 318 OH TYR A 704 -0.019 -2.190 7.324 1.00 0.00 O ATOM 0 H TYR A 704 0.314 3.855 9.740 1.00 0.00 H new ATOM 0 HA TYR A 704 2.821 2.525 10.012 1.00 0.00 H new ATOM 0 HB2 TYR A 704 1.250 3.775 7.742 1.00 0.00 H new ATOM 0 HB3 TYR A 704 2.875 3.177 7.474 1.00 0.00 H new ATOM 0 HD1 TYR A 704 3.105 0.691 8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 704 -0.351 2.290 6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 704 2.241 -1.580 8.491 1.00 0.00 H new ATOM 0 HE2 TYR A 704 -1.215 0.019 6.577 1.00 0.00 H new ATOM 0 HH TYR A 704 -0.947 -2.238 7.636 1.00 0.00 H new ATOM 328 N GLY A 705 2.782 5.772 9.481 1.00 0.00 N ATOM 329 CA GLY A 705 3.595 6.977 9.486 1.00 0.00 C ATOM 330 C GLY A 705 4.848 6.872 8.628 1.00 0.00 C ATOM 331 O GLY A 705 5.941 7.184 9.102 1.00 0.00 O ATOM 0 H GLY A 705 1.779 5.940 9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 705 2.992 7.813 9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 705 3.885 7.205 10.512 1.00 0.00 H new ATOM 335 N PRO A 706 4.732 6.433 7.358 1.00 0.00 N ATOM 336 CA PRO A 706 5.875 6.310 6.468 1.00 0.00 C ATOM 337 C PRO A 706 6.125 7.581 5.667 1.00 0.00 C ATOM 338 O PRO A 706 7.080 8.311 5.934 1.00 0.00 O ATOM 339 CB PRO A 706 5.464 5.157 5.557 1.00 0.00 C ATOM 340 CG PRO A 706 3.969 5.228 5.485 1.00 0.00 C ATOM 341 CD PRO A 706 3.489 6.013 6.688 1.00 0.00 C ATOM 0 HA PRO A 706 6.809 6.139 7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 706 5.911 5.258 4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 706 5.794 4.200 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 706 3.653 5.712 4.561 1.00 0.00 H new ATOM 0 HG3 PRO A 706 3.538 4.227 5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 706 2.886 6.871 6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 706 2.870 5.400 7.343 1.00 0.00 H new ATOM 349 N ALA A 707 5.265 7.840 4.685 1.00 0.00 N ATOM 350 CA ALA A 707 5.385 9.030 3.856 1.00 0.00 C ATOM 351 C ALA A 707 6.723 9.071 3.124 1.00 0.00 C ATOM 352 O ALA A 707 7.735 9.506 3.675 1.00 0.00 O ATOM 353 CB ALA A 707 5.204 10.272 4.711 1.00 0.00 C ATOM 0 H ALA A 707 4.477 7.238 4.446 1.00 0.00 H new ATOM 0 HA ALA A 707 4.602 8.999 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 707 5.295 11.160 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 707 4.218 10.254 5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 707 5.969 10.294 5.487 1.00 0.00 H new ATOM 359 N LEU A 708 6.716 8.612 1.878 1.00 0.00 N ATOM 360 CA LEU A 708 7.917 8.595 1.052 1.00 0.00 C ATOM 361 C LEU A 708 7.550 8.618 -0.429 1.00 0.00 C ATOM 362 O LEU A 708 6.405 8.896 -0.787 1.00 0.00 O ATOM 363 CB LEU A 708 8.791 7.376 1.373 1.00 0.00 C ATOM 364 CG LEU A 708 8.035 6.089 1.708 1.00 0.00 C ATOM 365 CD1 LEU A 708 7.053 5.741 0.604 1.00 0.00 C ATOM 366 CD2 LEU A 708 9.012 4.946 1.930 1.00 0.00 C ATOM 0 H LEU A 708 5.885 8.244 1.415 1.00 0.00 H new ATOM 0 HA LEU A 708 8.494 9.491 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 708 9.441 7.183 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 708 9.437 7.626 2.215 1.00 0.00 H new ATOM 0 HG LEU A 708 7.472 6.250 2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 708 6.526 4.823 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 708 6.334 6.552 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 708 7.593 5.598 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 708 8.460 4.037 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 708 9.599 4.788 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 708 9.678 5.192 2.757 1.00 0.00 H new ATOM 378 N SER A 709 8.522 8.326 -1.285 1.00 0.00 N ATOM 379 CA SER A 709 8.294 8.335 -2.725 1.00 0.00 C ATOM 380 C SER A 709 8.050 6.929 -3.268 1.00 0.00 C ATOM 381 O SER A 709 8.306 5.934 -2.588 1.00 0.00 O ATOM 382 CB SER A 709 9.487 8.972 -3.433 1.00 0.00 C ATOM 383 OG SER A 709 9.317 8.959 -4.839 1.00 0.00 O ATOM 0 H SER A 709 9.473 8.081 -1.008 1.00 0.00 H new ATOM 0 HA SER A 709 7.397 8.923 -2.919 1.00 0.00 H new ATOM 0 HB2 SER A 709 9.611 9.999 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 709 10.398 8.435 -3.170 1.00 0.00 H new ATOM 0 HG SER A 709 10.095 9.375 -5.266 1.00 0.00 H new ATOM 389 N ILE A 710 7.550 6.861 -4.499 1.00 0.00 N ATOM 390 CA ILE A 710 7.262 5.586 -5.150 1.00 0.00 C ATOM 391 C ILE A 710 8.538 4.811 -5.435 1.00 0.00 C ATOM 392 O ILE A 710 8.582 3.590 -5.290 1.00 0.00 O ATOM 393 CB ILE A 710 6.500 5.794 -6.477 1.00 0.00 C ATOM 394 CG1 ILE A 710 5.010 6.013 -6.214 1.00 0.00 C ATOM 395 CG2 ILE A 710 6.703 4.605 -7.407 1.00 0.00 C ATOM 396 CD1 ILE A 710 4.717 7.183 -5.302 1.00 0.00 C ATOM 0 H ILE A 710 7.335 7.679 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 710 6.639 5.015 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 710 6.901 6.684 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 710 4.502 6.170 -7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 710 4.591 5.108 -5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 710 6.158 4.772 -8.336 1.00 0.00 H new ATOM 0 HG22 ILE A 710 7.765 4.491 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 710 6.332 3.700 -6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 710 3.640 7.275 -5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 710 5.195 7.020 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 710 5.104 8.099 -5.749 1.00 0.00 H new ATOM 408 N ASN A 711 9.570 5.526 -5.861 1.00 0.00 N ATOM 409 CA ASN A 711 10.847 4.904 -6.170 1.00 0.00 C ATOM 410 C ASN A 711 11.329 4.058 -4.995 1.00 0.00 C ATOM 411 O ASN A 711 12.166 3.170 -5.151 1.00 0.00 O ATOM 412 CB ASN A 711 11.884 5.971 -6.521 1.00 0.00 C ATOM 413 CG ASN A 711 13.249 5.380 -6.817 1.00 0.00 C ATOM 414 OD1 ASN A 711 14.078 5.220 -5.923 1.00 0.00 O ATOM 415 ND2 ASN A 711 13.488 5.053 -8.082 1.00 0.00 N ATOM 0 H ASN A 711 9.547 6.536 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 711 10.715 4.250 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 711 11.540 6.535 -7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 711 11.969 6.676 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 711 14.389 4.652 -8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 711 12.771 5.203 -8.792 1.00 0.00 H new ATOM 422 N GLU A 712 10.782 4.348 -3.820 1.00 0.00 N ATOM 423 CA GLU A 712 11.130 3.627 -2.601 1.00 0.00 C ATOM 424 C GLU A 712 10.091 2.548 -2.326 1.00 0.00 C ATOM 425 O GLU A 712 10.377 1.524 -1.707 1.00 0.00 O ATOM 426 CB GLU A 712 11.195 4.601 -1.421 1.00 0.00 C ATOM 427 CG GLU A 712 11.613 6.003 -1.823 1.00 0.00 C ATOM 428 CD GLU A 712 13.030 6.059 -2.363 1.00 0.00 C ATOM 429 OE1 GLU A 712 13.976 6.036 -1.550 1.00 0.00 O ATOM 430 OE2 