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 Set 1.1: A 699 LYS NZ :NH3+ 166:sc= -0.0373 (180deg=-0.263) USER MOD Set 1.2: A 752 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 704 TYR OH : rot 136:sc= -1.78! USER MOD Set 2.2: A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 688 SER OG : rot -15:sc= 0.385 USER MOD Set 3.2: A 745 THR OG1 : rot -176:sc= 0.733 USER MOD Single : A 709 SER OG : rot 180:sc= -0.222 USER MOD Single : A 711 ASN :FLIP amide:sc= 1.07 F(o=-0.17,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=-0.56) USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 723 ASN : amide:sc= -3.33 X(o=-3.3,f=-3.8!) USER MOD Single : A 728 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 735 MET CE :methyl 152:sc= -4.07! (180deg=-4.67!) USER MOD Single : A 736 LYS NZ :NH3+ -106:sc= -6.79! (180deg=-7.52!) USER MOD Single : A 738 LYS NZ :NH3+ -113:sc= 0.0628 (180deg=-0.513) USER MOD Single : A 741 SER OG : rot 180:sc= 0 USER MOD Single : A 742 SER OG : rot -13:sc= 0.888 USER MOD Single : A 747 SER OG : rot 39:sc= -0.0674 USER MOD Single : A 748 GLN :FLIP amide:sc= -1.81! C(o=-4.6!,f=-1.8!) USER MOD Single : A 749 THR OG1 : rot -122:sc= 0.466 USER MOD Single : A 751 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 756 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 759 ASN : amide:sc= -0.0952 X(o=-0.095,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 685 -7.893 0.746 -10.510 1.00 0.00 N ATOM 2 CA GLY A 685 -7.147 1.699 -9.642 1.00 0.00 C ATOM 3 C GLY A 685 -6.171 2.556 -10.424 1.00 0.00 C ATOM 4 O GLY A 685 -5.088 2.097 -10.790 1.00 0.00 O ATOM 0 HA2 GLY A 685 -7.856 2.344 -9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 685 -6.605 1.141 -8.878 1.00 0.00 H new ATOM 8 N VAL A 686 -6.553 3.803 -10.680 1.00 0.00 N ATOM 9 CA VAL A 686 -5.703 4.728 -11.421 1.00 0.00 C ATOM 10 C VAL A 686 -4.442 5.054 -10.632 1.00 0.00 C ATOM 11 O VAL A 686 -3.401 5.384 -11.202 1.00 0.00 O ATOM 12 CB VAL A 686 -6.451 6.036 -11.747 1.00 0.00 C ATOM 13 CG1 VAL A 686 -5.598 6.943 -12.619 1.00 0.00 C ATOM 14 CG2 VAL A 686 -7.781 5.736 -12.420 1.00 0.00 C ATOM 0 H VAL A 686 -7.447 4.197 -10.385 1.00 0.00 H new ATOM 0 HA VAL A 686 -5.428 4.237 -12.355 1.00 0.00 H new ATOM 0 HB VAL A 686 -6.651 6.558 -10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 686 -6.146 7.860 -12.836 1.00 0.00 H new ATOM 0 HG12 VAL A 686 -4.674 7.188 -12.095 1.00 0.00 H new ATOM 0 HG13 VAL A 686 -5.361 6.432 -13.552 1.00 0.00 H new ATOM 0 HG21 VAL A 686 -8.295 6.671 -12.643 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -7.605 5.189 -13.346 1.00 0.00 H new ATOM 0 HG23 VAL A 686 -8.398 5.133 -11.754 1.00 0.00 H new ATOM 24 N GLU A 687 -4.549 4.952 -9.316 1.00 0.00 N ATOM 25 CA GLU A 687 -3.427 5.231 -8.426 1.00 0.00 C ATOM 26 C GLU A 687 -2.434 4.073 -8.446 1.00 0.00 C ATOM 27 O GLU A 687 -1.221 4.273 -8.507 1.00 0.00 O ATOM 28 CB GLU A 687 -3.923 5.460 -6.997 1.00 0.00 C ATOM 29 CG GLU A 687 -4.981 6.546 -6.875 1.00 0.00 C ATOM 30 CD GLU A 687 -6.325 6.127 -7.441 1.00 0.00 C ATOM 31 OE1 GLU A 687 -7.049 5.374 -6.755 1.00 0.00 O ATOM 32 OE2 GLU A 687 -6.653 6.549 -8.569 1.00 0.00 O ATOM 0 H GLU A 687 -5.406 4.677 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 687 -2.928 6.134 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 687 -4.330 4.526 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 687 -3.074 5.722 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 687 -5.102 6.812 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 687 -4.637 7.441 -7.393 1.00 0.00 H new ATOM 39 N SER A 688 -2.966 2.862 -8.394 1.00 0.00 N ATOM 40 CA SER A 688 -2.143 1.663 -8.410 1.00 0.00 C ATOM 41 C SER A 688 -1.540 1.437 -9.790 1.00 0.00 C ATOM 42 O SER A 688 -0.504 0.793 -9.922 1.00 0.00 O ATOM 43 CB SER A 688 -2.970 0.447 -8.004 1.00 0.00 C ATOM 44 OG SER A 688 -4.037 0.238 -8.911 1.00 0.00 O ATOM 0 H SER A 688 -3.969 2.683 -8.340 1.00 0.00 H new ATOM 0 HA SER A 688 -1.333 1.801 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 688 -2.334 -0.437 -7.974 1.00 0.00 H new ATOM 0 HB3 SER A 688 -3.365 0.590 -6.998 1.00 0.00 H new ATOM 0 HG SER A 688 -4.163 1.041 -9.458 1.00 0.00 H new ATOM 50 N ALA A 689 -2.209 1.955 -10.816 1.00 0.00 N ATOM 51 CA ALA A 689 -1.743 1.801 -12.189 1.00 0.00 C ATOM 52 C ALA A 689 -0.366 2.424 -12.387 1.00 0.00 C ATOM 53 O ALA A 689 0.571 1.739 -12.797 1.00 0.00 O ATOM 54 CB ALA A 689 -2.749 2.402 -13.160 1.00 0.00 C ATOM 0 H ALA A 689 -3.075 2.485 -10.722 1.00 0.00 H new ATOM 0 HA ALA A 689 -1.652 0.734 -12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 689 -2.387 2.279 -14.181 1.00 0.00 H new ATOM 0 HB2 ALA A 689 -3.708 1.895 -13.051 1.00 0.00 H new ATOM 0 HB3 ALA A 689 -2.874 3.463 -12.944 1.00 0.00 H new ATOM 60 N VAL A 690 -0.244 3.723 -12.108 1.00 0.00 N ATOM 61 CA VAL A 690 1.039 4.407 -12.252 1.00 0.00 C ATOM 62 C VAL A 690 2.130 3.616 -11.552 1.00 0.00 C ATOM 63 O VAL A 690 3.229 3.434 -12.078 1.00 0.00 O ATOM 64 CB VAL A 690 1.010 5.829 -11.659 1.00 0.00 C ATOM 65 CG1 VAL A 690 0.187 6.765 -12.527 1.00 0.00 C ATOM 66 CG2 VAL A 690 0.476 5.813 -10.235 1.00 0.00 C ATOM 0 H VAL A 690 -1.009 4.315 -11.785 1.00 0.00 H new ATOM 0 HA VAL A 690 1.241 4.482 -13.320 1.00 0.00 H new ATOM 0 HB VAL A 690 2.034 6.201 -11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 690 0.183 7.762 -12.085 1.00 0.00 H new ATOM 0 HG12 VAL A 690 0.622 6.812 -13.525 1.00 0.00 H new ATOM 0 HG13 VAL A 690 -0.836 6.394 -12.594 1.00 0.00 H new ATOM 0 HG21 VAL A 690 0.466 6.828 -9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 690 -0.537 5.411 -10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 690 1.117 5.188 -9.613 1.00 0.00 H new ATOM 76 N LEU A 691 1.804 3.156 -10.354 1.00 0.00 N ATOM 77 CA LEU A 691 2.722 2.369 -9.548 1.00 0.00 C ATOM 78 C LEU A 691 3.023 1.025 -10.202 1.00 0.00 C ATOM 79 O LEU A 691 4.164 0.563 -10.200 1.00 0.00 O ATOM 80 CB LEU A 691 2.115 2.132 -8.170 1.00 0.00 C ATOM 81 CG LEU A 691 1.663 3.388 -7.431 1.00 0.00 C ATOM 82 CD1 LEU A 691 0.957 3.025 -6.134 1.00 0.00 C ATOM 83 CD2 LEU A 691 2.846 4.298 -7.156 1.00 0.00 C ATOM 0 H LEU A 691 0.898 3.318 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 691 3.656 2.925 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 691 1.259 1.466 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 691 2.848 1.611 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 691 0.956 3.922 -8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 691 0.643 3.935 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 691 0.082 2.413 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 691 1.639 2.466 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 691 2.505 5.189 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 691 3.576 3.770 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 691 3.308 4.590 -8.099 1.00 0.00 H new ATOM 95 N ARG A 692 1.987 0.405 -10.755 1.00 0.00 N ATOM 96 CA ARG A 692 2.115 -0.894 -11.402 1.00 0.00 C ATOM 97 C ARG A 692 2.643 -1.938 -10.418 1.00 0.00 C ATOM 98 O ARG A 692 3.807 -2.334 -10.483 1.00 0.00 O ATOM 99 CB ARG A 692 3.039 -0.795 -12.620 1.00 0.00 C ATOM 100 CG ARG A 692 3.111 -2.071 -13.441 1.00 0.00 C ATOM 101 CD ARG A 692 4.080 -1.925 -14.604 1.00 0.00 C ATOM 102 NE ARG A 692 5.424 -1.576 -14.152 1.00 0.00 N ATOM 103 CZ ARG A 692 6.393 -1.161 -14.962 1.00 0.00 C ATOM 104 NH1 ARG A 692 6.170 -1.044 -16.265 1.00 0.00 N ATOM 105 NH2 ARG A 692 7.587 -0.863 -14.470 1.00 0.00 N ATOM 0 H ARG A 692 1.041 0.786 -10.767 1.00 0.00 H new ATOM 0 HA ARG A 692 1.127 -1.208 -11.738 1.00 0.00 H new ATOM 0 HB2 ARG A 692 2.696 0.018 -13.259 1.00 0.00 H new ATOM 0 HB3 ARG A 692 4.042 -0.534 -12.283 1.00 0.00 H new ATOM 0 HG2 ARG A 692 3.425 -2.898 -12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 692 2.119 -2.319 -13.820 1.00 0.00 H new ATOM 0 HD2 ARG A 692 4.117 -2.859 -15.165 1.00 0.00 H new ATOM 0 HD3 ARG A 692 3.715 -1.157 -15.286 1.00 0.00 H new ATOM 0 HE ARG A 692 5.631 -1.655 -13.156 1.00 0.00 H new ATOM 0 HH11 ARG A 692 5.253 -1.273 -16.648 1.00 0.00 H new ATOM 0 HH12 ARG A 692 6.916 -0.725 -16.883 1.00 0.00 H new ATOM 0 HH21 ARG A 692 7.763 -0.952 -13.469 1.00 0.00 H new ATOM 0 HH22 ARG A 692 8.330 -0.545 -15.092 1.00 0.00 H new ATOM 119 N GLY A 693 1.782 -2.369 -9.495 1.00 0.00 N ATOM 120 CA GLY A 693 2.184 -3.366 -8.517 1.00 0.00 C ATOM 121 C GLY A 693 1.621 -3.113 -7.128 1.00 0.00 C ATOM 122 O GLY A 693 2.098 -3.691 -6.152 1.00 0.00 O ATOM 0 H GLY A 693 0.818 -2.046 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 693 1.860 -4.349 -8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 693 3.272 -3.390 -8.461 1.00 0.00 H new ATOM 126 N PHE A 694 0.609 -2.252 -7.032 1.00 0.00 N ATOM 127 CA PHE A 694 -0.006 -1.946 -5.743 1.00 0.00 C ATOM 128 C PHE A 694 -1.526 -2.037 -5.820 1.00 0.00 C ATOM 129 O PHE A 694 -2.097 -2.240 -6.890 1.00 0.00 O ATOM 130 CB PHE A 694 0.399 -0.550 -5.264 1.00 0.00 C ATOM 131 CG PHE A 694 1.859 -0.424 -4.934 1.00 0.00 C ATOM 132 CD1 PHE A 694 2.773 -0.116 -5.922 1.00 0.00 C ATOM 133 CD2 PHE A 694 2.315 -0.615 -3.640 1.00 0.00 C ATOM 134 CE1 PHE A 694 4.117 