USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 704 TYR OH : rot 30:sc= -1.28 USER MOD Set 1.2: A 721 LYS NZ :NH3+ -116:sc= 0.0902 (180deg=0) USER MOD Set 2.1: A 688 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 745 THR OG1 : rot 76:sc= -2.2 USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 709 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 711 ASN :FLIP amide:sc= 1.03 F(o=-0.15,f=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=-0.8) USER MOD Single : A 718 LYS NZ :NH3+ -168:sc= -1.3 (180deg=-1.6) USER MOD Single : A 723 ASN : amide:sc= -2.49 K(o=-2.5,f=-7.1!) USER MOD Single : A 728 GLN : amide:sc= -0.0677 K(o=-0.068,f=-0.76) USER MOD Single : A 735 MET CE :methyl 157:sc= -3.97! (180deg=-4.56!) USER MOD Single : A 736 LYS NZ :NH3+ -161:sc= -3.38 (180deg=-5.16!) USER MOD Single : A 738 LYS NZ :NH3+ -154:sc= -0.208 (180deg=-0.709) USER MOD Single : A 741 SER OG : rot 180:sc= 0 USER MOD Single : A 742 SER OG : rot 180:sc= -0.239 USER MOD Single : A 747 SER OG : rot 180:sc= -0.0619 USER MOD Single : A 748 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.8) 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+ -169:sc= -0.0268 (180deg=-0.184) USER MOD Single : A 756 MET CE :methyl 164:sc= -0.0585 (180deg=-0.386) USER MOD Single : A 759 ASN : amide:sc= -0.53 K(o=-0.53,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 686 -6.160 3.362 -11.028 1.00 0.00 N ATOM 9 CA VAL A 686 -5.306 4.331 -11.701 1.00 0.00 C ATOM 10 C VAL A 686 -4.125 4.704 -10.816 1.00 0.00 C ATOM 11 O VAL A 686 -3.070 5.116 -11.299 1.00 0.00 O ATOM 12 CB VAL A 686 -6.082 5.606 -12.080 1.00 0.00 C ATOM 13 CG1 VAL A 686 -5.186 6.577 -12.832 1.00 0.00 C ATOM 14 CG2 VAL A 686 -7.311 5.254 -12.901 1.00 0.00 C ATOM 0 HA VAL A 686 -4.945 3.863 -12.617 1.00 0.00 H new ATOM 0 HB VAL A 686 -6.412 6.095 -11.164 1.00 0.00 H new ATOM 0 HG11 VAL A 686 -5.754 7.471 -13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 686 -4.340 6.854 -12.203 1.00 0.00 H new ATOM 0 HG13 VAL A 686 -4.820 6.104 -13.743 1.00 0.00 H new ATOM 0 HG21 VAL A 686 -7.848 6.166 -13.161 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -7.005 4.741 -13.813 1.00 0.00 H new ATOM 0 HG23 VAL A 686 -7.963 4.602 -12.319 1.00 0.00 H new ATOM 24 N GLU A 687 -4.317 4.549 -9.514 1.00 0.00 N ATOM 25 CA GLU A 687 -3.278 4.859 -8.540 1.00 0.00 C ATOM 26 C GLU A 687 -2.226 3.756 -8.510 1.00 0.00 C ATOM 27 O GLU A 687 -1.051 4.011 -8.245 1.00 0.00 O ATOM 28 CB GLU A 687 -3.887 5.041 -7.147 1.00 0.00 C ATOM 29 CG GLU A 687 -4.739 6.293 -7.011 1.00 0.00 C ATOM 30 CD GLU A 687 -5.998 6.246 -7.856 1.00 0.00 C ATOM 31 OE1 GLU A 687 -5.940 6.665 -9.031 1.00 0.00 O ATOM 32 OE2 GLU A 687 -7.041 5.793 -7.342 1.00 0.00 O ATOM 0 H GLU A 687 -5.187 4.209 -9.105 1.00 0.00 H new ATOM 0 HA GLU A 687 -2.798 5.791 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 687 -4.497 4.169 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 687 -3.084 5.077 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 687 -5.015 6.427 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 687 -4.147 7.162 -7.298 1.00 0.00 H new ATOM 39 N SER A 688 -2.657 2.530 -8.788 1.00 0.00 N ATOM 40 CA SER A 688 -1.753 1.386 -8.798 1.00 0.00 C ATOM 41 C SER A 688 -0.957 1.337 -10.100 1.00 0.00 C ATOM 42 O SER A 688 0.188 0.884 -10.122 1.00 0.00 O ATOM 43 CB SER A 688 -2.542 0.087 -8.625 1.00 0.00 C ATOM 44 OG SER A 688 -3.383 -0.156 -9.738 1.00 0.00 O ATOM 0 H SER A 688 -3.627 2.303 -9.009 1.00 0.00 H new ATOM 0 HA SER A 688 -1.056 1.496 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 688 -1.851 -0.747 -8.500 1.00 0.00 H new ATOM 0 HB3 SER A 688 -3.143 0.142 -7.717 1.00 0.00 H new ATOM 0 HG SER A 688 -3.493 -1.122 -9.860 1.00 0.00 H new ATOM 50 N ALA A 689 -1.575 1.809 -11.182 1.00 0.00 N ATOM 51 CA ALA A 689 -0.933 1.820 -12.495 1.00 0.00 C ATOM 52 C ALA A 689 0.376 2.602 -12.466 1.00 0.00 C ATOM 53 O ALA A 689 1.435 2.065 -12.789 1.00 0.00 O ATOM 54 CB ALA A 689 -1.876 2.406 -13.534 1.00 0.00 C ATOM 0 H ALA A 689 -2.521 2.189 -11.175 1.00 0.00 H new ATOM 0 HA ALA A 689 -0.700 0.790 -12.766 1.00 0.00 H new ATOM 0 HB1 ALA A 689 -1.387 2.409 -14.508 1.00 0.00 H new ATOM 0 HB2 ALA A 689 -2.782 1.802 -13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 689 -2.136 3.427 -13.255 1.00 0.00 H new ATOM 60 N VAL A 690 0.296 3.874 -12.082 1.00 0.00 N ATOM 61 CA VAL A 690 1.478 4.725 -12.005 1.00 0.00 C ATOM 62 C VAL A 690 2.557 4.079 -11.144 1.00 0.00 C ATOM 63 O VAL A 690 3.723 4.013 -11.535 1.00 0.00 O ATOM 64 CB VAL A 690 1.133 6.109 -11.422 1.00 0.00 C ATOM 65 CG1 VAL A 690 0.292 6.909 -12.405 1.00 0.00 C ATOM 66 CG2 VAL A 690 0.413 5.963 -10.092 1.00 0.00 C ATOM 0 H VAL A 690 -0.575 4.336 -11.820 1.00 0.00 H new ATOM 0 HA VAL A 690 1.851 4.850 -13.022 1.00 0.00 H new ATOM 0 HB VAL A 690 2.063 6.651 -11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 690 0.058 7.883 -11.975 1.00 0.00 H new ATOM 0 HG12 VAL A 690 0.848 7.045 -13.333 1.00 0.00 H new ATOM 0 HG13 VAL A 690 -0.634 6.373 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 690 0.177 6.951 -9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 690 -0.509 5.401 -10.237 1.00 0.00 H new ATOM 0 HG23 VAL A 690 1.054 5.433 -9.388 1.00 0.00 H new ATOM 76 N LEU A 691 2.155 3.607 -9.971 1.00 0.00 N ATOM 77 CA LEU A 691 3.067 2.952 -9.045 1.00 0.00 C ATOM 78 C LEU A 691 3.773 1.773 -9.714 1.00 0.00 C ATOM 79 O LEU A 691 4.898 1.909 -10.194 1.00 0.00 O ATOM 80 CB LEU A 691 2.306 2.495 -7.802 1.00 0.00 C ATOM 81 CG LEU A 691 2.245 3.512 -6.651 1.00 0.00 C ATOM 82 CD1 LEU A 691 1.806 4.882 -7.146 1.00 0.00 C ATOM 83 CD2 LEU A 691 1.306 3.025 -5.561 1.00 0.00 C ATOM 0 H LEU A 691 1.193 3.667 -9.637 1.00 0.00 H new ATOM 0 HA LEU A 691 3.832 3.668 -8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 691 1.287 2.242 -8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 691 2.768 1.580 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 691 3.249 3.607 