GLU A 712 13.190 6.125 -3.600 1.00 0.00 O ATOM 0 H GLU A 712 10.089 5.085 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 712 12.106 3.158 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 712 10.218 4.644 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 712 11.898 4.218 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 712 10.925 6.380 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 712 11.531 6.664 -0.960 1.00 0.00 H new ATOM 437 N LEU A 713 8.879 2.812 -2.795 1.00 0.00 N ATOM 438 CA LEU A 713 7.749 1.901 -2.637 1.00 0.00 C ATOM 439 C LEU A 713 8.066 0.492 -3.131 1.00 0.00 C ATOM 440 O LEU A 713 7.628 -0.493 -2.540 1.00 0.00 O ATOM 441 CB LEU A 713 6.550 2.453 -3.410 1.00 0.00 C ATOM 442 CG LEU A 713 5.320 2.809 -2.576 1.00 0.00 C ATOM 443 CD1 LEU A 713 5.713 3.587 -1.335 1.00 0.00 C ATOM 444 CD2 LEU A 713 4.352 3.626 -3.409 1.00 0.00 C ATOM 0 H LEU A 713 8.649 3.668 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 713 7.524 1.831 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 713 6.870 3.345 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 713 6.256 1.717 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 713 4.839 1.883 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 713 4.820 3.828 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 713 6.386 2.984 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 713 6.216 4.509 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 713 3.477 3.877 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.840 4.543 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 713 4.042 3.047 -4.279 1.00 0.00 H new ATOM 456 N SER A 714 8.819 0.400 -4.221 1.00 0.00 N ATOM 457 CA SER A 714 9.176 -0.894 -4.799 1.00 0.00 C ATOM 458 C SER A 714 9.975 -1.753 -3.820 1.00 0.00 C ATOM 459 O SER A 714 10.130 -2.958 -4.025 1.00 0.00 O ATOM 460 CB SER A 714 9.966 -0.694 -6.093 1.00 0.00 C ATOM 461 OG SER A 714 10.380 -1.936 -6.636 1.00 0.00 O ATOM 0 H SER A 714 9.195 1.204 -4.723 1.00 0.00 H new ATOM 0 HA SER A 714 8.249 -1.423 -5.020 1.00 0.00 H new ATOM 0 HB2 SER A 714 9.351 -0.163 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 714 10.838 -0.070 -5.897 1.00 0.00 H new ATOM 0 HG SER A 714 10.882 -1.780 -7.463 1.00 0.00 H new ATOM 467 N ASN A 715 10.482 -1.132 -2.760 1.00 0.00 N ATOM 468 CA ASN A 715 11.263 -1.847 -1.754 1.00 0.00 C ATOM 469 C ASN A 715 10.369 -2.362 -0.629 1.00 0.00 C ATOM 470 O ASN A 715 10.855 -2.879 0.377 1.00 0.00 O ATOM 471 CB ASN A 715 12.349 -0.935 -1.180 1.00 0.00 C ATOM 472 CG ASN A 715 13.269 -0.386 -2.253 1.00 0.00 C ATOM 473 OD1 ASN A 715 13.505 -1.032 -3.275 1.00 0.00 O ATOM 474 ND2 ASN A 715 13.795 0.812 -2.027 1.00 0.00 N ATOM 0 H ASN A 715 10.367 -0.136 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 715 11.733 -2.703 -2.238 1.00 0.00 H new ATOM 0 HB2 ASN A 715 11.881 -0.107 -0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 715 12.938 -1.490 -0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 715 14.421 1.232 -2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 715 13.573 1.313 -1.167 1.00 0.00 H new ATOM 481 N LEU A 716 9.059 -2.219 -0.809 1.00 0.00 N ATOM 482 CA LEU A 716 8.091 -2.664 0.189 1.00 0.00 C ATOM 483 C LEU A 716 7.861 -4.167 0.111 1.00 0.00 C ATOM 484 O LEU A 716 8.181 -4.806 -0.892 1.00 0.00 O ATOM 485 CB LEU A 716 6.765 -1.925 0.003 1.00 0.00 C ATOM 486 CG LEU A 716 6.788 -0.449 0.405 1.00 0.00 C ATOM 487 CD1 LEU A 716 5.627 0.301 -0.222 1.00 0.00 C ATOM 488 CD2 LEU A 716 6.748 -0.315 1.919 1.00 0.00 C ATOM 0 H LEU A 716 8.642 -1.797 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 716 8.499 -2.435 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 716 6.470 -1.997 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 716 5.997 -2.433 0.586 1.00 0.00 H new ATOM 0 HG LEU A 716 7.715 -0.009 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 716 5.665 1.348 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 716 5.694 0.233 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 716 4.687 -0.138 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 716 6.765 0.740 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 716 5.836 -0.774 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 716 7.614 -0.815 2.352 1.00 0.00 H new ATOM 500 N ALA A 717 7.299 -4.723 1.180 1.00 0.00 N ATOM 501 CA ALA A 717 7.016 -6.149 1.246 1.00 0.00 C ATOM 502 C ALA A 717 5.543 -6.422 0.975 1.00 0.00 C ATOM 503 O ALA A 717 4.679 -5.614 1.317 1.00 0.00 O ATOM 504 CB ALA A 717 7.413 -6.697 2.608 1.00 0.00 C ATOM 0 H ALA A 717 7.030 -4.203 2.015 1.00 0.00 H new ATOM 0 HA ALA A 717 7.602 -6.653 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 717 7.197 -7.765 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 717 8.479 -6.536 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 717 6.848 -6.184 3.386 1.00 0.00 H new ATOM 510 N LYS A 718 5.257 -7.566 0.365 1.00 0.00 N ATOM 511 CA LYS A 718 3.883 -7.926 0.047 1.00 0.00 C ATOM 512 C LYS A 718 3.056 -8.130 1.303 1.00 0.00 C ATOM 513 O LYS A 718 3.583 -8.472 2.362 1.00 0.00 O ATOM 514 CB LYS A 718 3.842 -9.166 -0.835 1.00 0.00 C ATOM 515 CG LYS A 718 4.123 -8.839 -2.285 1.00 0.00 C ATOM 516 CD LYS A 718 3.576 -9.897 -3.224 1.00 0.00 C ATOM 517 CE LYS A 718 3.600 -9.414 -4.663 1.00 0.00 C ATOM 518 NZ LYS A 718 4.984 -9.122 -5.129 1.00 0.00 N ATOM 0 H LYS A 718 5.954 -8.255 0.083 1.00 0.00 H new ATOM 0 HA LYS A 718 3.443 -7.096 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 718 4.575 -9.889 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 718 2.863 -9.637 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 718 3.681 -7.873 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 718 5.199 -8.744 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 718 4.166 -10.809 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 718 2.555 -10.149 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 718 3.152 -10.171 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 718 2.989 -8.516 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 4.970 -8.910 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 5.360 -8.303 -4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 5.590 -9.949 -4.956 1.00 0.00 H new ATOM 532 N GLY A 719 1.753 -7.915 1.173 1.00 0.00 N ATOM 533 CA GLY A 719 0.866 -8.053 2.305 1.00 0.00 C ATOM 534 C GLY A 719 0.943 -6.842 3.206 1.00 0.00 C ATOM 535 O GLY A 719 0.207 -6.733 4.186 1.00 0.00 O ATOM 0 H GLY A 719 1.297 -7.647 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -0.158 -8.185 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 719 1.128 -8.948 2.870 1.00 