0.002 -5.633 1.00 0.00 C ATOM 135 CE2 PHE A 694 3.660 -0.498 -3.345 1.00 0.00 C ATOM 136 CZ PHE A 694 4.559 -0.193 -4.343 1.00 0.00 C ATOM 0 H PHE A 694 0.201 -1.758 -7.825 1.00 0.00 H new ATOM 0 HA PHE A 694 0.353 -2.687 -5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 694 0.146 0.177 -6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 694 -0.187 -0.294 -4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 694 2.431 0.035 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 694 1.614 -0.857 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 694 4.820 0.246 -6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 694 4.006 -0.646 -2.333 1.00 0.00 H new ATOM 0 HZ PHE A 694 5.611 -0.107 -4.114 1.00 0.00 H new ATOM 146 N LEU A 695 -2.170 -1.885 -4.669 1.00 0.00 N ATOM 147 CA LEU A 695 -3.623 -1.943 -4.575 1.00 0.00 C ATOM 148 C LEU A 695 -4.165 -0.637 -4.017 1.00 0.00 C ATOM 149 O LEU A 695 -3.425 0.137 -3.416 1.00 0.00 O ATOM 150 CB LEU A 695 -4.044 -3.096 -3.667 1.00 0.00 C ATOM 151 CG LEU A 695 -4.758 -4.255 -4.364 1.00 0.00 C ATOM 152 CD1 LEU A 695 -5.016 -5.383 -3.379 1.00 0.00 C ATOM 153 CD2 LEU A 695 -6.062 -3.778 -4.986 1.00 0.00 C ATOM 0 H LEU A 695 -1.702 -1.719 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 695 -4.029 -2.103 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 695 -3.156 -3.486 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 695 -4.699 -2.703 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 695 -4.116 -4.632 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 695 -5.525 -6.201 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 695 -4.067 -5.739 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 695 -5.641 -5.018 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 695 -6.558 -4.615 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 695 -6.712 -3.378 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 695 -5.852 -2.999 -5.719 1.00 0.00 H new ATOM 165 N ILE A 696 -5.457 -0.392 -4.199 1.00 0.00 N ATOM 166 CA ILE A 696 -6.048 0.834 -3.692 1.00 0.00 C ATOM 167 C ILE A 696 -6.498 0.659 -2.249 1.00 0.00 C ATOM 168 O ILE A 696 -7.535 0.053 -1.981 1.00 0.00 O ATOM 169 CB ILE A 696 -7.252 1.285 -4.544 1.00 0.00 C ATOM 170 CG1 ILE A 696 -6.839 1.449 -6.010 1.00 0.00 C ATOM 171 CG2 ILE A 696 -7.828 2.585 -4.000 1.00 0.00 C ATOM 172 CD1 ILE A 696 -5.736 2.463 -6.225 1.00 0.00 C ATOM 0 H ILE A 696 -6.103 -1.014 -4.685 1.00 0.00 H new ATOM 0 HA ILE A 696 -5.277 1.602 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 696 -8.024 0.517 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 696 -6.512 0.483 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 696 -7.711 1.746 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 696 -8.677 2.891 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 696 -8.157 2.435 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 696 -7.063 3.361 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 696 -5.499 2.523 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 696 -6.066 3.440 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 696 -4.848 2.158 -5.672 1.00 0.00 H new ATOM 184 N LEU A 697 -5.715 1.199 -1.322 1.00 0.00 N ATOM 185 CA LEU A 697 -6.045 1.110 0.091 1.00 0.00 C ATOM 186 C LEU A 697 -6.978 2.254 0.461 1.00 0.00 C ATOM 187 O LEU A 697 -8.181 2.174 0.224 1.00 0.00 O ATOM 188 CB LEU A 697 -4.766 1.130 0.940 1.00 0.00 C ATOM 189 CG LEU A 697 -4.849 0.431 2.302 1.00 0.00 C ATOM 190 CD1 LEU A 697 -5.800 1.167 3.224 1.00 0.00 C ATOM 191 CD2 LEU A 697 -5.274 -1.021 2.141 1.00 0.00 C ATOM 0 H LEU A 697 -4.851 1.701 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 697 -6.555 0.168 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 697 -3.965 0.666 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 697 -4.480 2.169 1.104 1.00 0.00 H new ATOM 0 HG LEU A 697 -3.856 0.446 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 697 -5.844 0.655 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 697 -5.446 2.187 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 697 -6.795 1.189 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 697 -5.326 -1.496 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 697 -6.254 -1.063 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 697 -4.547 -1.546 1.521 1.00 0.00 H new ATOM 203 N GLY A 698 -6.428 3.321 1.020 1.00 0.00 N ATOM 204 CA GLY A 698 -7.258 4.460 1.379 1.00 0.00 C ATOM 205 C GLY A 698 -6.496 5.564 2.083 1.00 0.00 C ATOM 206 O GLY A 698 -5.270 5.537 2.151 1.00 0.00 O ATOM 0 H GLY A 698 -5.435 3.422 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 698 -7.717 4.864 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 698 -8.068 4.120 2.024 1.00 0.00 H new ATOM 210 N LYS A 699 -7.235 6.545 2.596 1.00 0.00 N ATOM 211 CA LYS A 699 -6.642 7.672 3.311 1.00 0.00 C ATOM 212 C LYS A 699 -6.843 7.506 4.811 1.00 0.00 C ATOM 213 O LYS A 699 -7.544 8.287 5.455 1.00 0.00 O ATOM 214 CB LYS A 699 -7.253 8.991 2.833 1.00 0.00 C ATOM 215 CG LYS A 699 -8.772 8.973 2.773 1.00 0.00 C ATOM 216 CD LYS A 699 -9.323 10.286 2.240 1.00 0.00 C ATOM 217 CE LYS A 699 -10.843 10.277 2.202 1.00 0.00 C ATOM 218 NZ LYS A 699 -11.431 10.107 3.558 1.00 0.00 N ATOM 0 H LYS A 699 -8.252 6.582 2.529 1.00 0.00 H new ATOM 0 HA LYS A 699 -5.572 7.693 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.934 9.792 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -6.862 9.225 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -9.103 8.153 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -9.175 8.785 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -8.978 11.108 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -8.934 10.465 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -11.201 11.210 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -11.185 9.470 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -12.444 10.340 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -11.312 9.121 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -10.949 10.740 4.227 1.00 0.00 H new ATOM 232 N GLU A 700 -6.214 6.475 5.348 1.00 0.00 N ATOM 233 CA GLU A 700 -6.308 6.153 6.763 1.00 0.00 C ATOM 234 C GLU A 700 -5.078 5.383 7.197 1.00 0.00 C ATOM 235 O GLU A 700 -4.072 5.377 6.505 1.00 0.00 O ATOM 236 CB GLU A 700 -7.561 5.333 7.057 1.00 0.00 C ATOM 237 CG GLU A 700 -7.640 4.042 6.257 1.00 0.00 C ATOM 238 CD GLU A 700 -8.846 3.203 6.629 1.00 0.00 C ATOM 239 OE1 GLU A 700 -8.746 2.411 7.590 1.00 0.00 O ATOM 240 OE2 GLU A 700 -9.892 3.337 5.959 1.00 0.00 O ATOM 0 H GLU A 700 -5.623 5.836 4.816 1.00 0.00 H new ATOM 0 HA GLU A 700 -6.371 7.086 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 700 -7.589 5.095 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 700 -8.441 5.939 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 700 -7.680 4.279 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 700 -6.732 3.461 6.420 1.00 0.00 H new ATOM 247 N ASP A 701 -5.135 4.792 8.378 1.00 0.00 N ATOM 248 CA ASP A 701 -4.014 4.002 8.867 1.00 0.00 C ATOM 249 C ASP A 701 -2.744 4.847 8.879 1.00 0.00 C ATOM 250 O ASP A 701 -1.696 4.433 8.381 1.00 0.00 O ATOM 251 CB ASP A 701 -3.842 2.759 7.981 1.00 0.00 C ATOM 252 CG ASP A 701 -2.929 1.717 8.598 1.00 0.00 C ATOM 253 OD1 ASP A 701 -2.022 2.097 9.367 1.00 0.00 O ATOM 254 OD2 ASP A 701 -3.128 0.517 8.318 1.00 0.00 O ATOM 0 H ASP A 701 -5.934 4.841 9.010 1.00 0.00 H new ATOM 0 HA ASP A 701 -4.211 3.678 9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 701 -4.819 2.314 7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 701 -3.439 3.061 7.014 1.00 0.00 H new ATOM 259 N ARG A 702 -2.858 6.039 9.452 1.00 0.00 N ATOM 260 CA ARG A 702 -1.737 6.965 9.541 1.00 0.00 C ATOM 261 C ARG A 702 -0.673 6.433 10.494 1.00 0.00 C ATOM 262 O ARG A 702 0.416 6.998 10.603 1.00 0.00 O ATOM 263 CB ARG A 702 -2.221 8.342 10.008 1.00 0.00 C ATOM 264 CG ARG A 702 -3.212 9.007 9.058 1.00 0.00 C ATOM 265 CD ARG A 702 -4.611 8.419 9.193 1.00 0.00 C ATOM 266 NE ARG A 702 -5.091 8.461 10.571 1.00 0.00 N ATOM 267 CZ ARG A 702 -6.017 7.638 11.055 1.00 0.00 C ATOM 268 NH1 ARG A 702 -6.561 6.715 10.273 1.00 0.00 N ATOM 269 NH2 ARG A 702 -6.399 7.739 12.320 1.00 0.00 N ATOM 0 H ARG A 702 -3.723 6.388 9.865 1.00 0.00 H new ATOM 0 HA ARG A 702 -1.295 7.063 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 702 -2.687 8.239 10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 702 -1.358 8.996 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 702 -3.247 10.077 9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 702 -2.866 8.888 8.031 1.00 0.00 H new ATOM 0 HD2 ARG A 702 -5.299 8.970 8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 702 -4.606 7.387 8.842 1.00 0.00 H new ATOM 0 HE ARG A 702 -4.694 9.161 11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 702 -6.269 6.636 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 702 -7.271 6.085 10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 702 -5.983 8.448 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 702 -7.109 7.107 12.690 1.00 0.00 H new ATOM 283 N ARG A 703 -0.999 5.343 11.184 1.00 0.00 N