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 691 1.773 5.578 -6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 691 2.515 5.244 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 691 0.815 4.807 -7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 691 1.275 3.757 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 691 0.305 2.897 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 691 1.663 2.071 -5.172 1.00 0.00 H new ATOM 95 N ARG A 692 3.101 0.624 -9.750 1.00 0.00 N ATOM 96 CA ARG A 692 3.657 -0.579 -10.364 1.00 0.00 C ATOM 97 C ARG A 692 2.672 -1.737 -10.267 1.00 0.00 C ATOM 98 O ARG A 692 2.202 -2.258 -11.279 1.00 0.00 O ATOM 99 CB ARG A 692 4.971 -0.966 -9.709 1.00 0.00 C ATOM 100 CG ARG A 692 5.865 -1.776 -10.628 1.00 0.00 C ATOM 101 CD ARG A 692 6.099 -1.086 -11.965 1.00 0.00 C ATOM 102 NE ARG A 692 6.689 0.239 -11.803 1.00 0.00 N ATOM 103 CZ ARG A 692 6.778 1.133 -12.785 1.00 0.00 C ATOM 104 NH1 ARG A 692 6.315 0.842 -13.994 1.00 0.00 N ATOM 105 NH2 ARG A 692 7.328 2.318 -12.557 1.00 0.00 N ATOM 0 H ARG A 692 2.167 0.501 -9.359 1.00 0.00 H new ATOM 0 HA ARG A 692 3.843 -0.359 -11.415 1.00 0.00 H new ATOM 0 HB2 ARG A 692 5.498 -0.063 -9.399 1.00 0.00 H new ATOM 0 HB3 ARG A 692 4.767 -1.542 -8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 692 6.823 -1.949 -10.139 1.00 0.00 H new ATOM 0 HG3 ARG A 692 5.414 -2.753 -10.800 1.00 0.00 H new ATOM 0 HD2 ARG A 692 6.755 -1.702 -12.580 1.00 0.00 H new ATOM 0 HD3 ARG A 692 5.152 -0.998 -12.498 1.00 0.00 H new ATOM 0 HE ARG A 692 7.054 0.494 -10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 692 5.890 -0.068 -14.172 1.00 0.00 H new ATOM 0 HH12 ARG A 692 6.384 1.528 -14.745 1.00 0.00 H new ATOM 0 HH21 ARG A 692 7.683 2.545 -11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 692 7.396 3.002 -13.310 1.00 0.00 H new ATOM 119 N GLY A 693 2.367 -2.130 -9.037 1.00 0.00 N ATOM 120 CA GLY A 693 1.437 -3.217 -8.805 1.00 0.00 C ATOM 121 C GLY A 693 0.898 -3.197 -7.392 1.00 0.00 C ATOM 122 O GLY A 693 0.880 -4.220 -6.710 1.00 0.00 O ATOM 0 H GLY A 693 2.751 -1.711 -8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 693 0.610 -3.146 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 693 1.935 -4.169 -8.992 1.00 0.00 H new ATOM 126 N PHE A 694 0.462 -2.021 -6.952 1.00 0.00 N ATOM 127 CA PHE A 694 -0.072 -1.850 -5.608 1.00 0.00 C ATOM 128 C PHE A 694 -1.593 -1.921 -5.602 1.00 0.00 C ATOM 129 O PHE A 694 -2.227 -2.034 -6.649 1.00 0.00 O ATOM 130 CB PHE A 694 0.380 -0.511 -5.026 1.00 0.00 C ATOM 131 CG PHE A 694 1.855 -0.434 -4.764 1.00 0.00 C ATOM 132 CD1 PHE A 694 2.736 -0.077 -5.772 1.00 0.00 C ATOM 133 CD2 PHE A 694 2.362 -0.717 -3.507 1.00 0.00 C ATOM 134 CE1 PHE A 694 4.090 -0.008 -5.538 1.00 0.00 C ATOM 135 CE2 PHE A 694 3.721 -0.647 -3.265 1.00 0.00 C ATOM 136 CZ PHE A 694 4.584 -0.293 -4.282 1.00 0.00 C ATOM 0 H PHE A 694 0.469 -1.168 -7.512 1.00 0.00 H new ATOM 0 HA PHE A 694 0.313 -2.664 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 694 0.100 0.287 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 694 -0.155 -0.331 -4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 694 2.354 0.151 -6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 694 1.690 -0.995 -2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 694 4.764 0.268 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 694 4.107 -0.869 -2.281 1.00 0.00 H new ATOM 0 HZ PHE A 694 5.646 -0.239 -4.095 1.00 0.00 H new ATOM 146 N LEU A 695 -2.165 -1.868 -4.407 1.00 0.00 N ATOM 147 CA LEU A 695 -3.611 -1.909 -4.237 1.00 0.00 C ATOM 148 C LEU A 695 -4.087 -0.634 -3.566 1.00 0.00 C ATOM 149 O LEU A 695 -3.376 -0.061 -2.742 1.00 0.00 O ATOM 150 CB LEU A 695 -4.021 -3.112 -3.389 1.00 0.00 C ATOM 151 CG LEU A 695 -4.703 -4.252 -4.144 1.00 0.00 C ATOM 152 CD1 LEU A 695 -5.160 -5.327 -3.174 1.00 0.00 C ATOM 153 CD2 LEU A 695 -5.882 -3.731 -4.950 1.00 0.00 C ATOM 0 H LEU A 695 -1.644 -1.796 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 695 -4.070 -2.000 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 695 -3.132 -3.507 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 695 -4.693 -2.767 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 695 -3.981 -4.688 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 695 -5.644 -6.133 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 695 -4.298 -5.722 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 695 -5.866 -4.899 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 695 -6.354 -4.558 -5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 695 -6.606 -3.270 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 695 -5.532 -2.991 -5.670 1.00 0.00 H new ATOM 165 N ILE A 696 -5.292 -0.192 -3.898 1.00 0.00 N ATOM 166 CA ILE A 696 -5.811 1.027 -3.305 1.00 0.00 C ATOM 167 C ILE A 696 -6.302 0.780 -1.888 1.00 0.00 C ATOM 168 O ILE A 696 -7.380 0.223 -1.679 1.00 0.00 O ATOM 169 CB ILE A 696 -6.950 1.640 -4.144 1.00 0.00 C ATOM 170 CG1 ILE A 696 -6.415 2.077 -5.511 1.00 0.00 C ATOM 171 CG2 ILE A 696 -7.581 2.818 -3.406 1.00 0.00 C ATOM 172 CD1 ILE A 696 -7.386 2.926 -6.303 1.00 0.00 C ATOM 0 H ILE A 696 -5.916 -0.650 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 696 -4.984 1.737 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 696 -7.722 0.886 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 696 -5.491 2.637 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 696 -6.163 1.190 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 696 -8.383 3.239 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 696 -7.987 2.476 -2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 696 -6.824 3.581 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 696 -6.937 3.197 -7.259 1.00 0.00 H new ATOM 0 HD12 ILE A 696 -8.302 2.362 -6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 696 -7.619 3.831 -5.742 1.00 0.00 H new ATOM 184 N LEU A 697 -5.501 1.204 -0.919 1.00 0.00 N ATOM 185 CA LEU A 697 -5.856 1.055 0.481 1.00 0.00 C ATOM 