0.00 H new ATOM 539 N GLU A 720 1.845 -5.927 2.861 1.00 0.00 N ATOM 540 CA GLU A 720 2.039 -4.706 3.634 1.00 0.00 C ATOM 541 C GLU A 720 1.490 -3.491 2.901 1.00 0.00 C ATOM 542 O GLU A 720 1.104 -3.571 1.732 1.00 0.00 O ATOM 543 CB GLU A 720 3.518 -4.490 3.931 1.00 0.00 C ATOM 544 CG GLU A 720 4.160 -5.629 4.700 1.00 0.00 C ATOM 545 CD GLU A 720 3.519 -5.853 6.057 1.00 0.00 C ATOM 546 OE1 GLU A 720 2.524 -6.602 6.128 1.00 0.00 O ATOM 547 OE2 GLU A 720 4.015 -5.278 7.048 1.00 0.00 O ATOM 0 H GLU A 720 2.455 -6.010 2.048 1.00 0.00 H new ATOM 0 HA GLU A 720 1.493 -4.824 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 720 4.052 -4.352 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.634 -3.568 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 720 4.088 -6.545 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 720 5.221 -5.419 4.834 1.00 0.00 H new ATOM 554 N LYS A 721 1.455 -2.369 3.608 1.00 0.00 N ATOM 555 CA LYS A 721 0.961 -1.118 3.045 1.00 0.00 C ATOM 556 C LYS A 721 1.956 0.012 3.256 1.00 0.00 C ATOM 557 O LYS A 721 3.000 -0.176 3.883 1.00 0.00 O ATOM 558 CB LYS A 721 -0.371 -0.739 3.683 1.00 0.00 C ATOM 559 CG LYS A 721 -1.577 -1.372 3.014 1.00 0.00 C ATOM 560 CD LYS A 721 -2.614 -1.778 4.040 1.00 0.00 C ATOM 561 CE LYS A 721 -2.136 -2.973 4.853 1.00 0.00 C ATOM 562 NZ LYS A 721 -3.182 -3.458 5.798 1.00 0.00 N ATOM 0 H LYS A 721 1.764 -2.299 4.577 1.00 0.00 H new ATOM 0 HA LYS A 721 0.825 -1.270 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 721 -0.356 -1.031 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 721 -0.480 0.345 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 721 -2.016 -0.669 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 721 -1.264 -2.246 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 721 -2.820 -0.940 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 721 -3.550 -2.025 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 721 -1.854 -3.781 4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 721 -1.242 -2.697 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 -2.817 -4.272 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 -3.434 -2.695 6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 -4.026 -3.746 5.263 1.00 0.00 H new ATOM 576 N ALA A 722 1.626 1.190 2.733 1.00 0.00 N ATOM 577 CA ALA A 722 2.497 2.357 2.883 1.00 0.00 C ATOM 578 C ALA A 722 1.807 3.628 2.411 1.00 0.00 C ATOM 579 O ALA A 722 1.355 3.709 1.270 1.00 0.00 O ATOM 580 CB ALA A 722 3.797 2.150 2.119 1.00 0.00 C ATOM 0 H ALA A 722 0.770 1.363 2.206 1.00 0.00 H new ATOM 0 HA ALA A 722 2.722 2.470 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 722 4.434 3.026 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 722 4.311 1.271 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 722 3.578 2.004 1.061 1.00 0.00 H new ATOM 586 N ASN A 723 1.781 4.634 3.281 1.00 0.00 N ATOM 587 CA ASN A 723 1.138 5.909 2.977 1.00 0.00 C ATOM 588 C ASN A 723 1.954 6.741 2.000 1.00 0.00 C ATOM 589 O ASN A 723 3.076 7.150 2.295 1.00 0.00 O ATOM 590 CB ASN A 723 0.903 6.702 4.263 1.00 0.00 C ATOM 591 CG ASN A 723 -0.084 6.021 5.190 1.00 0.00 C ATOM 592 OD1 ASN A 723 -1.281 6.306 5.160 1.00 0.00 O ATOM 593 ND2 ASN A 723 0.414 5.110 6.018 1.00 0.00 N ATOM 0 H ASN A 723 2.201 4.590 4.209 1.00 0.00 H new ATOM 0 HA ASN A 723 0.182 5.685 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 723 1.852 6.836 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 723 0.534 7.696 4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 723 -0.203 4.615 6.663 1.00 0.00 H new ATOM 0 HD22 ASN A 723 1.413 4.905 6.009 1.00 0.00 H new ATOM 600 N VAL A 724 1.370 6.981 0.832 1.00 0.00 N ATOM 601 CA VAL A 724 2.013 7.778 -0.197 1.00 0.00 C ATOM 602 C VAL A 724 1.003 8.659 -0.921 1.00 0.00 C ATOM 603 O VAL A 724 -0.142 8.264 -1.132 1.00 0.00 O ATOM 604 CB VAL A 724 2.755 6.911 -1.230 1.00 0.00 C ATOM 605 CG1 VAL A 724 3.992 6.295 -0.607 1.00 0.00 C ATOM 606 CG2 VAL A 724 1.841 5.837 -1.793 1.00 0.00 C ATOM 0 H VAL A 724 0.447 6.631 0.576 1.00 0.00 H new ATOM 0 HA VAL A 724 2.744 8.403 0.316 1.00 0.00 H new ATOM 0 HB VAL A 724 3.066 7.550 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 724 4.507 5.684 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 724 4.658 7.086 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 724 3.701 5.671 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 724 2.389 5.238 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 724 1.492 5.196 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.985 6.306 -2.279 1.00 0.00 H new ATOM 616 N LEU A 725 1.442 9.852 -1.299 1.00 0.00 N ATOM 617 CA LEU A 725 0.580 10.796 -1.999 1.00 0.00 C ATOM 618 C LEU A 725 0.342 10.331 -3.428 1.00 0.00 C ATOM 619 O LEU A 725 1.288 10.022 -4.153 1.00 0.00 O ATOM 620 CB LEU A 725 1.203 12.195 -2.007 1.00 0.00 C ATOM 621 CG LEU A 725 2.494 12.336 -1.200 1.00 0.00 C ATOM 622 CD1 LEU A 725 3.243 13.595 -1.608 1.00 0.00 C ATOM 623 CD2 LEU A 725 2.188 12.349 0.291 1.00 0.00 C ATOM 0 H LEU A 725 2.390 10.189 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 725 -0.374 10.841 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 725 1.406 12.479 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.471 12.904 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 725 3.132 11.478 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 725 4.159 13.679 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 725 3.492 13.543 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 725 2.615 14.467 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 725 3.117 12.450 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 725 1.532 13.189 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.695 11.417 0.569 1.00 0.00 H new ATOM 635 N ILE A 726 -0.921 10.283 -3.829 1.00 0.00 N ATOM 636 CA ILE A 726 -1.269 9.846 -5.174 1.00 0.00 C ATOM 637 C ILE A 726 -1.066 10.959 -6.196 1.00 0.00 C ATOM 638 O ILE A 726 -1.258 10.756 -7.395 1.00 0.00 O ATOM 639 CB ILE A 726 -2.722 9.341 -5.251 1.00 0.00 C ATOM 640 CG1 ILE A 726 -3.651 10.258 -4.448 1.00 0.00 C ATOM 641 CG2 ILE A 726 -2.806 7.906 -4.748 1.00 0.00 C ATOM 642 CD1 ILE A 726 -5.101 9.821 -4.465 1.00 0.00 C ATOM 0 H ILE A 726 -1.718 10.540 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 726 -0.598 9.021 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 726 -3.047 9.359 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 726 -3.305 10.297 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 726 -3.581 11.270 -4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 726 -3.838 7.560 