ATOM 284 CA ARG A 703 -0.076 4.724 12.131 1.00 0.00 C ATOM 285 C ARG A 703 1.236 4.354 11.448 1.00 0.00 C ATOM 286 O ARG A 703 2.267 4.205 12.104 1.00 0.00 O ATOM 287 CB ARG A 703 -0.713 3.477 12.749 1.00 0.00 C ATOM 288 CG ARG A 703 0.121 2.849 13.855 1.00 0.00 C ATOM 289 CD ARG A 703 -0.568 1.628 14.440 1.00 0.00 C ATOM 290 NE ARG A 703 -1.859 1.964 15.035 1.00 0.00 N ATOM 291 CZ ARG A 703 -2.701 1.061 15.527 1.00 0.00 C ATOM 292 NH1 ARG A 703 -2.395 -0.229 15.490 1.00 0.00 N ATOM 293 NH2 ARG A 703 -3.855 1.449 16.053 1.00 0.00 N ATOM 0 H ARG A 703 -1.899 4.869 11.104 1.00 0.00 H new ATOM 0 HA ARG A 703 0.138 5.445 12.920 1.00 0.00 H new ATOM 0 HB2 ARG A 703 -1.692 3.740 13.149 1.00 0.00 H new ATOM 0 HB3 ARG A 703 -0.877 2.737 11.965 1.00 0.00 H new ATOM 0 HG2 ARG A 703 1.097 2.565 13.461 1.00 0.00 H new ATOM 0 HG3 ARG A 703 0.296 3.582 14.642 1.00 0.00 H new ATOM 0 HD2 ARG A 703 -0.712 0.883 13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 703 0.074 1.176 15.196 1.00 0.00 H new ATOM 0 HE ARG A 703 -2.129 2.947 15.075 1.00 0.00 H new ATOM 0 HH11 ARG A 703 -1.510 -0.532 15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 703 -3.044 -0.918 15.869 1.00 0.00 H new ATOM 0 HH21 ARG A 703 -4.096 2.440 16.080 1.00 0.00 H new ATOM 0 HH22 ARG A 703 -4.502 0.757 16.431 1.00 0.00 H new ATOM 307 N TYR A 704 1.193 4.208 10.126 1.00 0.00 N ATOM 308 CA TYR A 704 2.384 3.861 9.360 1.00 0.00 C ATOM 309 C TYR A 704 3.358 5.034 9.332 1.00 0.00 C ATOM 310 O TYR A 704 4.574 4.847 9.405 1.00 0.00 O ATOM 311 CB TYR A 704 2.003 3.467 7.930 1.00 0.00 C ATOM 312 CG TYR A 704 1.449 2.066 7.803 1.00 0.00 C ATOM 313 CD1 TYR A 704 2.180 0.972 8.247 1.00 0.00 C ATOM 314 CD2 TYR A 704 0.202 1.832 7.226 1.00 0.00 C ATOM 315 CE1 TYR A 704 1.688 -0.311 8.128 1.00 0.00 C ATOM 316 CE2 TYR A 704 -0.294 0.551 7.103 1.00 0.00 C ATOM 317 CZ TYR A 704 0.452 -0.518 7.555 1.00 0.00 C ATOM 318 OH TYR A 704 -0.039 -1.797 7.435 1.00 0.00 O ATOM 0 H TYR A 704 0.349 4.324 9.566 1.00 0.00 H new ATOM 0 HA TYR A 704 2.867 3.012 9.843 1.00 0.00 H new ATOM 0 HB2 TYR A 704 1.263 4.174 7.554 1.00 0.00 H new ATOM 0 HB3 TYR A 704 2.883 3.558 7.293 1.00 0.00 H new ATOM 0 HD1 TYR A 704 3.151 1.129 8.693 1.00 0.00 H new ATOM 0 HD2 TYR A 704 -0.384 2.666 6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 704 2.269 -1.150 8.482 1.00 0.00 H new ATOM 0 HE2 TYR A 704 -1.262 0.385 6.655 1.00 0.00 H new ATOM 0 HH TYR A 704 -0.983 -1.811 7.699 1.00 0.00 H new ATOM 328 N GLY A 705 2.806 6.241 9.230 1.00 0.00 N ATOM 329 CA GLY A 705 3.615 7.448 9.197 1.00 0.00 C ATOM 330 C GLY A 705 4.820 7.358 8.273 1.00 0.00 C ATOM 331 O GLY A 705 5.936 7.668 8.689 1.00 0.00 O ATOM 0 H GLY A 705 1.801 6.405 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 705 2.990 8.284 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 705 3.960 7.670 10.207 1.00 0.00 H new ATOM 335 N PRO A 706 4.639 6.930 7.008 1.00 0.00 N ATOM 336 CA PRO A 706 5.729 6.828 6.051 1.00 0.00 C ATOM 337 C PRO A 706 5.883 8.099 5.222 1.00 0.00 C ATOM 338 O PRO A 706 6.841 8.852 5.401 1.00 0.00 O ATOM 339 CB PRO A 706 5.298 5.652 5.180 1.00 0.00 C ATOM 340 CG PRO A 706 3.800 5.651 5.222 1.00 0.00 C ATOM 341 CD PRO A 706 3.370 6.492 6.407 1.00 0.00 C ATOM 0 HA PRO A 706 6.700 6.690 6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 706 5.662 5.766 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 706 5.702 4.714 5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 706 3.392 6.057 4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 706 3.421 4.633 5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 706 2.762 7.341 6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 706 2.773 5.914 7.112 1.00 0.00 H new ATOM 349 N ALA A 707 4.937 8.330 4.314 1.00 0.00 N ATOM 350 CA ALA A 707 4.960 9.517 3.470 1.00 0.00 C ATOM 351 C ALA A 707 6.232 9.585 2.630 1.00 0.00 C ATOM 352 O ALA A 707 6.779 10.665 2.402 1.00 0.00 O ATOM 353 CB ALA A 707 4.823 10.759 4.333 1.00 0.00 C ATOM 0 H ALA A 707 4.146 7.709 4.146 1.00 0.00 H new ATOM 0 HA ALA A 707 4.119 9.462 2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 707 4.840 11.646 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.880 10.721 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 707 5.650 10.803 5.041 1.00 0.00 H new ATOM 359 N LEU A 708 6.693 8.430 2.162 1.00 0.00 N ATOM 360 CA LEU A 708 7.898 8.366 1.341 1.00 0.00 C ATOM 361 C LEU A 708 7.559 8.507 -0.140 1.00 0.00 C ATOM 362 O LEU A 708 6.444 8.886 -0.498 1.00 0.00 O ATOM 363 CB LEU A 708 8.655 7.056 1.586 1.00 0.00 C ATOM 364 CG LEU A 708 7.781 5.821 1.817 1.00 0.00 C ATOM 365 CD1 LEU A 708 6.782 5.644 0.686 1.00 0.00 C ATOM 366 CD2 LEU A 708 8.651 4.583 1.958 1.00 0.00 C ATOM 0 H LEU A 708 6.252 7.527 2.336 1.00 0.00 H new ATOM 0 HA LEU A 708 8.540 9.199 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 708 9.303 6.866 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 708 9.303 7.188 2.453 1.00 0.00 H new ATOM 0 HG LEU A 708 7.221 5.964 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 708 6.173 4.760 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 708 6.139 6.522 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 708 7.317 5.523 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 708 8.018 3.711 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 708 9.234 4.443 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 708 9.325 4.707 2.805 1.00 0.00 H new ATOM 378 N SER A 709 8.530 8.200 -0.994 1.00 0.00 N ATOM 379 CA SER A 709 8.339 8.296 -2.435 1.00 0.00 C ATOM 380 C SER A 709 8.127 6.919 -3.059 1.00 0.00 C ATOM 381 O SER A 709 8.295 5.892 -2.399 1.00 0.00 O ATOM 382 CB SER A 709 9.545 8.985 -3.071 1.00 0.00 C ATOM 383 OG SER A 709 9.382 9.114 -4.474 1.00 0.00 O ATOM 0 H SER A 709 9.457 7.882 -0.712 1.00 0.00 H new ATOM 0 HA SER A 709 7.443 8.888 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 709 9.680 9.971 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 709 10.448 8.413 -2.858 1.00 0.00 H new ATOM 0 HG SER A 709 10.167 9.560 -4.855 1.00 0.00 H new ATOM 389 N ILE A 710 7.756 6.910 -4.335 1.00 0.00 N ATOM 390 CA ILE A 710 7.510 5.668 -5.064 1.00 0.00 C ATOM 391 C ILE A 710 8.779 4.844 -5.215 1.00 0.00 C ATOM 392 O ILE A 710 8.757 3.622 -5.078 1.00 0.00 O ATOM 393 CB ILE A 710 6.933 5.952 -6.467 1.00 0.00 C ATOM 394 CG1 ILE A 710 5.434 6.237 -6.385 1.00 0.00 C ATOM 395 CG2 ILE A 710 7.199 4.783 -7.405 1.00 0.00 C ATOM 396 CD1 ILE A 710 5.076 7.373 -5.452 1.00 0.00 C ATOM 0 H ILE A 710 7.618 7.755 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 710 6.786 5.102 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 710 7.432 6.835 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 710 5.063 6.469 -7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 710 4.920 5.334 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 710 6.784 5.004 -8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 710 8.274 4.624 -7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 710 6.730 3.883 -7.007 1.00 0.00 H new ATOM 0 HD11 ILE A 710 3.995 7.514 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 710 5.415 7.136 -4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 710 5.560 8.289 -5.791 1.00 0.00 H new ATOM 408 N ASN A 711 9.879 5.517 -5.516 1.00 0.00 N ATOM 409 CA ASN A 711 11.155 4.842 -5.698 1.00 0.00 C ATOM 410 C ASN A 711 11.479 3.963 -4.494 1.00 0.00 C ATOM 411 O ASN A 711 12.296 3.046 -4.580 1.00 0.00 O ATOM 412 CB ASN A 711 12.267 5.863 -5.929 1.00 0.00 C ATOM 413 CG ASN A 711 13.626 5.211 -6.088 1.00 0.00 C ATOM 414 OD1 ASN A 711 13.974 4.863 -7.322 1.00 0.00 O flip ATOM 415 ND2 ASN A 711 14.356 5.022 -5.115 1.00 0.00 N flip ATOM 0 H ASN A 711 9.914 6.529 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 711 11.082 4.201 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 711 12.041 6.447 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 711 12.297 6.559 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 711 14.049 5.305 -4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 711 15.268 4.582 -5.239 1.00 0.00 H new ATOM 422 N GLU A 712 10.827 4.253 -3.375 1.00 0.00 N ATOM 423 CA GLU A 712 11.027 3.496 -2.145 1.00 0.00 C ATOM 424 C GLU A 712 9.940 2.437 -2.003 1.00 0.00 C ATOM 425 O GLU A 712 10.135 1.402 -1.367 1.00 0.00 O ATOM 426 CB GLU A 712 10.995 4.433 -0.935 1.00 0.00 C ATOM 427 CG GLU A 712 11.410 5.858 -1.259 1.00 0.00 C ATOM 428 CD GLU A 712 12.867 5.965 -1.660 1.00 0.00 C ATOM 429 OE1 GLU A 712 13.725 6.065 -0.758 1.00 0.00 O ATOM 430 OE2 GLU A 712 13.151 5.948 -2.876 1.00 0.00 O ATOM 0 H GLU A 712 10.151 5.012 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 712 12.001 3.008 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 712 9.987 4.442 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 712 11.655 4.038 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 712 10.786 6.239 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 712 11.229 6.491 -0.391 1.00 0.00 H new ATOM 437 N LEU A 713 8.790 2.727 -2.601 1.00 0.00 N ATOM 438 CA LEU A 713 7.639 1.832 -2.574 1.00 0.00 C ATOM 439 C LEU A 713 7.986 0.431 -3.071 1.00 