186 C LEU A 697 -6.820 2.168 0.862 1.00 0.00 C ATOM 187 O LEU A 697 -8.029 2.035 0.682 1.00 0.00 O ATOM 188 CB LEU A 697 -4.593 1.082 1.353 1.00 0.00 C ATOM 189 CG LEU A 697 -4.707 0.428 2.734 1.00 0.00 C ATOM 190 CD1 LEU A 697 -5.622 1.234 3.631 1.00 0.00 C ATOM 191 CD2 LEU A 697 -5.203 -1.004 2.616 1.00 0.00 C ATOM 0 H LEU A 697 -4.600 1.654 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 697 -6.345 0.095 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 697 -3.789 0.589 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 697 -4.294 2.121 1.490 1.00 0.00 H new ATOM 0 HG LEU A 697 -3.714 0.408 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 697 -5.690 0.754 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 697 -5.221 2.241 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 697 -6.614 1.289 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 697 -5.276 -1.447 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 697 -6.185 -1.011 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 697 -4.505 -1.582 2.011 1.00 0.00 H new ATOM 203 N GLY A 698 -6.287 3.269 1.365 1.00 0.00 N ATOM 204 CA GLY A 698 -7.133 4.392 1.726 1.00 0.00 C ATOM 205 C GLY A 698 -6.387 5.495 2.452 1.00 0.00 C ATOM 206 O GLY A 698 -5.172 5.422 2.628 1.00 0.00 O ATOM 0 H GLY A 698 -5.290 3.408 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 698 -7.586 4.802 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 698 -7.947 4.037 2.358 1.00 0.00 H new ATOM 210 N LYS A 699 -7.121 6.524 2.865 1.00 0.00 N ATOM 211 CA LYS A 699 -6.537 7.650 3.589 1.00 0.00 C ATOM 212 C LYS A 699 -6.745 7.475 5.085 1.00 0.00 C ATOM 213 O LYS A 699 -7.457 8.246 5.728 1.00 0.00 O ATOM 214 CB LYS A 699 -7.146 8.972 3.116 1.00 0.00 C ATOM 215 CG LYS A 699 -8.669 8.970 3.082 1.00 0.00 C ATOM 216 CD LYS A 699 -9.222 10.276 2.531 1.00 0.00 C ATOM 217 CE LYS A 699 -8.943 11.442 3.464 1.00 0.00 C ATOM 218 NZ LYS A 699 -9.490 12.722 2.935 1.00 0.00 N ATOM 0 H LYS A 699 -8.126 6.602 2.710 1.00 0.00 H new ATOM 0 HA LYS A 699 -5.467 7.675 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.808 9.773 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -6.770 9.198 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -9.018 8.140 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -9.055 8.807 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -8.779 10.476 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -10.297 10.181 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -9.380 11.237 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -7.867 11.540 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -9.278 13.492 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -9.054 12.931 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -10.520 12.638 2.819 1.00 0.00 H new ATOM 232 N GLU A 700 -6.113 6.445 5.622 1.00 0.00 N ATOM 233 CA GLU A 700 -6.215 6.123 7.035 1.00 0.00 C ATOM 234 C GLU A 700 -4.985 5.361 7.480 1.00 0.00 C ATOM 235 O GLU A 700 -3.981 5.343 6.786 1.00 0.00 O ATOM 236 CB GLU A 700 -7.464 5.293 7.315 1.00 0.00 C ATOM 237 CG GLU A 700 -7.504 3.985 6.542 1.00 0.00 C ATOM 238 CD GLU A 700 -8.699 3.125 6.909 1.00 0.00 C ATOM 239 OE1 GLU A 700 -9.772 3.309 6.299 1.00 0.00 O ATOM 240 OE2 GLU A 700 -8.558 2.267 7.805 1.00 0.00 O ATOM 0 H GLU A 700 -5.516 5.810 5.092 1.00 0.00 H new ATOM 0 HA GLU A 700 -6.287 7.056 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 700 -7.517 5.078 8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 700 -8.346 5.882 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 700 -7.530 4.200 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 700 -6.587 3.427 6.733 1.00 0.00 H new ATOM 247 N ASP A 701 -5.042 4.786 8.667 1.00 0.00 N ATOM 248 CA ASP A 701 -3.921 4.005 9.166 1.00 0.00 C ATOM 249 C ASP A 701 -2.648 4.844 9.155 1.00 0.00 C ATOM 250 O ASP A 701 -1.589 4.394 8.717 1.00 0.00 O ATOM 251 CB ASP A 701 -3.756 2.749 8.298 1.00 0.00 C ATOM 252 CG ASP A 701 -2.912 1.683 8.967 1.00 0.00 C ATOM 253 OD1 ASP A 701 -1.931 2.042 9.649 1.00 0.00 O ATOM 254 OD2 ASP A 701 -3.237 0.487 8.813 1.00 0.00 O ATOM 0 H ASP A 701 -5.841 4.842 9.298 1.00 0.00 H new ATOM 0 HA ASP A 701 -4.114 3.702 10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 701 -4.739 2.338 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 701 -3.298 3.026 7.348 1.00 0.00 H new ATOM 259 N ARG A 702 -2.768 6.072 9.647 1.00 0.00 N ATOM 260 CA ARG A 702 -1.643 6.995 9.697 1.00 0.00 C ATOM 261 C ARG A 702 -0.610 6.539 10.720 1.00 0.00 C ATOM 262 O ARG A 702 0.482 7.102 10.807 1.00 0.00 O ATOM 263 CB ARG A 702 -2.128 8.407 10.035 1.00 0.00 C ATOM 264 CG ARG A 702 -3.044 9.013 8.979 1.00 0.00 C ATOM 265 CD ARG A 702 -4.466 8.484 9.096 1.00 0.00 C ATOM 266 NE ARG A 702 -5.030 8.731 10.421 1.00 0.00 N ATOM 267 CZ ARG A 702 -6.292 8.468 10.749 1.00 0.00 C ATOM 268 NH1 ARG A 702 -7.126 7.965 9.848 1.00 0.00 N ATOM 269 NH2 ARG A 702 -6.722 8.713 11.979 1.00 0.00 N ATOM 0 H ARG A 702 -3.639 6.452 10.019 1.00 0.00 H new ATOM 0 HA ARG A 702 -1.172 7.007 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 702 -2.656 8.381 10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 702 -1.262 9.056 10.167 1.00 0.00 H new ATOM 0 HG2 ARG A 702 -3.050 10.098 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 702 -2.653 8.789 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 702 -5.093 8.957 8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 702 -4.473 7.413 8.892 1.00 0.00 H new ATOM 0 HE ARG A 702 -4.421 9.128 11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 702 -6.800 7.778 8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 702 -8.093 7.765 10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 702 -6.085 9.103 12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 702 -7.690 8.511 12.231 1.00 0.00 H new ATOM 283 N ARG A 703 -0.960 5.514 11.493 1.00 0.00 N ATOM 284 CA ARG A 703 -0.060 4.979 12.508 1.00 0.00 C ATOM 285 C ARG A 703 1.231 4.473 11.872 