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 726 -2.173 7.267 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 726 -2.468 7.863 -3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -5.698 10.517 -3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -5.465 9.809 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 726 -5.185 8.821 -4.039 1.00 0.00 H new ATOM 654 N GLY A 727 -0.673 12.135 -5.716 1.00 0.00 N ATOM 655 CA GLY A 727 -0.442 13.259 -6.604 1.00 0.00 C ATOM 656 C GLY A 727 -1.610 14.222 -6.648 1.00 0.00 C ATOM 657 O GLY A 727 -2.118 14.537 -7.725 1.00 0.00 O ATOM 0 H GLY A 727 -0.511 12.329 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 727 0.452 13.793 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 727 -0.245 12.887 -7.610 1.00 0.00 H new ATOM 661 N GLN A 728 -2.033 14.692 -5.480 1.00 0.00 N ATOM 662 CA GLN A 728 -3.151 15.623 -5.396 1.00 0.00 C ATOM 663 C GLN A 728 -3.329 16.123 -3.966 1.00 0.00 C ATOM 664 O GLN A 728 -4.389 16.633 -3.602 1.00 0.00 O ATOM 665 CB GLN A 728 -4.435 14.945 -5.878 1.00 0.00 C ATOM 666 CG GLN A 728 -5.521 15.919 -6.297 1.00 0.00 C ATOM 667 CD GLN A 728 -5.067 16.865 -7.393 1.00 0.00 C ATOM 668 OE1 GLN A 728 -4.222 16.520 -8.218 1.00 0.00 O ATOM 669 NE2 GLN A 728 -5.633 18.067 -7.408 1.00 0.00 N ATOM 0 H GLN A 728 -1.620 14.444 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 728 -2.937 16.478 -6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 728 -4.198 14.295 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 728 -4.819 14.307 -5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 728 -6.391 15.360 -6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 728 -5.838 16.499 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 728 -6.330 18.311 -6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 728 -5.371 18.745 -8.123 1.00 0.00 H new ATOM 678 N GLY A 729 -2.282 15.981 -3.160 1.00 0.00 N ATOM 679 CA GLY A 729 -2.351 16.418 -1.779 1.00 0.00 C ATOM 680 C GLY A 729 -3.113 15.438 -0.913 1.00 0.00 C ATOM 681 O GLY A 729 -3.467 15.746 0.225 1.00 0.00 O ATOM 0 H GLY A 729 -1.390 15.572 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 729 -1.342 16.540 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 729 -2.832 17.395 -1.731 1.00 0.00 H new ATOM 685 N ASP A 730 -3.366 14.253 -1.460 1.00 0.00 N ATOM 686 CA ASP A 730 -4.090 13.216 -0.742 1.00 0.00 C ATOM 687 C ASP A 730 -3.140 12.112 -0.305 1.00 0.00 C ATOM 688 O ASP A 730 -2.494 11.465 -1.133 1.00 0.00 O ATOM 689 CB ASP A 730 -5.200 12.636 -1.621 1.00 0.00 C ATOM 690 CG ASP A 730 -6.233 13.678 -2.010 1.00 0.00 C ATOM 691 OD1 ASP A 730 -7.078 14.024 -1.158 1.00 0.00 O ATOM 692 OD2 ASP A 730 -6.195 14.147 -3.167 1.00 0.00 O ATOM 0 H ASP A 730 -3.078 13.989 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 730 -4.541 13.661 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -4.760 12.210 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -5.692 11.821 -1.090 1.00 0.00 H new ATOM 697 N VAL A 731 -3.062 11.901 1.002 1.00 0.00 N ATOM 698 CA VAL A 731 -2.188 10.880 1.558 1.00 0.00 C ATOM 699 C VAL A 731 -2.943 9.579 1.796 1.00 0.00 C ATOM 700 O VAL A 731 -3.761 9.475 2.711 1.00 0.00 O ATOM 701 CB VAL A 731 -1.551 11.345 2.881 1.00 0.00 C ATOM 702 CG1 VAL A 731 -0.671 10.252 3.467 1.00 0.00 C ATOM 703 CG2 VAL A 731 -0.753 12.623 2.668 1.00 0.00 C ATOM 0 H VAL A 731 -3.595 12.425 1.697 1.00 0.00 H new ATOM 0 HA VAL A 731 -1.399 10.707 0.827 1.00 0.00 H new ATOM 0 HB VAL A 731 -2.350 11.555 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 731 -0.231 10.601 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 731 -1.273 9.364 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 731 0.123 10.006 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 731 -0.310 12.937 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 731 0.037 12.441 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 731 -1.414 13.407 2.299 1.00 0.00 H new ATOM 713 N VAL A 732 -2.660 8.593 0.956 1.00 0.00 N ATOM 714 CA VAL A 732 -3.289 7.285 1.056 1.00 0.00 C ATOM 715 C VAL A 732 -2.237 6.190 0.945 1.00 0.00 C ATOM 716 O VAL A 732 -1.288 6.314 0.172 1.00 0.00 O ATOM 717 CB VAL A 732 -4.344 7.080 -0.052 1.00 0.00 C ATOM 718 CG1 VAL A 732 -5.494 8.061 0.108 1.00 0.00 C ATOM 719 CG2 VAL A 732 -3.710 7.218 -1.428 1.00 0.00 C ATOM 0 H VAL A 732 -1.991 8.677 0.190 1.00 0.00 H new ATOM 0 HA VAL A 732 -3.785 7.232 2.025 1.00 0.00 H new ATOM 0 HB VAL A 732 -4.743 6.070 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 732 -6.225 7.897 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 732 -5.969 7.910 1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 732 -5.114 9.081 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 732 -4.470 7.070 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 732 -3.279 8.214 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 732 -2.926 6.469 -1.544 1.00 0.00 H new ATOM 729 N LEU A 733 -2.407 5.119 1.704 1.00 0.00 N ATOM 730 CA LEU A 733 -1.457 4.017 1.665 1.00 0.00 C ATOM 731 C LEU A 733 -1.821 3.053 0.557 1.00 0.00 C ATOM 732 O LEU A 733 -2.962 3.023 0.100 1.00 0.00 O ATOM 733 CB LEU A 733 -1.367 3.274 3.008 1.00 0.00 C ATOM 734 CG LEU A 733 -2.696 2.908 3.664 1.00 0.00 C ATOM 735 CD1 LEU A 733 -2.512 1.763 4.644 1.00 0.00 C ATOM 736 CD2 LEU A 733 -3.282 4.109 4.370 1.00 0.00 C ATOM 0 H LEU A 733 -3.186 4.989 2.349 1.00 0.00 H new ATOM 0 HA LEU A 733 -0.474 4.445 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -0.796 2.358 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -0.799 3.891 3.704 1.00 0.00 H new ATOM 0 HG LEU A 733 -3.386 2.588 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -3.471 1.517 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -2.127 0.890 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -1.806 2.058 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -4.229 3.833 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -2.590 4.453 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -3.450 4.909 3.649 1.00 0.00 H new ATOM 748 N VAL A 734 -0.839 2.295 0.093 1.00 0.00 N ATOM 749 CA VAL A 734 -1.072 1.338 -0.969 1.00 0.00 C ATOM 750 C VAL A 734 -0.898 -0.079 -0.474 1.00 0.00 C ATOM 751 O VAL A 734 -0.385 -0.303 0.620 1.00 0.00 O ATOM 752 CB VAL A 734 -0.145 1.571 -2.169 1.00 0.00 C ATOM 753 CG1 VAL A 734 -0.961 2.054 -3.346 1.00 0.00 C ATOM 754 CG2 VAL A 734 0.959 2.560 -1.826 1.00 0.00 C ATOM 0 H VAL A 734 0.121 2.326 0.436 1.00 0.00 H new ATOM 0 HA VAL A 734 -2.102 1.484 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 734 0.337 0.629 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -0.305 2.220 