0.00 C ATOM 440 O LEU A 713 7.505 -0.563 -2.529 1.00 0.00 O ATOM 441 CB LEU A 713 6.523 2.420 -3.441 1.00 0.00 C ATOM 442 CG LEU A 713 5.239 2.805 -2.706 1.00 0.00 C ATOM 443 CD1 LEU A 713 5.550 3.592 -1.447 1.00 0.00 C ATOM 444 CD2 LEU A 713 4.349 3.628 -3.616 1.00 0.00 C ATOM 0 H LEU A 713 8.629 3.591 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 713 7.312 1.741 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 713 6.910 3.306 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 713 6.272 1.696 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 713 4.721 1.889 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 713 4.620 3.854 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 713 6.165 2.986 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 713 6.088 4.502 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 713 3.436 3.898 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.875 4.534 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 713 4.095 3.045 -4.501 1.00 0.00 H new ATOM 456 N SER A 714 8.814 0.357 -4.105 1.00 0.00 N ATOM 457 CA SER A 714 9.209 -0.927 -4.676 1.00 0.00 C ATOM 458 C SER A 714 10.032 -1.747 -3.684 1.00 0.00 C ATOM 459 O SER A 714 10.224 -2.949 -3.870 1.00 0.00 O ATOM 460 CB SER A 714 9.996 -0.710 -5.969 1.00 0.00 C ATOM 461 OG SER A 714 10.470 -1.940 -6.490 1.00 0.00 O ATOM 0 H SER A 714 9.225 1.169 -4.566 1.00 0.00 H new ATOM 0 HA SER A 714 8.302 -1.488 -4.902 1.00 0.00 H new ATOM 0 HB2 SER A 714 9.361 -0.219 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 714 10.837 -0.044 -5.779 1.00 0.00 H new ATOM 0 HG SER A 714 10.969 -1.774 -7.317 1.00 0.00 H new ATOM 467 N ASN A 715 10.512 -1.092 -2.633 1.00 0.00 N ATOM 468 CA ASN A 715 11.312 -1.764 -1.613 1.00 0.00 C ATOM 469 C ASN A 715 10.431 -2.258 -0.466 1.00 0.00 C ATOM 470 O ASN A 715 10.902 -2.945 0.441 1.00 0.00 O ATOM 471 CB ASN A 715 12.387 -0.818 -1.074 1.00 0.00 C ATOM 472 CG ASN A 715 13.302 -0.303 -2.169 1.00 0.00 C ATOM 473 OD1 ASN A 715 13.519 -0.972 -3.179 1.00 0.00 O ATOM 474 ND2 ASN A 715 13.847 0.892 -1.972 1.00 0.00 N ATOM 0 H ASN A 715 10.362 -0.097 -2.464 1.00 0.00 H new ATOM 0 HA ASN A 715 11.793 -2.626 -2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 715 11.909 0.026 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 715 12.981 -1.337 -0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 715 14.473 1.289 -2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 715 13.640 1.413 -1.120 1.00 0.00 H new ATOM 481 N LEU A 716 9.152 -1.903 -0.517 1.00 0.00 N ATOM 482 CA LEU A 716 8.195 -2.302 0.513 1.00 0.00 C ATOM 483 C LEU A 716 7.981 -3.809 0.525 1.00 0.00 C ATOM 484 O LEU A 716 8.099 -4.477 -0.502 1.00 0.00 O ATOM 485 CB LEU A 716 6.853 -1.607 0.288 1.00 0.00 C ATOM 486 CG LEU A 716 6.845 -0.104 0.565 1.00 0.00 C ATOM 487 CD1 LEU A 716 5.592 0.534 -0.008 1.00 0.00 C ATOM 488 CD2 LEU A 716 6.938 0.160 2.059 1.00 0.00 C ATOM 0 H LEU A 716 8.751 -1.337 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 716 8.610 -2.003 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 716 6.545 -1.772 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 716 6.105 -2.081 0.923 1.00 0.00 H new ATOM 0 HG LEU A 716 7.713 0.342 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 716 5.602 1.604 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 716 5.561 0.372 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 716 4.712 0.084 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 716 6.931 1.235 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 716 6.087 -0.298 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 716 7.863 -0.267 2.447 1.00 0.00 H new ATOM 500 N ALA A 717 7.664 -4.334 1.703 1.00 0.00 N ATOM 501 CA ALA A 717 7.405 -5.755 1.864 1.00 0.00 C ATOM 502 C ALA A 717 5.968 -6.067 1.470 1.00 0.00 C ATOM 503 O ALA A 717 5.043 -5.371 1.883 1.00 0.00 O ATOM 504 CB ALA A 717 7.664 -6.176 3.300 1.00 0.00 C ATOM 0 H ALA A 717 7.581 -3.792 2.563 1.00 0.00 H new ATOM 0 HA ALA A 717 8.077 -6.315 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 717 7.466 -7.243 3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 717 8.703 -5.972 3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 717 7.008 -5.616 3.967 1.00 0.00 H new ATOM 510 N LYS A 718 5.780 -7.107 0.669 1.00 0.00 N ATOM 511 CA LYS A 718 4.444 -7.476 0.225 1.00 0.00 C ATOM 512 C LYS A 718 3.519 -7.743 1.403 1.00 0.00 C ATOM 513 O LYS A 718 3.962 -8.128 2.485 1.00 0.00 O ATOM 514 CB LYS A 718 4.492 -8.691 -0.693 1.00 0.00 C ATOM 515 CG LYS A 718 4.160 -8.354 -2.134 1.00 0.00 C ATOM 516 CD LYS A 718 5.248 -7.508 -2.778 1.00 0.00 C ATOM 517 CE LYS A 718 4.820 -6.987 -4.141 1.00 0.00 C ATOM 518 NZ LYS A 718 5.896 -6.192 -4.795 1.00 0.00 N ATOM 0 H LYS A 718 6.528 -7.704 0.317 1.00 0.00 H new ATOM 0 HA LYS A 718 4.043 -6.631 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 718 5.487 -9.135 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 718 3.791 -9.443 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 718 4.030 -9.275 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 718 3.211 -7.819 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 718 5.490 -6.668 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 718 6.156 -8.101 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 718 4.548 -7.826 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 718 3.929 -6.369 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 5.564 -5.855 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 6.138 -5.377 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 6.738 -6.788 -4.925 1.00 0.00 H new ATOM 532 N GLY A 719 2.226 -7.536 1.176 1.00 0.00 N ATOM 533 CA GLY A 719 1.245 -7.743 2.222 1.00 0.00 C ATOM 534 C GLY A 719 1.167 -6.563 3.173 1.00 0.00 C ATOM 535 O GLY A 719 0.335 -6.535 4.079 1.00 0.00 O ATOM 0 H GLY A 719 1.841 -7.228 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 719 0.266 -7.911 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 719 1.497 -8.643 2.782 1.00 0.00 H new ATOM 539 N GLU A 720 2.046 -5.588 2.958 1.00 0.00 N ATOM 540 CA GLU A 720 2.099 -4.387 3.790 1.00 0.00 C ATOM 541 C GLU A 720 1.565 -3.171 3.041 1.00 0.00 C ATOM 542 O GLU A 720 1.283 -3.240 1.844 1.00 0.00 O ATOM 543 CB GLU A 720 3.533 -4.126 4.248 1.00 0.00 C ATOM 544 CG GLU A 720 4.028 -5.117 5.288 1.00 0.00 C ATOM 545 CD GLU A 720 3.235 -5.054 6.578 1.00 0.00 C ATOM 546 OE1 GLU A 720 3.541 -4.185 7.422 1.00 0.00 O ATOM 547 OE2 GLU A 720 2.306 -5.873 6.747 1.00 0.00 O ATOM 0 H GLU A 720 2.737 -5.606 2.208 1.00 0.00 H new ATOM 0 HA GLU A 720 1.466 -4.555 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 720 4.194 -4.160 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.597 -3.118 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 720 3.970 -6.126 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 720 5.078 -4.919 5.502 1.00 0.00 H new ATOM 554 N LYS A 721 1.403 -2.063 3.757 1.00 0.00 N ATOM 555 CA LYS A 721 0.909 -0.833 3.151 1.00 0.00 C ATOM 556 C LYS A 721 1.894 0.313 3.333 1.00 0.00 C ATOM 557 O LYS A 721 2.922 0.164 3.995 1.00 0.00 O ATOM 558 CB LYS A 721 -0.433 -0.435 3.757 1.00 0.00 C ATOM 559 CG LYS A 721 -1.615 -1.198 3.193 1.00 0.00 C ATOM 560 CD LYS A 721 -2.577 -1.593 4.296 1.00 0.00 C ATOM 561 CE LYS A 721 -1.969 -2.658 5.198 1.00 0.00 C ATOM 562 NZ LYS A 721 -2.910 -3.085 6.271 1.00 0.00 N ATOM 0 H LYS A 721 1.606 -1.992 4.754 1.00 0.00 H new ATOM 0 HA LYS A 721 0.788 -1.027 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 721 -0.394 -0.591 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 721 -0.591 0.631 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 721 -2.132 -0.583 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 721 -1.264 -2.090 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 721 -2.836 -0.715 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 721 -3.503 -1.967 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 721 -1.687 -3.523 4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 721 -1.055 -2.272 5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 -2.456 -3.811 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 -3.160 -2.265 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 -3.772 -3.478 5.841 1.00 0.00 H new ATOM 576 N ALA A 722 1.570 1.458 2.736 1.00 0.00 N ATOM 577 CA ALA A 722 2.423 2.641 2.844 1.00 0.00 C ATOM 578 C ALA A 722 1.723 3.878 2.304 1.00 0.00 C ATOM 579 O ALA A 722 1.297 3.906 1.151 1.00 0.00 O ATOM 580 CB ALA A 722 3.734 2.421 2.106 1.00 0.00 C ATOM 0 H ALA A 722 0.728 1.592 2.176 1.00 0.00 H new ATOM 0 HA ALA A 722 2.633 2.803 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 722 4.356 3.311 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 722 4.256 1.567 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 722 3.531 2.226 1.053 1.00 0.00 H new ATOM 586 N ASN A 723 1.662 4.918 3.132 1.00 0.00 N ATOM 587 CA ASN A 723 1.006 6.166 2.760 1.00 0.00 C ATOM 588 C ASN A 723 1.832 6.975 1.774 1.00 0.00 C ATOM 589 O ASN A 723 2.908 7.474 2.103 1.00 0.00 O ATOM 590 CB ASN A 723 0.717 7.005 4.006 1.00 0.00 C ATOM 591 CG ASN A 723 -0.244 