1.00 0.00 C ATOM 286 O ARG A 703 2.235 4.278 12.557 1.00 0.00 O ATOM 287 CB ARG A 703 -0.738 3.852 13.290 1.00 0.00 C ATOM 288 CG ARG A 703 -1.191 2.691 12.420 1.00 0.00 C ATOM 289 CD ARG A 703 -1.887 1.618 13.242 1.00 0.00 C ATOM 290 NE ARG A 703 -2.357 0.509 12.415 1.00 0.00 N ATOM 291 CZ ARG A 703 -3.071 -0.510 12.887 1.00 0.00 C ATOM 292 NH1 ARG A 703 -3.400 -0.556 14.171 1.00 0.00 N ATOM 293 NH2 ARG A 703 -3.458 -1.482 12.073 1.00 0.00 N ATOM 0 H ARG A 703 -1.860 5.038 11.435 1.00 0.00 H new ATOM 0 HA ARG A 703 0.186 5.785 13.200 1.00 0.00 H new ATOM 0 HB2 ARG A 703 -0.047 3.480 14.046 1.00 0.00 H new ATOM 0 HB3 ARG A 703 -1.601 4.257 13.819 1.00 0.00 H new ATOM 0 HG2 ARG A 703 -1.868 3.056 11.648 1.00 0.00 H new ATOM 0 HG3 ARG A 703 -0.330 2.259 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 703 -1.200 1.239 13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 703 -2.732 2.059 13.771 1.00 0.00 H new ATOM 0 HE ARG A 703 -2.125 0.516 11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 703 -3.106 0.191 14.800 1.00 0.00 H new ATOM 0 HH12 ARG A 703 -3.947 -1.338 14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 703 -3.209 -1.449 11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 703 -4.005 -2.263 12.435 1.00 0.00 H new ATOM 307 N TYR A 704 1.199 4.262 10.558 1.00 0.00 N ATOM 308 CA TYR A 704 2.375 3.791 9.835 1.00 0.00 C ATOM 309 C TYR A 704 3.429 4.890 9.783 1.00 0.00 C ATOM 310 O TYR A 704 4.627 4.627 9.893 1.00 0.00 O ATOM 311 CB TYR A 704 2.002 3.374 8.407 1.00 0.00 C ATOM 312 CG TYR A 704 1.368 2.004 8.295 1.00 0.00 C ATOM 313 CD1 TYR A 704 1.953 0.894 8.893 1.00 0.00 C ATOM 314 CD2 TYR A 704 0.195 1.815 7.571 1.00 0.00 C ATOM 315 CE1 TYR A 704 1.386 -0.361 8.778 1.00 0.00 C ATOM 316 CE2 TYR A 704 -0.374 0.566 7.448 1.00 0.00 C ATOM 317 CZ TYR A 704 0.223 -0.520 8.054 1.00 0.00 C ATOM 318 OH TYR A 704 -0.342 -1.768 7.938 1.00 0.00 O ATOM 0 H TYR A 704 0.375 4.409 9.975 1.00 0.00 H new ATOM 0 HA TYR A 704 2.776 2.925 10.362 1.00 0.00 H new ATOM 0 HB2 TYR A 704 1.314 4.113 7.995 1.00 0.00 H new ATOM 0 HB3 TYR A 704 2.900 3.396 7.790 1.00 0.00 H new ATOM 0 HD1 TYR A 704 2.866 1.014 9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 704 -0.278 2.662 7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 704 1.851 -1.213 9.252 1.00 0.00 H new ATOM 0 HE2 TYR A 704 -1.283 0.438 6.880 1.00 0.00 H new ATOM 0 HH TYR A 704 -0.135 -2.296 8.737 1.00 0.00 H new ATOM 328 N GLY A 705 2.960 6.124 9.617 1.00 0.00 N ATOM 329 CA GLY A 705 3.844 7.275 9.553 1.00 0.00 C ATOM 330 C GLY A 705 5.062 7.067 8.667 1.00 0.00 C ATOM 331 O GLY A 705 6.186 7.321 9.102 1.00 0.00 O ATOM 0 H GLY A 705 1.969 6.349 9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 705 3.281 8.133 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 705 4.178 7.521 10.561 1.00 0.00 H new ATOM 335 N PRO A 706 4.882 6.603 7.415 1.00 0.00 N ATOM 336 CA PRO A 706 5.986 6.392 6.492 1.00 0.00 C ATOM 337 C PRO A 706 6.264 7.627 5.645 1.00 0.00 C ATOM 338 O PRO A 706 7.251 8.330 5.868 1.00 0.00 O ATOM 339 CB PRO A 706 5.491 5.234 5.630 1.00 0.00 C ATOM 340 CG PRO A 706 3.995 5.335 5.643 1.00 0.00 C ATOM 341 CD PRO A 706 3.599 6.229 6.799 1.00 0.00 C ATOM 0 HA PRO A 706 6.928 6.186 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 706 5.880 5.307 4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 706 5.823 4.276 6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 706 3.632 5.746 4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 706 3.547 4.348 5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 706 3.050 7.106 6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 706 2.954 5.706 7.505 1.00 0.00 H new ATOM 349 N ALA A 707 5.389 7.886 4.678 1.00 0.00 N ATOM 350 CA ALA A 707 5.525 9.046 3.809 1.00 0.00 C ATOM 351 C ALA A 707 6.849 9.037 3.049 1.00 0.00 C ATOM 352 O ALA A 707 7.893 9.400 3.592 1.00 0.00 O ATOM 353 CB ALA A 707 5.393 10.316 4.632 1.00 0.00 C ATOM 0 H ALA A 707 4.575 7.304 4.477 1.00 0.00 H new ATOM 0 HA ALA A 707 4.728 9.007 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 707 5.495 11.184 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 707 4.416 10.337 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 707 6.173 10.339 5.393 1.00 0.00 H new ATOM 359 N LEU A 708 6.795 8.623 1.787 1.00 0.00 N ATOM 360 CA LEU A 708 7.984 8.575 0.942 1.00 0.00 C ATOM 361 C LEU A 708 7.606 8.663 -0.532 1.00 0.00 C ATOM 362 O LEU A 708 6.468 8.988 -0.873 1.00 0.00 O ATOM 363 CB LEU A 708 8.796 7.303 1.210 1.00 0.00 C ATOM 364 CG LEU A 708 7.985 6.018 1.402 1.00 0.00 C ATOM 365 CD1 LEU A 708 7.091 5.756 0.202 1.00 0.00 C ATOM 366 CD2 LEU A 708 8.916 4.839 1.635 1.00 0.00 C ATOM 0 H LEU A 708 5.939 8.315 1.326 1.00 0.00 H new ATOM 0 HA LEU A 708 8.605 9.436 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 708 9.485 7.154 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 708 9.402 7.463 2.102 1.00 0.00 H new ATOM 0 HG LEU A 708 7.349 6.143 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 708 6.526 4.838 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 708 6.401 6.590 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 708 7.704 5.652 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 708 8.327 3.932 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 708 9.574 4.720 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 708 9.515 5.019 2.528 1.00 0.00 H new ATOM 378 N SER A 709 8.565 8.371 -1.403 1.00 0.00 N ATOM 379 CA SER A 709 8.328 8.419 -2.841 1.00 0.00 C ATOM 380 C SER A 709 8.068 7.020 -3.395 1.00 0.00 C ATOM 381 O SER A 709 8.435 6.019 -2.781 1.00 0.00 O ATOM 382 CB SER A 709 9.520 9.058 -3.552 1.00 0.00 C ATOM 383 OG SER A 709 9.308 9.119 -4.952 1.00 0.00 O ATOM 0 H SER A 709 9.512 8.099 -1.139 1.00 0.00 H new ATOM 0 HA SER A 709 7.442 9.028 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 709 9.684 10.063 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 709 10.422 8.484 -3.343 1.00 0.00 H