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -1.708 1.303 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -1.460 2.987 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 734 1.600 2.705 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 734 0.517 3.514 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 734 1.552 2.171 -0.999 1.00 0.00 H new ATOM 764 N MET A 735 -1.315 -1.029 -1.302 1.00 0.00 N ATOM 765 CA MET A 735 -1.231 -2.442 -0.960 1.00 0.00 C ATOM 766 C MET A 735 -0.445 -3.222 -2.011 1.00 0.00 C ATOM 767 O MET A 735 -0.704 -3.110 -3.207 1.00 0.00 O ATOM 768 CB MET A 735 -2.643 -3.005 -0.841 1.00 0.00 C ATOM 769 CG MET A 735 -2.966 -3.573 0.531 1.00 0.00 C ATOM 770 SD MET A 735 -2.927 -5.375 0.569 1.00 0.00 S ATOM 771 CE MET A 735 -1.214 -5.691 0.157 1.00 0.00 C ATOM 0 H MET A 735 -1.717 -0.844 -2.221 1.00 0.00 H new ATOM 0 HA MET A 735 -0.705 -2.543 -0.011 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.359 -2.217 -1.075 1.00 0.00 H new ATOM 0 HB3 MET A 735 -2.776 -3.788 -1.588 1.00 0.00 H new ATOM 0 HG2 MET A 735 -2.253 -3.183 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 735 -3.954 -3.229 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 735 -0.911 -6.652 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 735 -1.098 -5.711 -0.927 1.00 0.00 H new ATOM 0 HE3 MET A 735 -0.588 -4.902 0.574 1.00 0.00 H new ATOM 781 N LYS A 736 0.513 -4.018 -1.548 1.00 0.00 N ATOM 782 CA LYS A 736 1.353 -4.817 -2.438 1.00 0.00 C ATOM 783 C LYS A 736 0.828 -6.251 -2.575 1.00 0.00 C ATOM 784 O LYS A 736 1.603 -7.202 -2.482 1.00 0.00 O ATOM 785 CB LYS A 736 2.786 -4.854 -1.901 1.00 0.00 C ATOM 786 CG LYS A 736 3.023 -3.891 -0.753 1.00 0.00 C ATOM 787 CD LYS A 736 3.229 -2.484 -1.264 1.00 0.00 C ATOM 788 CE LYS A 736 2.828 -1.448 -0.235 1.00 0.00 C ATOM 789 NZ LYS A 736 3.491 -1.688 1.078 1.00 0.00 N ATOM 0 H LYS A 736 0.729 -4.128 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 736 1.332 -4.350 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 736 3.016 -5.867 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 736 3.476 -4.619 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.172 -3.914 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 736 3.897 -4.207 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 736 4.276 -2.344 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 736 2.646 -2.338 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 736 3.090 -0.454 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 736 1.746 -1.465 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 3.766 -0.778 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 2.832 -2.180 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 4.338 -2.274 0.937 1.00 0.00 H new ATOM 803 N ARG A 737 -0.481 -6.400 -2.812 1.00 0.00 N ATOM 804 CA ARG A 737 -1.107 -7.727 -2.949 1.00 0.00 C ATOM 805 C ARG A 737 -0.543 -8.723 -1.951 1.00 0.00 C ATOM 806 O ARG A 737 0.007 -8.358 -0.912 1.00 0.00 O ATOM 807 CB ARG A 737 -0.950 -8.291 -4.376 1.00 0.00 C ATOM 808 CG ARG A 737 0.452 -8.180 -4.949 1.00 0.00 C ATOM 809 CD ARG A 737 0.520 -8.745 -6.359 1.00 0.00 C ATOM 810 NE ARG A 737 1.783 -8.427 -7.020 1.00 0.00 N ATOM 811 CZ ARG A 737 2.159 -8.952 -8.184 1.00 0.00 C ATOM 812 NH1 ARG A 737 1.376 -9.821 -8.807 1.00 0.00 N ATOM 813 NH2 ARG A 737 3.319 -8.606 -8.724 1.00 0.00 N ATOM 0 H ARG A 737 -1.130 -5.620 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 737 -2.168 -7.584 -2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 737 -1.245 -9.340 -4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -1.641 -7.768 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 737 0.761 -7.135 -4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 737 1.153 -8.714 -4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 737 0.394 -9.827 -6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 737 -0.307 -8.348 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 737 2.412 -7.766 -6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 737 0.482 -10.089 -8.395 1.00 0.00 H new ATOM 0 HH12 ARG A 737 1.667 -10.222 -9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 737 3.924 -7.937 -8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 737 3.607 -9.009 -9.616 1.00 0.00 H new ATOM 827 N LYS A 738 -0.719 -9.982 -2.282 1.00 0.00 N ATOM 828 CA LYS A 738 -0.244 -11.082 -1.476 1.00 0.00 C ATOM 829 C LYS A 738 -0.409 -12.346 -2.289 1.00 0.00 C ATOM 830 O LYS A 738 0.234 -13.364 -2.029 1.00 0.00 O ATOM 831 CB LYS A 738 -1.030 -11.176 -0.165 1.00 0.00 C ATOM 832 CG LYS A 738 -0.510 -12.237 0.795 1.00 0.00 C ATOM 833 CD LYS A 738 0.782 -11.803 1.475 1.00 0.00 C ATOM 834 CE LYS A 738 2.010 -12.243 0.692 1.00 0.00 C ATOM 835 NZ LYS A 738 3.274 -11.816 1.353 1.00 0.00 N ATOM 0 H LYS A 738 -1.203 -10.274 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 738 0.803 -10.933 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 738 -1.004 -10.207 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 738 -2.074 -11.389 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 738 -1.267 -12.444 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 738 -0.340 -13.166 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 738 0.789 -10.718 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 738 0.822 -12.223 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 738 2.004 -13.328 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 738 1.968 -11.825 -0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 738 4.077 -11.999 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 738 3.227 -10.800 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 738 3.402 -12.351 2.236 1.00 0.00 H new ATOM 849 N ARG A 739 -1.280 -12.248 -3.298 1.00 0.00 N ATOM 850 CA ARG A 739 -1.560 -13.358 -4.188 1.00 0.00 C ATOM 851 C ARG A 739 -2.642 -12.998 -5.207 1.00 0.00 C ATOM 852 O ARG A 739 -3.367 -12.018 -5.039 1.00 0.00 O ATOM 853 CB ARG A 739 -2.001 -14.573 -3.375 1.00 0.00 C ATOM 854 CG ARG A 739 -2.075 -15.861 -4.179 1.00 0.00 C ATOM 855 CD ARG A 739 -2.355 -17.058 -3.285 1.00 0.00 C ATOM 856 NE ARG A 739 -1.305 -17.249 -2.287 1.00 0.00 N ATOM 857 CZ ARG A 739 -1.244 -18.297 -1.471 1.00 0.00 C ATOM 858 NH1 ARG A 739 -2.169 -19.246 -1.532 1.00 0.00 N ATOM 859 NH2 ARG A 739 -0.256 -18.397 -0.591 1.00 0.00 N ATOM 0 H ARG A 739 -1.803 -11.399 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 739 -0.646 -13.592 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 739 -1.308 -14.714 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 739 -2.980 -14.371 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 