6.319 4.955 1.00 0.00 C ATOM 592 OD1 ASN A 723 -1.452 6.546 4.903 1.00 0.00 O ATOM 593 ND2 ASN A 723 0.288 5.471 5.828 1.00 0.00 N ATOM 0 H ASN A 723 2.062 4.919 4.070 1.00 0.00 H new ATOM 0 HA ASN A 723 0.068 5.904 2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 723 1.652 7.211 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 723 0.301 7.967 3.705 1.00 0.00 H new ATOM 0 HD21 ASN A 723 -0.311 4.978 6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 723 1.296 5.313 5.836 1.00 0.00 H new ATOM 600 N VAL A 724 1.311 7.093 0.560 1.00 0.00 N ATOM 601 CA VAL A 724 1.965 7.858 -0.485 1.00 0.00 C ATOM 602 C VAL A 724 0.966 8.747 -1.210 1.00 0.00 C ATOM 603 O VAL A 724 -0.192 8.374 -1.402 1.00 0.00 O ATOM 604 CB VAL A 724 2.685 6.958 -1.503 1.00 0.00 C ATOM 605 CG1 VAL A 724 3.945 6.384 -0.888 1.00 0.00 C ATOM 606 CG2 VAL A 724 1.772 5.844 -1.992 1.00 0.00 C ATOM 0 H VAL A 724 0.430 6.664 0.277 1.00 0.00 H new ATOM 0 HA VAL A 724 2.715 8.478 0.006 1.00 0.00 H new ATOM 0 HB VAL A 724 2.959 7.566 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 724 4.448 5.748 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 724 4.610 7.197 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 724 3.685 5.794 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 724 2.308 5.224 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 724 1.460 5.232 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.894 6.277 -2.470 1.00 0.00 H new ATOM 616 N LEU A 725 1.421 9.929 -1.601 1.00 0.00 N ATOM 617 CA LEU A 725 0.568 10.880 -2.300 1.00 0.00 C ATOM 618 C LEU A 725 0.311 10.418 -3.726 1.00 0.00 C ATOM 619 O LEU A 725 1.240 10.068 -4.454 1.00 0.00 O ATOM 620 CB LEU A 725 1.209 12.268 -2.321 1.00 0.00 C ATOM 621 CG LEU A 725 2.450 12.426 -1.445 1.00 0.00 C ATOM 622 CD1 LEU A 725 3.249 13.649 -1.866 1.00 0.00 C ATOM 623 CD2 LEU A 725 2.054 12.521 0.022 1.00 0.00 C ATOM 0 H LEU A 725 2.376 10.252 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 725 -0.380 10.936 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 725 1.477 12.511 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.465 12.999 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 725 3.080 11.546 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 725 4.129 13.745 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 725 3.561 13.540 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 725 2.630 14.540 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 725 2.949 12.633 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 725 1.404 13.384 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.525 11.614 0.316 1.00 0.00 H new ATOM 635 N ILE A 726 -0.954 10.419 -4.118 1.00 0.00 N ATOM 636 CA ILE A 726 -1.331 10.000 -5.459 1.00 0.00 C ATOM 637 C ILE A 726 -1.485 11.198 -6.386 1.00 0.00 C ATOM 638 O ILE A 726 -1.883 11.061 -7.542 1.00 0.00 O ATOM 639 CB ILE A 726 -2.639 9.196 -5.448 1.00 0.00 C ATOM 640 CG1 ILE A 726 -3.696 9.905 -4.597 1.00 0.00 C ATOM 641 CG2 ILE A 726 -2.378 7.788 -4.933 1.00 0.00 C ATOM 642 CD1 ILE A 726 -5.028 9.186 -4.549 1.00 0.00 C ATOM 0 H ILE A 726 -1.735 10.705 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 726 -0.528 9.362 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 726 -3.021 9.125 -6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 726 -3.317 10.015 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 726 -3.851 10.910 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 726 -3.311 7.224 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 726 -1.657 7.291 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 726 -1.980 7.839 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -5.724 9.750 -3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -5.431 9.099 -5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 726 -4.889 8.191 -4.127 1.00 0.00 H new ATOM 654 N GLY A 727 -1.160 12.371 -5.861 1.00 0.00 N ATOM 655 CA GLY A 727 -1.257 13.594 -6.637 1.00 0.00 C ATOM 656 C GLY A 727 -0.834 14.810 -5.839 1.00 0.00 C ATOM 657 O GLY A 727 0.347 14.983 -5.537 1.00 0.00 O ATOM 0 H GLY A 727 -0.829 12.499 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 727 -0.632 13.509 -7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 727 -2.283 13.725 -6.980 1.00 0.00 H new ATOM 661 N GLN A 728 -1.801 15.657 -5.495 1.00 0.00 N ATOM 662 CA GLN A 728 -1.525 16.860 -4.721 1.00 0.00 C ATOM 663 C GLN A 728 -2.615 17.092 -3.680 1.00 0.00 C ATOM 664 O GLN A 728 -3.730 17.496 -4.013 1.00 0.00 O ATOM 665 CB GLN A 728 -1.414 18.079 -5.638 1.00 0.00 C ATOM 666 CG GLN A 728 -0.983 19.343 -4.912 1.00 0.00 C ATOM 667 CD GLN A 728 -0.886 20.544 -5.833 1.00 0.00 C ATOM 668 OE1 GLN A 728 -1.608 20.641 -6.826 1.00 0.00 O ATOM 669 NE2 GLN A 728 0.013 21.466 -5.509 1.00 0.00 N ATOM 0 H GLN A 728 -2.783 15.531 -5.741 1.00 0.00 H new ATOM 0 HA GLN A 728 -0.574 16.719 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 728 -0.699 17.863 -6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 728 -2.378 18.254 -6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 728 -1.694 19.559 -4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 728 -0.015 19.174 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 728 0.590 21.345 -4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 728 0.126 22.295 -6.092 1.00 0.00 H new ATOM 678 N GLY A 729 -2.284 16.833 -2.419 1.00 0.00 N ATOM 679 CA GLY A 729 -3.245 17.017 -1.348 1.00 0.00 C ATOM 680 C GLY A 729 -4.080 15.776 -1.099 1.00 0.00 C ATOM 681 O GLY A 729 -5.221 15.868 -0.645 1.00 0.00 O ATOM 0 H GLY A 729 -1.368 16.499 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 729 -2.718 17.286 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 729 -3.903 17.851 -1.593 1.00 0.00 H new ATOM 685 N ASP A 730 -3.510 14.613 -1.400 1.00 0.00 N ATOM 686 CA ASP A 730 -4.205 13.345 -1.208 1.00 0.00 C ATOM 687 C ASP A 730 -3.251 12.279 -0.678 1.00 0.00 C ATOM 688 O ASP A 730 -2.504 11.661 -1.440 1.00 0.00 O ATOM 689 CB ASP A 730 -4.842 12.883 -2.519 1.00 0.00 C ATOM 690 CG ASP A 730 -3.975 13.190 -3.726 1.00 0.00 C ATOM 691 OD1 ASP A 730 -2.838 12.679 -3.786 1.00 0.00 O ATOM 692 OD2 ASP A 730 -4.433 13.946 -4.608 1.00 0.00 O ATOM 0 H ASP A 730 -2.567 14.523 -1.778 1.00 0.00 H new ATOM 0 HA ASP A 730 -4.993 13.496 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -5.026 11.810 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -5.811 13.368 -2.639 1.00 0.00 H new ATOM 697 N VAL A 731 -3.285 12.070 0.634 1.00 0.00 N ATOM 698 CA VAL A 731 -2.426 11.086 1.278 1.00 0.00 C ATOM 699 C VAL A 731 -3.157 9.764 1.469 1.00 0.00 C ATOM 700 O VAL A 731 -4.083 9.663 2.274 1.00 0.00 O ATOM 701 CB VAL A 731 -1.934 11.592 2.647 1.00 0.00 C ATOM 702 CG1 VAL A 731 -1.021 10.567 3.302 1.00 0.00 C ATOM 703 CG2 VAL A 731 -1.225 12.930 2.498 1.00 0.00 C ATOM 0 H VAL A 731 -3.901 12.572 1.273 1.00 0.00 H new ATOM 0 HA VAL A 731 -1.568 10.931 0.624 1.00 0.00 H new ATOM 0 HB VAL A 731 -2.801 11.735 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 731 -0.685 10.944 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 731 -1.566 9.634 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 731 -0.157 10.387 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 731 -0.884 13.272 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 731 -0.368 12.816 1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 731 -1.914 13.662 2.077 1.00 0.00 H new ATOM 713 N VAL A 732 -2.735 8.751 0.720 1.00 0.00 N ATOM 714 CA VAL A 732 -3.345 7.431 0.808 1.00 0.00 C ATOM 715 C VAL A 732 -2.286 6.336 0.743 1.00 0.00 C ATOM 716 O VAL A 732 -1.325 6.438 -0.016 1.00 0.00 O ATOM 717 CB VAL A 732 -4.366 7.206 -0.327 1.00 0.00 C ATOM 718 CG1 VAL A 732 -5.513 8.199 -0.226 1.00 0.00 C ATOM 719 CG2 VAL A 732 -3.688 7.304 -1.685 1.00 0.00 C ATOM 0 H VAL A 732 -1.973 8.820 0.045 1.00 0.00 H new ATOM 0 HA VAL A 732 -3.861 7.383 1.767 1.00 0.00 H new ATOM 0 HB VAL A 732 -4.777 6.202 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 732 -6.220 8.022 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 732 -6.019 8.074 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 732 -5.123 9.214 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 732 -4.425 7.142 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 732 -3.245 8.293 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 732 -2.908 6.547 -1.758 1.00 0.00 H new ATOM 729 N LEU A 733 -2.476 5.284 1.530 1.00 0.00 N ATOM 730 CA LEU A 733 -1.532 4.172 1.556 1.00 0.00 C ATOM 731 C LEU A 733 -1.871 3.156 0.484 1.00 0.00 C ATOM 732 O LEU A 733 -2.999 3.112 -0.006 1.00 0.00 O ATOM 733 CB LEU A 733 -1.472 3.490 2.934 1.00 0.00 C ATOM 734 CG LEU A 733 -2.816 3.129 3.564 1.00 0.00 C ATOM 735 CD1 LEU A 733 -2.638 2.055 4.625 1.00 0.00 C ATOM 736 CD2 LEU A 733 -3.462 4.354 4.171 1.00 0.00 C ATOM 0 H LEU A 733 -3.273 5.177 2.158 1.00 0.00 H new ATOM 0 HA LEU A 733 -0.545 4.589 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -0.881 2.579 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -0.937 4.148 3.619 1.00 0.00 H new ATOM 0 HG LEU A 733 -3.466 2.741 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -3.606 