new ATOM 0 HG SER A 709 10.085 9.534 -5.383 1.00 0.00 H new ATOM 389 N ILE A 710 7.431 6.965 -4.560 1.00 0.00 N ATOM 390 CA ILE A 710 7.108 5.695 -5.204 1.00 0.00 C ATOM 391 C ILE A 710 8.362 4.896 -5.518 1.00 0.00 C ATOM 392 O ILE A 710 8.380 3.672 -5.389 1.00 0.00 O ATOM 393 CB ILE A 710 6.314 5.916 -6.507 1.00 0.00 C ATOM 394 CG1 ILE A 710 4.842 6.179 -6.198 1.00 0.00 C ATOM 395 CG2 ILE A 710 6.454 4.719 -7.436 1.00 0.00 C ATOM 396 CD1 ILE A 710 4.614 7.346 -5.260 1.00 0.00 C ATOM 0 H ILE A 710 7.127 7.788 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 710 6.495 5.133 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 710 6.726 6.790 -7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 710 4.312 6.367 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 710 4.406 5.281 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 710 5.885 4.898 -8.348 1.00 0.00 H new ATOM 0 HG22 ILE A 710 7.505 4.573 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 710 6.072 3.827 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 710 3.545 7.471 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 710 5.114 7.153 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 710 5.018 8.255 -5.705 1.00 0.00 H new ATOM 408 N ASN A 711 9.406 5.590 -5.945 1.00 0.00 N ATOM 409 CA ASN A 711 10.659 4.934 -6.279 1.00 0.00 C ATOM 410 C ASN A 711 11.148 4.087 -5.107 1.00 0.00 C ATOM 411 O ASN A 711 11.964 3.180 -5.276 1.00 0.00 O ATOM 412 CB ASN A 711 11.713 5.972 -6.666 1.00 0.00 C ATOM 413 CG ASN A 711 13.059 5.343 -6.973 1.00 0.00 C ATOM 414 OD1 ASN A 711 13.266 4.973 -8.231 1.00 0.00 O flip ATOM 415 ND2 ASN A 711 13.902 5.190 -6.090 1.00 0.00 N flip ATOM 0 H ASN A 711 9.410 6.603 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 711 10.490 4.276 -7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 711 11.368 6.529 -7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 711 11.827 6.690 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 711 13.701 5.489 -5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 711 14.802 4.764 -6.312 1.00 0.00 H new ATOM 422 N GLU A 712 10.635 4.396 -3.922 1.00 0.00 N ATOM 423 CA GLU A 712 11.000 3.678 -2.703 1.00 0.00 C ATOM 424 C GLU A 712 9.955 2.616 -2.390 1.00 0.00 C ATOM 425 O GLU A 712 10.227 1.629 -1.709 1.00 0.00 O ATOM 426 CB GLU A 712 11.106 4.651 -1.526 1.00 0.00 C ATOM 427 CG GLU A 712 11.471 6.064 -1.942 1.00 0.00 C ATOM 428 CD GLU A 712 12.870 6.160 -2.519 1.00 0.00 C ATOM 429 OE1 GLU A 712 13.837 6.187 -1.729 1.00 0.00 O ATOM 430 OE2 GLU A 712 12.998 6.206 -3.760 1.00 0.00 O ATOM 0 H GLU A 712 9.959 5.146 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 712 11.967 3.199 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 712 10.155 4.671 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 712 11.855 4.282 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 712 10.752 6.418 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 712 11.392 6.725 -1.079 1.00 0.00 H new ATOM 437 N LEU A 713 8.749 2.854 -2.890 1.00 0.00 N ATOM 438 CA LEU A 713 7.620 1.949 -2.698 1.00 0.00 C ATOM 439 C LEU A 713 7.951 0.520 -3.128 1.00 0.00 C ATOM 440 O LEU A 713 7.468 -0.442 -2.532 1.00 0.00 O ATOM 441 CB LEU A 713 6.425 2.465 -3.504 1.00 0.00 C ATOM 442 CG LEU A 713 5.132 2.701 -2.719 1.00 0.00 C ATOM 443 CD1 LEU A 713 5.404 3.491 -1.455 1.00 0.00 C ATOM 444 CD2 LEU A 713 4.130 3.442 -3.580 1.00 0.00 C ATOM 0 H LEU A 713 8.524 3.682 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 713 7.383 1.924 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 713 6.712 3.402 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 713 6.216 1.752 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 713 4.721 1.731 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 713 4.470 3.646 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 713 6.101 2.939 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 713 5.837 4.457 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 713 3.213 3.605 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.548 4.403 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 713 3.907 2.851 -4.468 1.00 0.00 H new ATOM 456 N SER A 714 8.775 0.388 -4.162 1.00 0.00 N ATOM 457 CA SER A 714 9.153 -0.924 -4.679 1.00 0.00 C ATOM 458 C SER A 714 9.992 -1.710 -3.671 1.00 0.00 C ATOM 459 O SER A 714 10.169 -2.920 -3.810 1.00 0.00 O ATOM 460 CB SER A 714 9.920 -0.772 -5.992 1.00 0.00 C ATOM 461 OG SER A 714 11.100 -0.007 -5.810 1.00 0.00 O ATOM 0 H SER A 714 9.195 1.173 -4.659 1.00 0.00 H new ATOM 0 HA SER A 714 8.236 -1.485 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 714 10.178 -1.757 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 714 9.283 -0.292 -6.735 1.00 0.00 H new ATOM 0 HG SER A 714 11.573 0.074 -6.665 1.00 0.00 H new ATOM 467 N ASN A 715 10.505 -1.018 -2.659 1.00 0.00 N ATOM 468 CA ASN A 715 11.325 -1.656 -1.633 1.00 0.00 C ATOM 469 C ASN A 715 10.478 -2.080 -0.436 1.00 0.00 C ATOM 470 O ASN A 715 11.008 -2.508 0.591 1.00 0.00 O ATOM 471 CB ASN A 715 12.438 -0.710 -1.177 1.00 0.00 C ATOM 472 CG ASN A 715 13.391 -0.355 -2.301 1.00 0.00 C ATOM 473 OD1 ASN A 715 13.595 -1.139 -3.229 1.00 0.00 O ATOM 474 ND2 ASN A 715 13.984 0.831 -2.224 1.00 0.00 N ATOM 0 H ASN A 715 10.368 -0.016 -2.527 1.00 0.00 H new ATOM 0 HA ASN A 715 11.772 -2.549 -2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 715 11.995 0.203 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 715 12.996 -1.175 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 715 14.637 1.123 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 715 13.786 1.450 -1.438 1.00 0.00 H new ATOM 481 N LEU A 716 9.162 -1.958 -0.574 1.00 0.00 N ATOM 482 CA LEU A 716 8.241 -2.328 0.497 1.00 0.00 C ATOM 483 C LEU A 716 8.038 -3.834 0.560 1.00 0.00 C ATOM 484 O LEU A 716 8.183 -4.537 -0.440 1.00 0.00 O ATOM 485 CB LEU A 716 6.892 -1.636 0.299 1.00 0.00 C ATOM 486 CG LEU A 716 6.886 -0.142 0.621 1.00 0.00 C ATOM 487 CD1 