739 -2.858 -15.777 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 739 -1.136 -16.014 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 739 -3.313 -16.920 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 739 -2.442 -17.956 -3.897 1.00 0.00 H new ATOM 0 HE ARG A 739 -0.578 -16.538 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 739 -2.931 -19.173 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 739 -2.119 -20.048 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 739 0.457 -17.670 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 739 -0.210 -19.201 0.035 1.00 0.00 H new ATOM 873 N ASP A 740 -2.737 -13.808 -6.261 1.00 0.00 N ATOM 874 CA ASP A 740 -3.725 -13.600 -7.318 1.00 0.00 C ATOM 875 C ASP A 740 -3.624 -12.197 -7.905 1.00 0.00 C ATOM 876 O ASP A 740 -4.349 -11.290 -7.494 1.00 0.00 O ATOM 877 CB ASP A 740 -5.139 -13.846 -6.785 1.00 0.00 C ATOM 878 CG ASP A 740 -5.309 -15.242 -6.218 1.00 0.00 C ATOM 879 OD1 ASP A 740 -5.587 -16.172 -7.003 1.00 0.00 O ATOM 880 OD2 ASP A 740 -5.164 -15.404 -4.988 1.00 0.00 O ATOM 0 H ASP A 740 -2.137 -14.620 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 740 -3.515 -14.315 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 740 -5.365 -13.113 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 740 -5.859 -13.693 -7.589 1.00 0.00 H new ATOM 885 N SER A 741 -2.720 -12.027 -8.867 1.00 0.00 N ATOM 886 CA SER A 741 -2.521 -10.735 -9.517 1.00 0.00 C ATOM 887 C SER A 741 -1.446 -10.824 -10.597 1.00 0.00 C ATOM 888 O SER A 741 -0.775 -11.846 -10.742 1.00 0.00 O ATOM 889 CB SER A 741 -2.129 -9.672 -8.487 1.00 0.00 C ATOM 890 OG SER A 741 -2.004 -8.397 -9.091 1.00 0.00 O ATOM 0 H SER A 741 -2.113 -12.770 -9.214 1.00 0.00 H new ATOM 0 HA SER A 741 -3.463 -10.450 -9.986 1.00 0.00 H new ATOM 0 HB2 SER A 741 -2.880 -9.632 -7.698 1.00 0.00 H new ATOM 0 HB3 SER A 741 -1.186 -9.948 -8.016 1.00 0.00 H new ATOM 0 HG SER A 741 -2.801 -8.211 -9.630 1.00 0.00 H new ATOM 896 N SER A 742 -1.295 -9.741 -11.351 1.00 0.00 N ATOM 897 CA SER A 742 -0.303 -9.667 -12.416 1.00 0.00 C ATOM 898 C SER A 742 0.176 -8.230 -12.577 1.00 0.00 C ATOM 899 O SER A 742 1.371 -7.969 -12.723 1.00 0.00 O ATOM 900 CB SER A 742 -0.890 -10.178 -13.734 1.00 0.00 C ATOM 901 OG SER A 742 -1.298 -11.530 -13.622 1.00 0.00 O ATOM 0 H SER A 742 -1.853 -8.894 -11.242 1.00 0.00 H new ATOM 0 HA SER A 742 0.544 -10.299 -12.149 1.00 0.00 H new ATOM 0 HB2 SER A 742 -1.742 -9.561 -14.020 1.00 0.00 H new ATOM 0 HB3 SER A 742 -0.148 -10.084 -14.527 1.00 0.00 H new ATOM 0 HG SER A 742 -1.671 -11.831 -14.477 1.00 0.00 H new ATOM 907 N ILE A 743 -0.776 -7.305 -12.547 1.00 0.00 N ATOM 908 CA ILE A 743 -0.485 -5.884 -12.668 1.00 0.00 C ATOM 909 C ILE A 743 -1.038 -5.141 -11.472 1.00 0.00 C ATOM 910 O ILE A 743 -0.707 -3.980 -11.224 1.00 0.00 O ATOM 911 CB ILE A 743 -1.100 -5.294 -13.950 1.00 0.00 C ATOM 912 CG1 ILE A 743 -2.628 -5.236 -13.828 1.00 0.00 C ATOM 913 CG2 ILE A 743 -0.693 -6.129 -15.151 1.00 0.00 C ATOM 914 CD1 ILE A 743 -3.300 -4.471 -14.946 1.00 0.00 C ATOM 0 H ILE A 743 -1.767 -7.519 -12.438 1.00 0.00 H new ATOM 0 HA ILE A 743 0.598 -5.770 -12.714 1.00 0.00 H new ATOM 0 HB ILE A 743 -0.728 -4.279 -14.088 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -3.021 -6.253 -13.809 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -2.890 -4.775 -12.876 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -1.132 -5.705 -16.054 1.00 0.00 H new ATOM 0 HG22 ILE A 743 0.393 -6.131 -15.242 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -1.048 -7.151 -15.020 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -4.379 -4.473 -14.791 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -2.937 -3.443 -14.953 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -3.069 -4.944 -15.900 1.00 0.00 H new ATOM 926 N LEU A 744 -1.890 -5.835 -10.740 1.00 0.00 N ATOM 927 CA LEU A 744 -2.532 -5.285 -9.564 1.00 0.00 C ATOM 928 C LEU A 744 -3.396 -4.082 -9.929 1.00 0.00 C ATOM 929 O LEU A 744 -3.063 -2.939 -9.612 1.00 0.00 O ATOM 930 CB LEU A 744 -1.500 -4.904 -8.494 1.00 0.00 C ATOM 931 CG LEU A 744 -1.393 -5.867 -7.305 1.00 0.00 C ATOM 932 CD1 LEU A 744 -0.591 -5.231 -6.181 1.00 0.00 C ATOM 933 CD2 LEU A 744 -2.774 -6.275 -6.809 1.00 0.00 C ATOM 0 H LEU A 744 -2.156 -6.798 -10.946 1.00 0.00 H new ATOM 0 HA LEU A 744 -3.178 -6.058 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 744 -0.521 -4.830 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 744 -1.746 -3.912 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 744 -0.875 -6.766 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 744 -0.523 -5.926 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 744 0.411 -4.994 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 744 -1.085 -4.316 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 744 -2.671 -6.958 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 744 -3.324 -5.388 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 744 -3.317 -6.771 -7.613 1.00 0.00 H new ATOM 945 N THR A 745 -4.504 -4.357 -10.606 1.00 0.00 N ATOM 946 CA THR A 745 -5.432 -3.315 -11.027 1.00 0.00 C ATOM 947 C THR A 745 -6.812 -3.905 -11.288 1.00 0.00 C ATOM 948 O THR A 745 -6.965 -4.804 -12.115 1.00 0.00 O ATOM 949 CB THR A 745 -4.940 -2.605 -12.304 1.00 0.00 C ATOM 950 OG1 THR A 745 -3.635 -2.055 -12.088 1.00 0.00 O ATOM 951 CG2 THR A 745 -5.898 -1.497 -12.715 1.00 0.00 C ATOM 0 H THR A 745 -4.783 -5.300 -10.877 1.00 0.00 H new ATOM 0 HA THR A 745 -5.489 -2.586 -10.219 1.00 0.00 H new ATOM 0 HB THR A 745 -4.897 -3.342 -13.106 1.00 0.00 H new ATOM 0 HG1 THR A 745 -3.458 -2.000 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 745 -5.528 -1.012 -13.618 1.00 0.00 H new ATOM 0 HG22 THR A 745 -6.883 -1.921 -12.909 1.00 0.00 H new ATOM 0 HG23 THR A 745 -5.970 -0.763 -11.913 1.00 0.00 H new ATOM 959 N ASP A 746 -7.816 -3.398 -10.581 1.00 0.00 N ATOM 960 CA ASP A 746 -9.178 -3.890 -10.741 1.00 0.00 C ATOM 961 C ASP A 746 -10.178 -2.739 -10.812 1.00 0.00 C ATOM 962 O ASP A 746 -10.660 -2.392 -11.890 1.00 0.00 O ATOM 963 CB ASP A 746 -9.537 -4.828 -9.587 1.00 0.00 C ATOM 964 CG ASP A 746 -10.909 -5.450 -9.752 1.00 0.00 C ATOM 965 OD1 ASP A 746 -11.903 -4.810 -9.351 1.00 0.00 O ATOM 966 OD2 ASP A 746 -10.989 -6.577 -10.284 1.00 0.00 O ATOM 0 H ASP A 746 -7.713 -2.650 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 746 -9.230 -4.440 -11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -8.789 -5.618 -9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -9.503 -4.274 -8.649 1.00 0.00 H new ATOM 971 N SER A 747 -10.484 -2.150 -9.660 1.00 0.00 N ATOM 972 CA SER