1.811 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -2.210 1.162 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -1.970 2.421 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -4.418 4.079 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -2.809 4.766 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -3.624 5.102 3.395 1.00 0.00 H new ATOM 748 N VAL A 734 -0.880 2.361 0.094 1.00 0.00 N ATOM 749 CA VAL A 734 -1.085 1.360 -0.929 1.00 0.00 C ATOM 750 C VAL A 734 -0.920 -0.028 -0.371 1.00 0.00 C ATOM 751 O VAL A 734 -0.406 -0.204 0.727 1.00 0.00 O ATOM 752 CB VAL A 734 -0.127 1.536 -2.111 1.00 0.00 C ATOM 753 CG1 VAL A 734 -0.920 1.928 -3.334 1.00 0.00 C ATOM 754 CG2 VAL A 734 0.947 2.568 -1.799 1.00 0.00 C ATOM 0 H VAL A 734 0.066 2.395 0.473 1.00 0.00 H new ATOM 0 HA VAL A 734 -2.106 1.494 -1.286 1.00 0.00 H new ATOM 0 HB VAL A 734 0.384 0.592 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -0.245 2.055 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -1.645 1.147 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -1.443 2.865 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 734 1.612 2.671 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 734 0.478 3.528 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 734 1.521 2.244 -0.931 1.00 0.00 H new ATOM 764 N MET A 735 -1.352 -1.005 -1.148 1.00 0.00 N ATOM 765 CA MET A 735 -1.267 -2.395 -0.754 1.00 0.00 C ATOM 766 C MET A 735 -0.515 -3.192 -1.803 1.00 0.00 C ATOM 767 O MET A 735 -0.970 -3.343 -2.934 1.00 0.00 O ATOM 768 CB MET A 735 -2.666 -2.961 -0.563 1.00 0.00 C ATOM 769 CG MET A 735 -2.893 -3.536 0.823 1.00 0.00 C ATOM 770 SD MET A 735 -2.831 -5.339 0.854 1.00 0.00 S ATOM 771 CE MET A 735 -1.138 -5.628 0.353 1.00 0.00 C ATOM 0 H MET A 735 -1.770 -0.855 -2.066 1.00 0.00 H new ATOM 0 HA MET A 735 -0.724 -2.466 0.189 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.398 -2.174 -0.748 1.00 0.00 H new ATOM 0 HB3 MET A 735 -2.841 -3.740 -1.306 1.00 0.00 H new ATOM 0 HG2 MET A 735 -2.139 -3.140 1.503 1.00 0.00 H new ATOM 0 HG3 MET A 735 -3.863 -3.204 1.194 1.00 0.00 H new ATOM 0 HE1 MET A 735 -0.788 -6.569 0.778 1.00 0.00 H new ATOM 0 HE2 MET A 735 -1.084 -5.678 -0.734 1.00 0.00 H new ATOM 0 HE3 MET A 735 -0.509 -4.813 0.710 1.00 0.00 H new ATOM 781 N LYS A 736 0.642 -3.701 -1.414 1.00 0.00 N ATOM 782 CA LYS A 736 1.485 -4.470 -2.320 1.00 0.00 C ATOM 783 C LYS A 736 0.735 -5.661 -2.923 1.00 0.00 C ATOM 784 O LYS A 736 -0.439 -5.885 -2.630 1.00 0.00 O ATOM 785 CB LYS A 736 2.739 -4.939 -1.588 1.00 0.00 C ATOM 786 CG LYS A 736 3.122 -4.043 -0.419 1.00 0.00 C ATOM 787 CD LYS A 736 3.603 -2.691 -0.897 1.00 0.00 C ATOM 788 CE LYS A 736 3.012 -1.570 -0.062 1.00 0.00 C ATOM 789 NZ LYS A 736 3.526 -1.592 1.334 1.00 0.00 N ATOM 0 H LYS A 736 1.022 -3.596 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 736 1.773 -3.820 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 736 2.580 -5.954 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 736 3.569 -4.980 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.263 -3.914 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 736 3.905 -4.523 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 736 4.691 -2.651 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 736 3.327 -2.553 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 736 3.249 -0.610 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 736 1.926 -1.659 -0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 2.784 -1.944 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 4.355 -2.217 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 3.799 -0.630 1.619 1.00 0.00 H new ATOM 803 N ARG A 737 1.424 -6.418 -3.771 1.00 0.00 N ATOM 804 CA ARG A 737 0.825 -7.572 -4.435 1.00 0.00 C ATOM 805 C ARG A 737 0.279 -8.593 -3.446 1.00 0.00 C ATOM 806 O ARG A 737 -0.934 -8.793 -3.365 1.00 0.00 O ATOM 807 CB ARG A 737 1.845 -8.252 -5.350 1.00 0.00 C ATOM 808 CG ARG A 737 2.311 -7.370 -6.495 1.00 0.00 C ATOM 809 CD ARG A 737 3.327 -8.082 -7.372 1.00 0.00 C ATOM 810 NE ARG A 737 3.798 -7.229 -8.461 1.00 0.00 N ATOM 811 CZ ARG A 737 4.691 -7.613 -9.367 1.00 0.00 C ATOM 812 NH1 ARG A 737 5.211 -8.832 -9.320 1.00 0.00 N ATOM 813 NH2 ARG A 737 5.067 -6.775 -10.324 1.00 0.00 N ATOM 0 H ARG A 737 2.400 -6.253 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.011 -7.194 -5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 737 2.709 -8.553 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 737 1.406 -9.162 -5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 737 1.453 -7.073 -7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 737 2.751 -6.456 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 737 4.175 -8.396 -6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 737 2.880 -8.986 -7.786 1.00 0.00 H new ATOM 0 HE ARG A 737 3.419 -6.284 -8.530 1.00 0.00 H new ATOM 0 HH11 ARG A 737 4.926 -9.480 -8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 737 5.896 -9.121 -10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 737 4.671 -5.836 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 737 5.752 -7.070 -11.020 1.00 0.00 H new ATOM 827 N LYS A 738 1.186 -9.239 -2.715 1.00 0.00 N ATOM 828 CA LYS A 738 0.828 -10.273 -1.747 1.00 0.00 C ATOM 829 C LYS A 738 0.485 -11.571 -2.472 1.00 0.00 C ATOM 830 O LYS A 738 0.760 -12.665 -1.976 1.00 0.00 O ATOM 831 CB LYS A 738 -0.340 -9.834 -0.855 1.00 0.00 C ATOM 832 CG LYS A 738 -0.757 -10.890 0.153 1.00 0.00 C ATOM 833 CD LYS A 738 0.371 -11.216 1.116 1.00 0.00 C ATOM 834 CE LYS A 738 0.090 -12.495 1.882 1.00 0.00 C ATOM 835 NZ LYS A 738 0.043 -13.680 0.983 1.00 0.00 N ATOM 0 H LYS A 738 2.188 -9.060 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 738 1.690 -10.440 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 738 -0.060 -8.925 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 738 -1.195 -9.585 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 738 -1.624 -10.538 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 738 -1.062 -11.795 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 738 1.305 -11.318 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 738 0.503 -10.392 1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 738 0.861 -12.643 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 738 -0.859 -12.401 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 738 -0.926 -14.058 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 738 0.331 -13.400 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 738 0.690 -14.412 1.339 1.00 0.00 H new ATOM 849 N ARG A 739 -0.115 -11.436 -3.652 1.00 0.00 N ATOM 850 CA ARG A 739 -0.485 -12.584 -4.469 1.00 0.00 C ATOM 851 C ARG A 739 -0.947 -12.130 -5.853 1.00 0.00 C ATOM 852 O ARG A 739 -1.555 -11.068 -5.994 1.00 0.00 O ATOM 853 CB ARG A 739 -1.587 -13.396 -3.784 1.00 0.00 C ATOM 854 CG ARG A 739 -1.339 -14.898 -3.798 1.00 0.00 C ATOM 855 CD ARG A 739 -1.419 -15.470 -5.204 1.00 0.00 C ATOM 856 NE ARG A 739 -1.207 -16.915 -5.218 1.00 0.00 N ATOM 857 CZ ARG A 739 -1.105 -17.637 -6.330 1.00 0.00 C ATOM 858 NH1 ARG A 739 -1.199 -17.051 -7.517 1.00 0.00 N ATOM 859 NH2 ARG A 739 -0.910 -18.946 -6.257 1.00 0.00 N ATOM 0 H ARG A 739 -0.356 -10.535 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 739 0.394 -13.218 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 739 -1.683 -13.062 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 739 -2.538 -13.189 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 739 -0.356 -15.108 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 739 -2.072 -15.393 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 739 -2.395 -15.242 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 739 -0.673 -14.988 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 739 -1.133 -17.398 -4.323 1.00 0.00 H new ATOM 0 HH11 ARG A 739 -1.350 -16.044 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 739 -1.120 -17.608 -8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 739 -0.838 -19.401 -5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 739 -0.832 -19.498 -7.111 1.00 0.00 H new ATOM 873 N ASP A 740 -0.648 -12.942 -6.868 1.00 0.00 N ATOM 874 CA ASP A 740 -1.024 -12.635 -8.249 1.00 0.00 C ATOM 875 C ASP A 740 -0.273 -11.407 -8.758 1.00 0.00 C ATOM 876 O ASP A 740 0.156 -10.562 -7.972 1.00 0.00 O ATOM 877 CB ASP A 740 -2.535 -12.416 -8.364 1.00 0.00 C ATOM 878 CG ASP A 740 -2.973 -12.132 -9.787 1.00 0.00 C ATOM 879 OD1 ASP A 740 -3.243 -13.099 -10.530 1.00 0.00 O ATOM 880 OD2 ASP A 740 -3.047 -10.941 -10.159 1.00 0.00 O ATOM 0 H ASP A 740 -0.144 -13.822 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 740 -0.748 -13.489 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 740 -3.056 -13.300 -7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 740 -2.828 -11.584 -7.724 1.00 0.00 H new ATOM 885 N SER A 741 -0.115 -11.312 -10.076 1.00 0.00 N ATOM 886 CA SER A 741 0.590 -10.184 -10.677 1.00 0.00 C ATOM 887 C SER A 741 0.029 -9.841 -12.053 1.00 0.00 C ATOM 888 O SER A 741 0.154 -10.616 -13.000 1.00 0.00 O ATOM 889 CB SER A 741 2.085 -10.489 -10.789 1.00 0.00 C ATOM 