LEU A 716 5.644 0.525 0.058 1.00 0.00 C ATOM 488 CD2 LEU A 716 6.965 0.073 2.123 1.00 0.00 C ATOM 0 H LEU A 716 8.708 -1.606 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 716 8.682 -2.002 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 716 6.578 -1.772 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 716 6.150 -2.131 0.925 1.00 0.00 H new ATOM 0 HG LEU A 716 7.760 0.313 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 716 5.661 1.588 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 716 5.622 0.399 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 716 4.756 0.068 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 716 6.960 1.141 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 716 6.108 -0.398 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 716 7.884 -0.370 2.506 1.00 0.00 H new ATOM 500 N ALA A 717 7.702 -4.321 1.750 1.00 0.00 N ATOM 501 CA ALA A 717 7.464 -5.740 1.958 1.00 0.00 C ATOM 502 C ALA A 717 6.025 -6.096 1.609 1.00 0.00 C ATOM 503 O ALA A 717 5.103 -5.345 1.922 1.00 0.00 O ATOM 504 CB ALA A 717 7.769 -6.115 3.399 1.00 0.00 C ATOM 0 H ALA A 717 7.589 -3.749 2.587 1.00 0.00 H new ATOM 0 HA ALA A 717 8.126 -6.305 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 717 7.587 -7.180 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 717 8.813 -5.891 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 717 7.126 -5.543 4.068 1.00 0.00 H new ATOM 510 N LYS A 718 5.837 -7.238 0.961 1.00 0.00 N ATOM 511 CA LYS A 718 4.504 -7.678 0.571 1.00 0.00 C ATOM 512 C LYS A 718 3.593 -7.812 1.786 1.00 0.00 C ATOM 513 O LYS A 718 4.058 -8.049 2.901 1.00 0.00 O ATOM 514 CB LYS A 718 4.577 -9.008 -0.175 1.00 0.00 C ATOM 515 CG LYS A 718 4.019 -8.943 -1.587 1.00 0.00 C ATOM 516 CD LYS A 718 4.850 -8.039 -2.484 1.00 0.00 C ATOM 517 CE LYS A 718 4.290 -7.995 -3.898 1.00 0.00 C ATOM 518 NZ LYS A 718 4.275 -9.342 -4.532 1.00 0.00 N ATOM 0 H LYS A 718 6.588 -7.875 0.695 1.00 0.00 H new ATOM 0 HA LYS A 718 4.084 -6.922 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 718 5.616 -9.335 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 718 4.029 -9.762 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 718 3.988 -9.946 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 718 2.992 -8.578 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 718 4.872 -7.032 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 718 5.880 -8.396 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 718 3.277 -7.594 -3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 718 4.888 -7.315 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 4.082 -9.245 -5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 5.199 -9.800 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 3.533 -9.924 -4.093 1.00 0.00 H new ATOM 532 N GLY A 719 2.292 -7.663 1.557 1.00 0.00 N ATOM 533 CA GLY A 719 1.330 -7.764 2.639 1.00 0.00 C ATOM 534 C GLY A 719 1.344 -6.540 3.534 1.00 0.00 C ATOM 535 O GLY A 719 0.585 -6.460 4.500 1.00 0.00 O ATOM 0 H GLY A 719 1.887 -7.474 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 719 0.331 -7.897 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 719 1.548 -8.650 3.235 1.00 0.00 H new ATOM 539 N GLU A 720 2.210 -5.586 3.207 1.00 0.00 N ATOM 540 CA GLU A 720 2.332 -4.357 3.984 1.00 0.00 C ATOM 541 C GLU A 720 1.736 -3.172 3.236 1.00 0.00 C ATOM 542 O GLU A 720 1.368 -3.278 2.066 1.00 0.00 O ATOM 543 CB GLU A 720 3.796 -4.065 4.310 1.00 0.00 C ATOM 544 CG GLU A 720 4.464 -5.146 5.140 1.00 0.00 C ATOM 545 CD GLU A 720 3.804 -5.340 6.491 1.00 0.00 C ATOM 546 OE1 GLU A 720 2.847 -6.140 6.574 1.00 0.00 O ATOM 547 OE2 GLU A 720 4.243 -4.695 7.466 1.00 0.00 O ATOM 0 H GLU A 720 2.840 -5.641 2.406 1.00 0.00 H new ATOM 0 HA GLU A 720 1.779 -4.502 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 720 4.349 -3.941 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.858 -3.118 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 720 4.440 -6.087 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 720 5.513 -4.889 5.287 1.00 0.00 H new ATOM 554 N LYS A 721 1.634 -2.046 3.931 1.00 0.00 N ATOM 555 CA LYS A 721 1.091 -0.828 3.342 1.00 0.00 C ATOM 556 C LYS A 721 2.065 0.331 3.489 1.00 0.00 C ATOM 557 O LYS A 721 3.111 0.198 4.125 1.00 0.00 O ATOM 558 CB LYS A 721 -0.233 -0.459 4.002 1.00 0.00 C ATOM 559 CG LYS A 721 -1.429 -1.208 3.443 1.00 0.00 C ATOM 560 CD LYS A 721 -2.382 -1.618 4.551 1.00 0.00 C ATOM 561 CE LYS A 721 -1.756 -2.670 5.454 1.00 0.00 C ATOM 562 NZ LYS A 721 -2.675 -3.084 6.549 1.00 0.00 N ATOM 0 H LYS A 721 1.921 -1.951 4.905 1.00 0.00 H new ATOM 0 HA LYS A 721 0.927 -1.019 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 721 -0.161 -0.655 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 721 -0.400 0.612 3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 721 -1.952 -0.579 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 721 -1.089 -2.093 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 721 -2.655 -0.744 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 721 -3.302 -2.009 4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 721 -1.484 -3.542 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 721 -0.834 -2.277 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 -2.265 -2.817 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 -3.593 -2.611 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 -2.810 -4.115 6.518 1.00 0.00 H new ATOM 576 N ALA A 722 1.712 1.471 2.901 1.00 0.00 N ATOM 577 CA ALA A 722 2.564 2.658 2.987 1.00 0.00 C ATOM 578 C ALA A 722 1.837 3.899 2.494 1.00 0.00 C ATOM 579 O ALA A 722 1.377 3.941 1.356 1.00 0.00 O ATOM 580 CB ALA A 722 3.842 2.449 2.191 1.00 0.00 C ATOM 0 H ALA A 722 0.853 1.600 2.366 1.00 0.00 H new ATOM 0 HA ALA A 722 2.818 2.811 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 722 4.466 3.340 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 722 4.384 1.592 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 