A 747 -11.435 -1.045 -9.601 1.00 0.00 C ATOM 973 C SER A 747 -11.031 -0.018 -8.548 1.00 0.00 C ATOM 974 O SER A 747 -10.489 -0.367 -7.499 1.00 0.00 O ATOM 975 CB SER A 747 -12.838 -1.571 -9.299 1.00 0.00 C ATOM 976 OG SER A 747 -13.276 -2.468 -10.304 1.00 0.00 O ATOM 0 H SER A 747 -10.089 -2.418 -8.758 1.00 0.00 H new ATOM 0 HA SER A 747 -11.434 -0.553 -10.574 1.00 0.00 H new ATOM 0 HB2 SER A 747 -12.840 -2.075 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 747 -13.534 -0.736 -9.225 1.00 0.00 H new ATOM 0 HG SER A 747 -12.893 -3.355 -10.140 1.00 0.00 H new ATOM 982 N GLN A 748 -11.298 1.251 -8.841 1.00 0.00 N ATOM 983 CA GLN A 748 -10.974 2.335 -7.922 1.00 0.00 C ATOM 984 C GLN A 748 -12.168 2.654 -7.028 1.00 0.00 C ATOM 985 O GLN A 748 -12.102 3.542 -6.177 1.00 0.00 O ATOM 986 CB GLN A 748 -10.554 3.585 -8.699 1.00 0.00 C ATOM 987 CG GLN A 748 -11.612 4.082 -9.671 1.00 0.00 C ATOM 988 CD GLN A 748 -11.174 5.323 -10.424 1.00 0.00 C ATOM 989 OE1 GLN A 748 -9.985 5.526 -10.672 1.00 0.00 O ATOM 990 NE2 GLN A 748 -12.135 6.162 -10.792 1.00 0.00 N ATOM 0 H GLN A 748 -11.739 1.554 -9.710 1.00 0.00 H new ATOM 0 HA GLN A 748 -10.143 2.014 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -10.320 4.381 -7.992 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -9.639 3.369 -9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -11.845 3.292 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -12.530 4.298 -9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -13.108 5.954 -10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -11.901 7.014 -11.301 1.00 0.00 H new ATOM 999 N THR A 749 -13.261 1.920 -7.230 1.00 0.00 N ATOM 1000 CA THR A 749 -14.475 2.116 -6.445 1.00 0.00 C ATOM 1001 C THR A 749 -14.206 1.887 -4.962 1.00 0.00 C ATOM 1002 O THR A 749 -14.964 2.343 -4.105 1.00 0.00 O ATOM 1003 CB THR A 749 -15.599 1.166 -6.901 1.00 0.00 C ATOM 1004 OG1 THR A 749 -16.769 1.371 -6.099 1.00 0.00 O ATOM 1005 CG2 THR A 749 -15.157 -0.286 -6.796 1.00 0.00 C ATOM 0 H THR A 749 -13.329 1.183 -7.932 1.00 0.00 H new ATOM 0 HA THR A 749 -14.794 3.146 -6.604 1.00 0.00 H new ATOM 0 HB THR A 749 -15.829 1.386 -7.944 1.00 0.00 H new ATOM 0 HG1 THR A 749 -17.479 0.765 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 749 -15.967 -0.938 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 749 -14.284 -0.447 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 749 -14.903 -0.515 -5.761 1.00 0.00 H new ATOM 1013 N ALA A 750 -13.126 1.173 -4.672 1.00 0.00 N ATOM 1014 CA ALA A 750 -12.746 0.878 -3.298 1.00 0.00 C ATOM 1015 C ALA A 750 -11.645 1.821 -2.826 1.00 0.00 C ATOM 1016 O ALA A 750 -10.458 1.529 -2.976 1.00 0.00 O ATOM 1017 CB ALA A 750 -12.294 -0.571 -3.182 1.00 0.00 C ATOM 0 H ALA A 750 -12.495 0.786 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 750 -13.615 1.028 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 750 -12.012 -0.783 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 750 -13.109 -1.231 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 750 -11.437 -0.738 -3.834 1.00 0.00 H new ATOM 1023 N THR A 751 -12.045 2.957 -2.260 1.00 0.00 N ATOM 1024 CA THR A 751 -11.086 3.943 -1.776 1.00 0.00 C ATOM 1025 C THR A 751 -10.823 3.774 -0.284 1.00 0.00 C ATOM 1026 O THR A 751 -9.754 4.132 0.205 1.00 0.00 O ATOM 1027 CB THR A 751 -11.568 5.381 -2.048 1.00 0.00 C ATOM 1028 OG1 THR A 751 -11.893 5.533 -3.434 1.00 0.00 O ATOM 1029 CG2 THR A 751 -10.500 6.396 -1.662 1.00 0.00 C ATOM 0 H THR A 751 -13.023 3.216 -2.126 1.00 0.00 H new ATOM 0 HA THR A 751 -10.158 3.773 -2.323 1.00 0.00 H new ATOM 0 HB THR A 751 -12.455 5.562 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 751 -12.200 6.449 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 751 -10.865 7.403 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 751 -10.272 6.299 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 751 -9.597 6.214 -2.245 1.00 0.00 H new ATOM 1037 N LYS A 752 -11.804 3.245 0.441 1.00 0.00 N ATOM 1038 CA LYS A 752 -11.643 3.019 1.872 1.00 0.00 C ATOM 1039 C LYS A 752 -10.504 2.035 2.103 1.00 0.00 C ATOM 1040 O LYS A 752 -9.557 2.320 2.837 1.00 0.00 O ATOM 1041 CB LYS A 752 -12.937 2.480 2.484 1.00 0.00 C ATOM 1042 CG LYS A 752 -14.092 3.467 2.431 1.00 0.00 C ATOM 1043 CD LYS A 752 -15.339 2.910 3.102 1.00 0.00 C ATOM 1044 CE LYS A 752 -15.125 2.689 4.592 1.00 0.00 C ATOM 1045 NZ LYS A 752 -14.691 3.935 5.284 1.00 0.00 N ATOM 0 H LYS A 752 -12.711 2.967 0.065 1.00 0.00 H new ATOM 0 HA LYS A 752 -11.409 3.967 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 752 -13.225 1.568 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 752 -12.751 2.206 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 752 -13.800 4.396 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 752 -14.315 3.710 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 752 -16.171 3.598 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 752 -15.616 1.967 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 752 -16.050 2.328 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 752 -14.375 1.912 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 752 -14.800 3.817 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 752 -13.693 4.126 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 752 -15.276 4.732 4.963 1.00 0.00 H new ATOM 1059 N ARG A 753 -10.610 0.881 1.456 1.00 0.00 N ATOM 1060 CA ARG A 753 -9.598 -0.162 1.544 1.00 0.00 C ATOM 1061 C ARG A 753 -9.718 -1.100 0.350 1.00 0.00 C ATOM 1062 O ARG A 753 -10.784 -1.210 -0.257 1.00 0.00 O ATOM 1063 CB ARG A 753 -9.718 -0.943 2.853 1.00 0.00 C ATOM 1064 CG ARG A 753 -8.893 -0.354 3.988 1.00 0.00 C ATOM 1065 CD ARG A 753 -8.853 -1.289 5.186 1.00 0.00 C ATOM 1066 NE ARG A 753 -8.012 -0.769 6.260 1.00 0.00 N ATOM 1067 CZ ARG A 753 -7.757 -1.434 7.384 1.00 0.00 C ATOM 1068 NH1 ARG A 753 -8.278 -2.639 7.578 1.00 0.00 N ATOM 1069 NH2 ARG A 753 -6.982 -0.895 8.315 1.00 0.00 N ATOM 0 H ARG A 753 -11.400 0.643 0.856 1.00 0.00 H new ATOM 0 HA ARG A 753 -8.616 0.311 1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 753 -10.765 -0.974 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 753 -9.404 -1.973 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 753 -7.878 -0.161 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 753 -9.315 0.606 4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 753 -9.865 -1.442 5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 753 -8.479 -2.264 4.872 1.00 0.00 H new ATOM 0 HE ARG A 753 -7.597 0.155 6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 753 -8.875 -3.057 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 