890 OG SER A 741 2.780 -9.415 -11.400 1.00 0.00 O ATOM 0 H SER A 741 -0.464 -11.999 -10.745 1.00 0.00 H new ATOM 0 HA SER A 741 0.444 -9.322 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 741 2.497 -10.675 -9.797 1.00 0.00 H new ATOM 0 HB3 SER A 741 2.231 -11.399 -11.371 1.00 0.00 H new ATOM 0 HG SER A 741 3.734 -9.634 -11.459 1.00 0.00 H new ATOM 896 N SER A 742 -0.586 -8.668 -12.146 1.00 0.00 N ATOM 897 CA SER A 742 -1.166 -8.190 -13.396 1.00 0.00 C ATOM 898 C SER A 742 -1.379 -6.692 -13.328 1.00 0.00 C ATOM 899 O SER A 742 -1.145 -5.975 -14.300 1.00 0.00 O ATOM 900 CB SER A 742 -2.492 -8.898 -13.687 1.00 0.00 C ATOM 901 OG SER A 742 -2.307 -10.296 -13.830 1.00 0.00 O ATOM 0 H SER A 742 -0.697 -8.024 -11.362 1.00 0.00 H new ATOM 0 HA SER A 742 -0.473 -8.416 -14.206 1.00 0.00 H new ATOM 0 HB2 SER A 742 -3.196 -8.703 -12.878 1.00 0.00 H new ATOM 0 HB3 SER A 742 -2.932 -8.492 -14.598 1.00 0.00 H new ATOM 0 HG SER A 742 -1.351 -10.492 -13.923 1.00 0.00 H new ATOM 907 N ILE A 743 -1.815 -6.229 -12.166 1.00 0.00 N ATOM 908 CA ILE A 743 -2.054 -4.823 -11.952 1.00 0.00 C ATOM 909 C ILE A 743 -2.483 -4.561 -10.521 1.00 0.00 C ATOM 910 O ILE A 743 -2.459 -3.424 -10.050 1.00 0.00 O ATOM 911 CB ILE A 743 -3.114 -4.283 -12.924 1.00 0.00 C ATOM 912 CG1 ILE A 743 -2.896 -2.787 -13.097 1.00 0.00 C ATOM 913 CG2 ILE A 743 -4.517 -4.603 -12.419 1.00 0.00 C ATOM 914 CD1 ILE A 743 -4.115 -2.016 -13.567 1.00 0.00 C ATOM 0 H ILE A 743 -2.010 -6.817 -11.356 1.00 0.00 H new ATOM 0 HA ILE A 743 -1.117 -4.300 -12.141 1.00 0.00 H new ATOM 0 HB ILE A 743 -3.015 -4.765 -13.896 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -2.564 -2.370 -12.146 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -2.088 -2.632 -13.812 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -5.254 -4.213 -13.121 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -4.635 -5.683 -12.332 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -4.666 -4.142 -11.442 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -3.863 -0.960 -13.661 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -4.437 -2.400 -14.535 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -4.921 -2.134 -12.843 1.00 0.00 H new ATOM 926 N LEU A 744 -2.870 -5.625 -9.839 1.00 0.00 N ATOM 927 CA LEU A 744 -3.299 -5.532 -8.457 1.00 0.00 C ATOM 928 C LEU A 744 -4.421 -4.513 -8.288 1.00 0.00 C ATOM 929 O LEU A 744 -4.382 -3.680 -7.383 1.00 0.00 O ATOM 930 CB LEU A 744 -2.108 -5.177 -7.561 1.00 0.00 C ATOM 931 CG LEU A 744 -1.493 -6.347 -6.794 1.00 0.00 C ATOM 932 CD1 LEU A 744 -2.395 -6.761 -5.638 1.00 0.00 C ATOM 933 CD2 LEU A 744 -1.232 -7.529 -7.719 1.00 0.00 C ATOM 0 H LEU A 744 -2.895 -6.569 -10.224 1.00 0.00 H new ATOM 0 HA LEU A 744 -3.691 -6.504 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 744 -1.333 -4.722 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 744 -2.428 -4.422 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 744 -0.536 -6.019 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 744 -1.941 -7.595 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 744 -2.523 -5.920 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 744 -3.367 -7.065 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 744 -0.794 -8.348 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 744 -2.172 -7.858 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 744 -0.543 -7.228 -8.508 1.00 0.00 H new ATOM 945 N THR A 745 -5.421 -4.584 -9.165 1.00 0.00 N ATOM 946 CA THR A 745 -6.563 -3.673 -9.110 1.00 0.00 C ATOM 947 C THR A 745 -7.598 -4.013 -10.174 1.00 0.00 C ATOM 948 O THR A 745 -7.318 -4.757 -11.114 1.00 0.00 O ATOM 949 CB THR A 745 -6.142 -2.204 -9.288 1.00 0.00 C ATOM 950 OG1 THR A 745 -4.790 -2.128 -9.756 1.00 0.00 O ATOM 951 CG2 THR A 745 -6.283 -1.442 -7.979 1.00 0.00 C ATOM 0 H THR A 745 -5.463 -5.264 -9.924 1.00 0.00 H new ATOM 0 HA THR A 745 -6.999 -3.799 -8.119 1.00 0.00 H new ATOM 0 HB THR A 745 -6.800 -1.747 -10.028 1.00 0.00 H new ATOM 0 HG1 THR A 745 -4.512 -1.189 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 745 -5.980 -0.405 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 745 -7.322 -1.473 -7.650 1.00 0.00 H new ATOM 0 HG23 THR A 745 -5.648 -1.901 -7.221 1.00 0.00 H new ATOM 959 N ASP A 746 -8.795 -3.454 -10.019 1.00 0.00 N ATOM 960 CA ASP A 746 -9.881 -3.691 -10.963 1.00 0.00 C ATOM 961 C ASP A 746 -10.830 -2.496 -11.016 1.00 0.00 C ATOM 962 O ASP A 746 -11.663 -2.395 -11.916 1.00 0.00 O ATOM 963 CB ASP A 746 -10.659 -4.951 -10.574 1.00 0.00 C ATOM 964 CG ASP A 746 -9.784 -6.189 -10.538 1.00 0.00 C ATOM 965 OD1 ASP A 746 -9.619 -6.830 -11.597 1.00 0.00 O ATOM 966 OD2 ASP A 746 -9.263 -6.517 -9.451 1.00 0.00 O ATOM 0 H ASP A 746 -9.037 -2.833 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 746 -9.442 -3.830 -11.951 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -11.115 -4.804 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -11.472 -5.105 -11.284 1.00 0.00 H new ATOM 971 N SER A 747 -10.699 -1.591 -10.047 1.00 0.00 N ATOM 972 CA SER A 747 -11.554 -0.408 -9.990 1.00 0.00 C ATOM 973 C SER A 747 -10.970 0.662 -9.075 1.00 0.00 C ATOM 974 O SER A 747 -10.557 0.375 -7.951 1.00 0.00 O ATOM 975 CB SER A 747 -12.954 -0.795 -9.509 1.00 0.00 C ATOM 976 OG SER A 747 -12.908 -1.359 -8.209 1.00 0.00 O ATOM 0 H SER A 747 -10.013 -1.654 -9.295 1.00 0.00 H new ATOM 0 HA SER A 747 -11.615 0.007 -10.996 1.00 0.00 H new ATOM 0 HB2 SER A 747 -13.597 0.085 -9.505 1.00 0.00 H new ATOM 0 HB3 SER A 747 -13.396 -1.509 -10.203 1.00 0.00 H new ATOM 0 HG SER A 747 -12.250 -0.876 -7.666 1.00 0.00 H new ATOM 982 N GLN A 748 -10.939 1.902 -9.565 1.00 0.00 N ATOM 983 CA GLN A 748 -10.412 3.019 -8.786 1.00 0.00 C ATOM 984 C GLN A 748 -11.260 3.253 -7.544 1.00 0.00 C ATOM 985 O GLN A 748 -10.797 3.835 -6.563 1.00 0.00 O ATOM 986 CB GLN A 748 -10.355 4.297 -9.629 1.00 0.00 C ATOM 987 CG GLN A 748 -11.714 4.780 -10.115 1.00 0.00 C ATOM 988 CD GLN A 748 -12.271 3.937 -11.247 1.00 0.00 C ATOM 989 OE1 GLN A 748 -11.388 3.398 -12.080 1.00 0.00 O flip ATOM 990 NE2 GLN A 748 -13.485 3.779 -11.377 1.00 0.00 N flip ATOM 0 H GLN A 748 -11.272 2.156 -10.495 1.00 0.00 H new ATOM 0 HA GLN A 748 -9.398 2.762 -8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -9.889 5.087 -9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -9.713 4.122 -10.492 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -12.417 4.770 -9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -11.629 5.815 -10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -14.129 4.211 -10.715 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -13.846 3.216 -12.147 1.00 0.00 H new ATOM 999 N THR A 749 -12.508 2.795 -7.596 1.00 0.00 N ATOM 1000 CA THR A 749 -13.423 2.940 -6.470 1.00 0.00 C ATOM 1001 C THR A 749 -12.925 2.124 -5.279 1.00 0.00 C ATOM 1002 O THR A 749 -11.761 1.726 -5.240 1.00 0.00 O ATOM 1003 CB THR A 749 -14.847 2.483 -6.848 1.00 0.00 C ATOM 1004 OG1 THR A 749 -15.777 2.866 -5.826 1.00 0.00 O ATOM 1005 CG2 THR A 749 -14.900 0.975 -7.049 1.00 0.00 C ATOM 0 H THR A 749 -12.908 2.321 -8.406 1.00 0.00 H new ATOM 0 HA THR A 749 -13.458 3.996 -6.201 1.00 0.00 H new ATOM 0 HB THR A 749 -15.119 2.968 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 749 -16.234 2.069 -5.484 1.00 0.00 H new ATOM 0 HG21 THR A 749 -15.915 0.679 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 749 -14.218 0.690 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 749 -14.606 0.474 -6.127 1.00 0.00 H new ATOM 1013 N ALA A 750 -13.802 1.877 -4.311 1.00 0.00 N ATOM 1014 CA ALA A 750 -13.427 1.104 -3.135 1.00 0.00 C ATOM 1015 C ALA A 750 -12.277 1.779 -2.394 1.00 0.00 C ATOM 1016 O ALA A 750 -11.449 1.114 -1.772 1.00 0.00 O ATOM 1017 CB ALA A 750 -13.043 -0.312 -3.550 1.00 0.00 C ATOM 0 H ALA A 750 -14.770 2.199 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 750 -14.280 1.053 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 750 -12.763 -0.887 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 750 -13.891 -0.790 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 750 -12.200 -0.273 -4.240 1.00 0.00 H new ATOM 1023 N THR A 751 -12.244 3.109 -2.461 1.00 0.00 N ATOM 1024 CA THR A 751 -11.194 3.887 -1.811 1.00 0.00 C ATOM 1025 C THR A 751 -11.138 3.607 -0.313 1.00 0.00 C ATOM 1026 O THR A 751 -10.111 3.828 0.327 1.00 0.00 O ATOM 1027 CB THR A 751 -11.394 5.397 -2.034 1.00 0.00 C ATOM 1028 OG1 THR A 751 -11.832 5.641 -3.376 1.00 0.00 O ATOM 1029 CG2 THR A 751 -10.100 6.157 -1.779 1.00 0.00 C ATOM 0 H THR A 751 -12.934 3.670 -2.960 1.00 0.00 H new ATOM 0 HA THR A 751 -10.252 3.581 -2.266 1.00 0.00 H new ATOM 0 HB THR A 751 -12.151 5.747 -1.333 1.00 0.00 H new ATOM 0 HG1 THR A 751 -11.958 6.604 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 751 -10.265 7.222 -1.943 1.00 0.00 H new ATOM 0 HG22 THR A 751 -9.779 5.993 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 751 -9.328 5.801 -2.461 1.00 0.00 H new ATOM 1037 N LYS A 752 -12.246 3.132 0.246 1.00 0.00 N ATOM 1038 CA LYS A 752 -12.298 2.808 1.668 1.00 0.00 C ATOM 1039 C LYS A 752 -11.600 1.478 1.920 1.00 0.00 C ATOM 1040 O LYS A 752 -12.248 0.458 2.156 1.00 0.00 O ATOM 1041 CB LYS A 752 -13.749 2.749 2.154 1.00 0.00 C ATOM 1042 CG LYS A 752 -14.424 4.109 2.235 1.00 0.00 C ATOM 1043 CD LYS A 752 -13.803 4.974 3.321 1.00 0.00 C ATOM 1044 CE LYS A 752 -14.481 6.331 3.411 1.00 0.00 C ATOM 1045 NZ LYS A 752 -13.881 7.182 4.474 1.00 0.00 N ATOM 0 H LYS A 752 -13.116 2.963 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 752 -11.783 3.591 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 752 -14.322 2.109 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 752 -13.774 2.282 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 752 -14.342 4.615 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 752 -15.487 3.978 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 752 -13.879 4.464 4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 752 -12.741 5.110 3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 752 -14.402 6.840 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 752 -15.543 6.193 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 752 -14.371 8.099 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 752 -13.979 6.708 5.