722 3.594 2.265 1.146 1.00 0.00 H new ATOM 586 N ASN A 723 1.804 4.932 3.336 1.00 0.00 N ATOM 587 CA ASN A 723 1.120 6.178 3.004 1.00 0.00 C ATOM 588 C ASN A 723 1.892 6.988 1.975 1.00 0.00 C ATOM 589 O ASN A 723 2.958 7.533 2.263 1.00 0.00 O ATOM 590 CB ASN A 723 0.900 7.019 4.264 1.00 0.00 C ATOM 591 CG ASN A 723 0.130 6.274 5.339 1.00 0.00 C ATOM 592 OD1 ASN A 723 0.239 5.055 5.469 1.00 0.00 O ATOM 593 ND2 ASN A 723 -0.658 7.008 6.118 1.00 0.00 N ATOM 0 H ASN A 723 2.245 4.928 4.256 1.00 0.00 H new ATOM 0 HA ASN A 723 0.155 5.913 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 723 1.866 7.328 4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 723 0.359 7.928 3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 723 -1.201 6.563 6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 723 -0.719 8.016 5.976 1.00 0.00 H new ATOM 600 N VAL A 724 1.337 7.056 0.771 1.00 0.00 N ATOM 601 CA VAL A 724 1.947 7.809 -0.309 1.00 0.00 C ATOM 602 C VAL A 724 0.912 8.634 -1.060 1.00 0.00 C ATOM 603 O VAL A 724 -0.260 8.268 -1.131 1.00 0.00 O ATOM 604 CB VAL A 724 2.681 6.897 -1.304 1.00 0.00 C ATOM 605 CG1 VAL A 724 3.925 6.315 -0.660 1.00 0.00 C ATOM 606 CG2 VAL A 724 1.763 5.793 -1.805 1.00 0.00 C ATOM 0 H VAL A 724 0.462 6.595 0.521 1.00 0.00 H new ATOM 0 HA VAL A 724 2.674 8.475 0.155 1.00 0.00 H new ATOM 0 HB VAL A 724 2.984 7.495 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 724 4.437 5.670 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 724 4.591 7.124 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 724 3.642 5.732 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 724 2.305 5.160 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 724 1.424 5.191 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.901 6.235 -2.305 1.00 0.00 H new ATOM 616 N LEU A 725 1.354 9.750 -1.620 1.00 0.00 N ATOM 617 CA LEU A 725 0.465 10.630 -2.365 1.00 0.00 C ATOM 618 C LEU A 725 0.127 10.024 -3.718 1.00 0.00 C ATOM 619 O LEU A 725 0.987 9.440 -4.378 1.00 0.00 O ATOM 620 CB LEU A 725 1.110 12.001 -2.570 1.00 0.00 C ATOM 621 CG LEU A 725 2.351 12.269 -1.722 1.00 0.00 C ATOM 622 CD1 LEU A 725 3.102 13.483 -2.247 1.00 0.00 C ATOM 623 CD2 LEU A 725 1.965 12.461 -0.263 1.00 0.00 C ATOM 0 H LEU A 725 2.322 10.068 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 725 -0.451 10.750 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 725 1.379 12.105 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.368 12.770 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 725 3.012 11.405 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 725 3.984 13.660 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 725 3.409 13.303 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 725 2.452 14.357 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 725 2.861 12.651 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 725 1.285 13.309 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.472 11.561 0.104 1.00 0.00 H new ATOM 635 N ILE A 726 -1.127 10.161 -4.126 1.00 0.00 N ATOM 636 CA ILE A 726 -1.561 9.630 -5.409 1.00 0.00 C ATOM 637 C ILE A 726 -1.766 10.748 -6.423 1.00 0.00 C ATOM 638 O ILE A 726 -2.154 10.503 -7.566 1.00 0.00 O ATOM 639 CB ILE A 726 -2.862 8.823 -5.282 1.00 0.00 C ATOM 640 CG1 ILE A 726 -3.913 9.616 -4.499 1.00 0.00 C ATOM 641 CG2 ILE A 726 -2.587 7.480 -4.619 1.00 0.00 C ATOM 642 CD1 ILE A 726 -5.253 8.918 -4.404 1.00 0.00 C ATOM 0 H ILE A 726 -1.857 10.632 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 726 -0.770 8.965 -5.755 1.00 0.00 H new ATOM 0 HB ILE A 726 -3.257 8.637 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 726 -3.539 9.804 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 726 -4.052 10.587 -4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 726 -3.517 6.918 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 726 -1.875 6.916 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 726 -2.171 7.643 -3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -5.947 9.538 -3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -5.650 8.754 -5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 726 -5.129 7.959 -3.901 1.00 0.00 H new ATOM 654 N GLY A 727 -1.502 11.972 -5.992 1.00 0.00 N ATOM 655 CA GLY A 727 -1.658 13.121 -6.864 1.00 0.00 C ATOM 656 C GLY A 727 -1.179 14.406 -6.220 1.00 0.00 C ATOM 657 O GLY A 727 0.007 14.732 -6.275 1.00 0.00 O ATOM 0 H GLY A 727 -1.181 12.192 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 727 -1.103 12.951 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 727 -2.708 13.225 -7.139 1.00 0.00 H new ATOM 661 N GLN A 728 -2.105 15.138 -5.607 1.00 0.00 N ATOM 662 CA GLN A 728 -1.774 16.396 -4.946 1.00 0.00 C ATOM 663 C GLN A 728 -2.732 16.670 -3.791 1.00 0.00 C ATOM 664 O GLN A 728 -3.918 16.926 -4.003 1.00 0.00 O ATOM 665 CB GLN A 728 -1.821 17.551 -5.949 1.00 0.00 C ATOM 666 CG GLN A 728 -1.381 18.885 -5.364 1.00 0.00 C ATOM 667 CD GLN A 728 0.069 18.881 -4.922 1.00 0.00 C ATOM 668 OE1 GLN A 728 0.899 18.160 -5.477 1.00 0.00 O ATOM 669 NE2 GLN A 728 0.384 19.690 -3.918 1.00 0.00 N ATOM 0 H GLN A 728 -3.091 14.881 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 728 -0.764 16.314 -4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 728 -1.183 17.309 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 728 -2.837 17.649 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 728 -1.528 19.669 -6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 728 -2.015 19.130 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 728 -0.335 20.271 -3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 728 1.345 19.731 -3.578 1.00 0.00 H new ATOM 678 N GLY A 729 -2.211 16.612 -2.569 1.00 0.00 N ATOM 679 CA GLY A 729 -3.035 16.856 -1.398 1.00 0.00 C ATOM 680 C GLY A 729 -3.880 15.654 -1.020 1.00 0.00 C ATOM 681 O GLY A 729 -4.931 15.798 -0.395 1.00 0.00 O ATOM 0 H GLY A 729 -1.234 16.401 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 