753 -8.081 -3.147 8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 753 -6.580 0.031 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 753 -6.788 -1.407 9.176 1.00 0.00 H new ATOM 1083 N ILE A 754 -8.624 -1.771 0.015 1.00 0.00 N ATOM 1084 CA ILE A 754 -8.605 -2.683 -1.121 1.00 0.00 C ATOM 1085 C ILE A 754 -9.712 -3.726 -1.031 1.00 0.00 C ATOM 1086 O ILE A 754 -10.143 -4.101 0.060 1.00 0.00 O ATOM 1087 CB ILE A 754 -7.242 -3.391 -1.259 1.00 0.00 C ATOM 1088 CG1 ILE A 754 -7.092 -4.522 -0.230 1.00 0.00 C ATOM 1089 CG2 ILE A 754 -6.119 -2.376 -1.116 1.00 0.00 C ATOM 1090 CD1 ILE A 754 -7.079 -4.056 1.212 1.00 0.00 C ATOM 0 H ILE A 754 -7.737 -1.701 0.514 1.00 0.00 H new ATOM 0 HA ILE A 754 -8.776 -2.071 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 754 -7.187 -3.844 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 754 -7.910 -5.230 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 754 -6.167 -5.062 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 754 -5.158 -2.881 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 754 -6.212 -1.618 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 754 -6.181 -1.900 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 754 -6.970 -4.917 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 754 -6.244 -3.373 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 754 -8.014 -3.543 1.437 1.00 0.00 H new ATOM 1102 N ARG A 755 -10.164 -4.185 -2.191 1.00 0.00 N ATOM 1103 CA ARG A 755 -11.219 -5.186 -2.268 1.00 0.00 C ATOM 1104 C ARG A 755 -10.646 -6.594 -2.139 1.00 0.00 C ATOM 1105 O ARG A 755 -11.380 -7.581 -2.176 1.00 0.00 O ATOM 1106 CB ARG A 755 -11.987 -5.040 -3.586 1.00 0.00 C ATOM 1107 CG ARG A 755 -11.103 -4.716 -4.785 1.00 0.00 C ATOM 1108 CD ARG A 755 -10.330 -5.935 -5.261 1.00 0.00 C ATOM 1109 NE ARG A 755 -11.217 -7.005 -5.711 1.00 0.00 N ATOM 1110 CZ ARG A 755 -10.805 -8.069 -6.395 1.00 0.00 C ATOM 1111 NH1 ARG A 755 -9.522 -8.208 -6.700 1.00 0.00 N ATOM 1112 NH2 ARG A 755 -11.674 -8.996 -6.772 1.00 0.00 N ATOM 0 H ARG A 755 -9.813 -3.877 -3.098 1.00 0.00 H new ATOM 0 HA ARG A 755 -11.907 -5.025 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 755 -12.527 -5.966 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 755 -12.734 -4.254 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 755 -11.720 -4.336 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 755 -10.404 -3.924 -4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 755 -9.666 -5.648 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 755 -9.700 -6.303 -4.452 1.00 0.00 H new ATOM 0 HE ARG A 755 -12.210 -6.932 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 755 -8.849 -7.498 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 755 -9.208 -9.025 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 755 -12.662 -8.895 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 755 -11.355 -9.811 -7.296 1.00 0.00 H new ATOM 1126 N MET A 756 -9.327 -6.676 -1.982 1.00 0.00 N ATOM 1127 CA MET A 756 -8.647 -7.960 -1.846 1.00 0.00 C ATOM 1128 C MET A 756 -8.491 -8.339 -0.377 1.00 0.00 C ATOM 1129 O MET A 756 -8.251 -7.483 0.474 1.00 0.00 O ATOM 1130 CB MET A 756 -7.275 -7.907 -2.522 1.00 0.00 C ATOM 1131 CG MET A 756 -6.466 -9.184 -2.362 1.00 0.00 C ATOM 1132 SD MET A 756 -7.323 -10.636 -3.000 1.00 0.00 S ATOM 1133 CE MET A 756 -6.150 -11.928 -2.592 1.00 0.00 C ATOM 0 H MET A 756 -8.708 -5.866 -1.946 1.00 0.00 H new ATOM 0 HA MET A 756 -9.256 -8.721 -2.335 1.00 0.00 H new ATOM 0 HB2 MET A 756 -7.411 -7.704 -3.584 1.00 0.00 H new ATOM 0 HB3 MET A 756 -6.708 -7.073 -2.108 1.00 0.00 H new ATOM 0 HG2 MET A 756 -5.513 -9.073 -2.880 1.00 0.00 H new ATOM 0 HG3 MET A 756 -6.239 -9.336 -1.307 1.00 0.00 H new ATOM 0 HE1 MET A 756 -6.309 -12.784 -3.247 1.00 0.00 H new ATOM 0 HE2 MET A 756 -5.135 -11.553 -2.725 1.00 0.00 H new ATOM 0 HE3 MET A 756 -6.291 -12.233 -1.555 1.00 0.00 H new ATOM 1143 N ALA A 757 -8.625 -9.631 -0.088 1.00 0.00 N ATOM 1144 CA ALA A 757 -8.496 -10.128 1.277 1.00 0.00 C ATOM 1145 C ALA A 757 -7.059 -10.538 1.575 1.00 0.00 C ATOM 1146 O ALA A 757 -6.464 -11.327 0.841 1.00 0.00 O ATOM 1147 CB ALA A 757 -9.439 -11.299 1.505 1.00 0.00 C ATOM 0 H ALA A 757 -8.823 -10.352 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 757 -8.767 -9.322 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -9.331 -11.659 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -10.467 -10.976 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -9.196 -12.103 0.810 1.00 0.00 H new ATOM 1153 N ILE A 758 -6.506 -9.997 2.656 1.00 0.00 N ATOM 1154 CA ILE A 758 -5.136 -10.305 3.049 1.00 0.00 C ATOM 1155 C ILE A 758 -5.101 -11.041 4.382 1.00 0.00 C ATOM 1156 O ILE A 758 -5.783 -10.657 5.333 1.00 0.00 O ATOM 1157 CB ILE A 758 -4.282 -9.026 3.162 1.00 0.00 C ATOM 1158 CG1 ILE A 758 -4.496 -8.127 1.941 1.00 0.00 C ATOM 1159 CG2 ILE A 758 -2.810 -9.385 3.315 1.00 0.00 C ATOM 1160 CD1 ILE A 758 -4.091 -8.767 0.629 1.00 0.00 C ATOM 0 H ILE A 758 -6.986 -9.343 3.275 1.00 0.00 H new ATOM 0 HA ILE A 758 -4.720 -10.944 2.270 1.00 0.00 H new ATOM 0 HB ILE A 758 -4.596 -8.476 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -5.548 -7.847 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -3.928 -7.207 2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -2.219 -8.472 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -2.673 -9.984 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -2.482 -9.956 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -4.273 -8.069 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -3.032 -9.022 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -4.677 -9.672 0.469 1.00 0.00 H new ATOM 1172 N ASN A 759 -4.302 -12.101 4.445 1.00 0.00 N ATOM 1173 CA ASN A 759 -4.176 -12.890 5.663 1.00 0.00 C ATOM 1174 C ASN A 759 -2.768 -12.774 6.241 1.00 0.00 C ATOM 1175 O ASN A 759 -1.935 -13.660 5.956 1.00 0.00 O ATOM 1176 CB ASN A 759 -4.508 -14.357 5.378 1.00 0.00 C ATOM 1177 CG ASN A 759 -5.899 -14.533 4.802 1.00 0.00 C ATOM 1178 OD1 ASN A 759 -6.810 -13.760 5.101 1.00 0.00 O ATOM 1179 ND2 ASN A 759 -6.069 -15.555 3.971 1.00 0.00 N ATOM 1180 OXT ASN A 759 -2.511 -11.795 6.973 1.00 0.00 O ATOM 0 H ASN A 759 -3.732 -12.433 3.667 1.00 0.00 H new ATOM 0 HA ASN A 759 -4.882 -12.502 6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 759 -3.775 -14.764 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 759 -4.424 -14.932 6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 759 -6.983 -15.725 3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 759 -5.285 -16.170 3.752 1.00 0.00 H new TER 1187 ASN A 759