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 752 -12.873 7.335 4.269 1.00 0.00 H new ATOM 1059 N ARG A 753 -10.270 1.505 1.855 1.00 0.00 N ATOM 1060 CA ARG A 753 -9.453 0.310 2.047 1.00 0.00 C ATOM 1061 C ARG A 753 -9.696 -0.691 0.922 1.00 0.00 C ATOM 1062 O ARG A 753 -10.808 -0.808 0.406 1.00 0.00 O ATOM 1063 CB ARG A 753 -9.719 -0.327 3.411 1.00 0.00 C ATOM 1064 CG ARG A 753 -9.061 0.423 4.558 1.00 0.00 C ATOM 1065 CD ARG A 753 -9.344 -0.241 5.895 1.00 0.00 C ATOM 1066 NE ARG A 753 -10.765 -0.209 6.230 1.00 0.00 N ATOM 1067 CZ ARG A 753 -11.243 -0.467 7.445 1.00 0.00 C ATOM 1068 NH1 ARG A 753 -10.417 -0.774 8.437 1.00 0.00 N ATOM 1069 NH2 ARG A 753 -12.549 -0.417 7.668 1.00 0.00 N ATOM 0 H ARG A 753 -9.732 2.351 1.669 1.00 0.00 H new ATOM 0 HA ARG A 753 -8.405 0.609 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 753 -10.795 -0.369 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 753 -9.357 -1.355 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 753 -7.984 0.468 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 753 -9.424 1.451 4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 753 -9.001 -1.275 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 753 -8.775 0.262 6.677 1.00 0.00 H new ATOM 0 HE ARG A 753 -11.429 0.024 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 753 -9.412 -0.813 8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 753 -10.788 -0.971 9.367 1.00 0.00 H new ATOM 0 HH21 ARG A 753 -13.187 -0.181 6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 753 -12.915 -0.615 8.599 1.00 0.00 H new ATOM 1083 N ILE A 754 -8.639 -1.402 0.543 1.00 0.00 N ATOM 1084 CA ILE A 754 -8.709 -2.383 -0.535 1.00 0.00 C ATOM 1085 C ILE A 754 -9.949 -3.263 -0.440 1.00 0.00 C ATOM 1086 O ILE A 754 -10.432 -3.568 0.650 1.00 0.00 O ATOM 1087 CB ILE A 754 -7.459 -3.276 -0.552 1.00 0.00 C ATOM 1088 CG1 ILE A 754 -7.316 -4.020 0.779 1.00 0.00 C ATOM 1089 CG2 ILE A 754 -6.228 -2.434 -0.841 1.00 0.00 C ATOM 1090 CD1 ILE A 754 -6.195 -5.038 0.789 1.00 0.00 C ATOM 0 H ILE A 754 -7.717 -1.316 0.970 1.00 0.00 H new ATOM 0 HA ILE A 754 -8.765 -1.812 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 754 -7.562 -4.020 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 754 -7.143 -3.295 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 754 -8.255 -4.524 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 754 -5.345 -3.073 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 754 -6.338 -1.950 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 754 -6.117 -1.674 -0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 754 -6.154 -5.525 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 754 -6.376 -5.786 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 754 -5.247 -4.537 0.594 1.00 0.00 H new ATOM 1102 N ARG A 755 -10.457 -3.663 -1.602 1.00 0.00 N ATOM 1103 CA ARG A 755 -11.642 -4.508 -1.675 1.00 0.00 C ATOM 1104 C ARG A 755 -11.265 -5.987 -1.613 1.00 0.00 C ATOM 1105 O ARG A 755 -12.134 -6.858 -1.589 1.00 0.00 O ATOM 1106 CB ARG A 755 -12.431 -4.211 -2.957 1.00 0.00 C ATOM 1107 CG ARG A 755 -11.565 -3.772 -4.133 1.00 0.00 C ATOM 1108 CD ARG A 755 -10.707 -4.910 -4.661 1.00 0.00 C ATOM 1109 NE ARG A 755 -11.508 -5.987 -5.239 1.00 0.00 N ATOM 1110 CZ ARG A 755 -11.031 -6.874 -6.109 1.00 0.00 C ATOM 1111 NH1 ARG A 755 -9.768 -6.806 -6.507 1.00 0.00 N ATOM 1112 NH2 ARG A 755 -11.820 -7.830 -6.583 1.00 0.00 N ATOM 0 H ARG A 755 -10.063 -3.413 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 755 -12.272 -4.283 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 755 -12.988 -5.103 -3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 755 -13.163 -3.431 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 755 -12.203 -3.397 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 755 -10.923 -2.947 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 755 -10.021 -4.525 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 755 -10.097 -5.309 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 755 -12.486 -6.063 -4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 755 -9.158 -6.072 -6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 755 -9.406 -7.488 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 755 -12.793 -7.885 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 755 -11.454 -8.510 -7.250 1.00 0.00 H new ATOM 1126 N MET A 756 -9.964 -6.259 -1.584 1.00 0.00 N ATOM 1127 CA MET A 756 -9.468 -7.630 -1.517 1.00 0.00 C ATOM 1128 C MET A 756 -8.358 -7.748 -0.476 1.00 0.00 C ATOM 1129 O MET A 756 -7.183 -7.558 -0.785 1.00 0.00 O ATOM 1130 CB MET A 756 -8.954 -8.081 -2.887 1.00 0.00 C ATOM 1131 CG MET A 756 -8.578 -9.553 -2.942 1.00 0.00 C ATOM 1132 SD MET A 756 -7.977 -10.053 -4.566 1.00 0.00 S ATOM 1133 CE MET A 756 -7.654 -11.793 -4.285 1.00 0.00 C ATOM 0 H MET A 756 -9.233 -5.548 -1.606 1.00 0.00 H new ATOM 0 HA MET A 756 -10.293 -8.278 -1.222 1.00 0.00 H new ATOM 0 HB2 MET A 756 -9.720 -7.882 -3.637 1.00 0.00 H new ATOM 0 HB3 MET A 756 -8.083 -7.482 -3.154 1.00 0.00 H new ATOM 0 HG2 MET A 756 -7.810 -9.756 -2.196 1.00 0.00 H new ATOM 0 HG3 MET A 756 -9.447 -10.156 -2.678 1.00 0.00 H new ATOM 0 HE1 MET A 756 -7.275 -12.245 -5.201 1.00 0.00 H new ATOM 0 HE2 MET A 756 -6.913 -11.902 -3.493 1.00 0.00 H new ATOM 0 HE3 MET A 756 -8.577 -12.291 -3.989 1.00 0.00 H new ATOM 1143 N ALA A 757 -8.743 -8.064 0.758 1.00 0.00 N ATOM 1144 CA ALA A 757 -7.787 -8.199 1.852 1.00 0.00 C ATOM 1145 C ALA A 757 -6.737 -9.264 1.551 1.00 0.00 C ATOM 1146 O ALA A 757 -6.889 -10.060 0.626 1.00 0.00 O ATOM 1147 CB ALA A 757 -8.515 -8.529 3.146 1.00 0.00 C ATOM 0 H ALA A 757 -9.713 -8.232 1.025 1.00 0.00 H new ATOM 0 HA ALA A 757 -7.271 -7.246 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -7.792 -8.627 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -9.217 -7.730 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -9.058 -9.467 3.029 1.00 0.00 H new ATOM 1153 N ILE A 758 -5.672 -9.269 2.348 1.00 0.00 N ATOM 1154 CA ILE A 758 -4.590 -10.232 2.177 1.00 0.00 C ATOM 1155 C ILE A 758 -4.989 -11.606 2.709 1.00 0.00 C ATOM 1156 O ILE A 758 -4.440 -12.626 2.293 1.00 0.00 O ATOM 1157 CB ILE A 758 -3.306 -9.767 2.892 1.00 0.00 C ATOM 1158 CG1 ILE A 758 -3.607 -9.413 4.351 1.00 0.00 C ATOM 1159 CG2 ILE A 758 -2.694 -8.576 2.164 1.00 0.00 C ATOM 1160 CD1 ILE A 758 -2.369 -9.131 5.178 1.00 0.00 C ATOM 0 H ILE A 758 -5.536 -8.616 3.119 1.00 0.00 H new ATOM 0 HA ILE A 758 -4.394 -10.303 1.107 1.00 0.00 H new ATOM 0 HB ILE A 758 -2.584 -10.584 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -4.257 -8.538 4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -4.159 -10.234 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -1.788 -8.260 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -2.447 -8.862 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -3.409 -7.753 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -2.661 -8.888 6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -1.727 -10.012 5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -1.827 -8.290 4.746 1.00 0.00 H new ATOM 1172 N ASN A 759 -5.949 -11.624 3.629 1.00 0.00 N ATOM 1173 CA ASN A 759 -6.422 -12.872 4.215 1.00 0.00 C ATOM 1174 C ASN A 759 -7.419 -13.562 3.288 1.00 0.00 C ATOM 1175 O ASN A 759 -8.625 -13.250 3.379 1.00 0.00 O ATOM 1176 CB ASN A 759 -7.069 -12.608 5.576 1.00 0.00 C ATOM 1177 CG ASN A 759 -7.529 -13.885 6.255 1.00 0.00 C ATOM 1178 OD1 ASN A 759 -6.793 -14.485 7.037 1.00 0.00 O ATOM 1179 ND2 ASN A 759 -8.754 -14.308 5.956 1.00 0.00 N ATOM 1180 OXT ASN A 759 -6.984 -14.407 2.478 1.00 0.00 O ATOM 0 H ASN A 759 -6.414 -10.788 3.984 1.00 0.00 H new ATOM 0 HA ASN A 759 -5.564 -13.530 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 759 -6.356 -12.093 6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 759 -7.921 -11.941 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 759 -9.117 -15.161 6.381 1.00 0.00 H new ATOM 0 HD22 ASN A 759 -9.331 -13.779 5.302 1.00 0.00 H new TER 1187 ASN A 759