729 -2.395 17.125 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 729 -3.687 17.709 -1.588 1.00 0.00 H new ATOM 685 N ASP A 730 -3.418 14.467 -1.400 1.00 0.00 N ATOM 686 CA ASP A 730 -4.134 13.233 -1.100 1.00 0.00 C ATOM 687 C ASP A 730 -3.173 12.153 -0.613 1.00 0.00 C ATOM 688 O ASP A 730 -2.527 11.474 -1.413 1.00 0.00 O ATOM 689 CB ASP A 730 -4.891 12.749 -2.339 1.00 0.00 C ATOM 690 CG ASP A 730 -4.123 13.000 -3.621 1.00 0.00 C ATOM 691 OD1 ASP A 730 -3.050 12.387 -3.801 1.00 0.00 O ATOM 692 OD2 ASP A 730 -4.591 13.815 -4.442 1.00 0.00 O ATOM 0 H ASP A 730 -2.549 14.334 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 730 -4.850 13.436 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -5.094 11.682 -2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -5.856 13.254 -2.392 1.00 0.00 H new ATOM 697 N VAL A 731 -3.085 12.003 0.706 1.00 0.00 N ATOM 698 CA VAL A 731 -2.200 11.015 1.307 1.00 0.00 C ATOM 699 C VAL A 731 -2.944 9.722 1.630 1.00 0.00 C ATOM 700 O VAL A 731 -3.766 9.675 2.545 1.00 0.00 O ATOM 701 CB VAL A 731 -1.553 11.556 2.596 1.00 0.00 C ATOM 702 CG1 VAL A 731 -0.640 10.509 3.217 1.00 0.00 C ATOM 703 CG2 VAL A 731 -0.787 12.838 2.310 1.00 0.00 C ATOM 0 H VAL A 731 -3.618 12.555 1.378 1.00 0.00 H new ATOM 0 HA VAL A 731 -1.421 10.804 0.574 1.00 0.00 H new ATOM 0 HB VAL A 731 -2.345 11.783 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 731 -0.192 10.910 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 731 -1.220 9.619 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 731 0.147 10.247 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 731 -0.337 13.206 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 731 -0.004 12.639 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 731 -1.470 13.590 1.915 1.00 0.00 H new ATOM 713 N VAL A 732 -2.643 8.679 0.869 1.00 0.00 N ATOM 714 CA VAL A 732 -3.262 7.373 1.064 1.00 0.00 C ATOM 715 C VAL A 732 -2.210 6.274 0.968 1.00 0.00 C ATOM 716 O VAL A 732 -1.279 6.368 0.172 1.00 0.00 O ATOM 717 CB VAL A 732 -4.361 7.105 0.016 1.00 0.00 C ATOM 718 CG1 VAL A 732 -5.465 8.145 0.116 1.00 0.00 C ATOM 719 CG2 VAL A 732 -3.773 7.080 -1.387 1.00 0.00 C ATOM 0 H VAL A 732 -1.968 8.712 0.105 1.00 0.00 H new ATOM 0 HA VAL A 732 -3.716 7.372 2.055 1.00 0.00 H new ATOM 0 HB VAL A 732 -4.795 6.126 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 732 -6.230 7.937 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 732 -5.911 8.108 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 732 -5.047 9.137 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 732 -4.566 6.889 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 732 -3.308 8.042 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 732 -3.024 6.291 -1.454 1.00 0.00 H new ATOM 729 N LEU A 733 -2.367 5.228 1.764 1.00 0.00 N ATOM 730 CA LEU A 733 -1.412 4.125 1.753 1.00 0.00 C ATOM 731 C LEU A 733 -1.779 3.105 0.693 1.00 0.00 C ATOM 732 O LEU A 733 -2.919 3.060 0.236 1.00 0.00 O ATOM 733 CB LEU A 733 -1.290 3.440 3.126 1.00 0.00 C ATOM 734 CG LEU A 733 -2.601 3.140 3.849 1.00 0.00 C ATOM 735 CD1 LEU A 733 -2.393 2.060 4.899 1.00 0.00 C ATOM 736 CD2 LEU A 733 -3.143 4.396 4.495 1.00 0.00 C ATOM 0 H LEU A 733 -3.139 5.117 2.421 1.00 0.00 H new ATOM 0 HA LEU A 733 -0.439 4.556 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -0.749 2.503 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -0.680 4.072 3.771 1.00 0.00 H new ATOM 0 HG LEU A 733 -3.325 2.781 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -3.337 1.858 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -2.037 1.149 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -1.656 2.398 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -4.078 4.168 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -2.419 4.776 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -3.324 5.150 3.729 1.00 0.00 H new ATOM 748 N VAL A 734 -0.797 2.317 0.264 1.00 0.00 N ATOM 749 CA VAL A 734 -1.041 1.306 -0.741 1.00 0.00 C ATOM 750 C VAL A 734 -0.872 -0.072 -0.162 1.00 0.00 C ATOM 751 O VAL A 734 -0.339 -0.228 0.934 1.00 0.00 O ATOM 752 CB VAL A 734 -0.139 1.457 -1.970 1.00 0.00 C ATOM 753 CG1 VAL A 734 -0.988 1.885 -3.146 1.00 0.00 C ATOM 754 CG2 VAL A 734 0.985 2.449 -1.713 1.00 0.00 C ATOM 0 H VAL A 734 0.166 2.364 0.598 1.00 0.00 H new ATOM 0 HA VAL A 734 -2.071 1.446 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 734 0.332 0.499 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -0.358 1.996 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -1.751 1.130 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -1.468 2.837 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 734 1.607 2.533 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 734 0.562 3.424 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 734 1.593 2.101 -0.878 1.00 0.00 H new ATOM 764 N MET A 735 -1.335 -1.059 -0.908 1.00 0.00 N ATOM 765 CA MET A 735 -1.263 -2.443 -0.486 1.00 0.00 C ATOM 766 C MET A 735 -0.559 -3.285 -1.537 1.00 0.00 C ATOM 767 O MET A 735 -1.025 -3.408 -2.668 1.00 0.00 O ATOM 768 CB MET A 735 -2.672 -2.967 -0.249 1.00 0.00 C ATOM 769 CG MET A 735 -2.890 -3.491 1.159 1.00 0.00 C ATOM 770 SD MET A 735 -2.959 -5.290 1.231 1.00 0.00 S ATOM 771 CE MET A 735 -1.299 -5.704 0.705 1.00 0.00 C ATOM 0 H MET A 735 -1.770 -0.923 -1.820 1.00 0.00 H new ATOM 0 HA MET A 735 -0.690 -2.507 0.439 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.387 -2.168 -0.447 1.00 0.00 H new ATOM 0 HB3 MET A 735 -2.880 -3.765 -0.962 1.00 0.00 H new ATOM 0 HG2 MET A 735 -2.085 -3.137 1.802 1.00 0.00 H new ATOM 0 HG3 MET A 735 -3.819 -3.080 1.555 1.00 0.00 H new ATOM 0 HE1 MET A 735 -1.039 -6.697 1.070 1.00 0.00 H new ATOM 0 HE2 MET A 735 -1.249 -5.693 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 735 -0.597 -4.974 1.108 1.00 0.00 H new ATOM 781 N LYS A 736 0.567 -3.866 -1.157 1.00 0.00 N ATOM 782 CA LYS A 736 1.343 -4.690 -2.074 1.00 0.00 C ATOM 783 C LYS A 736 0.535 -5.901 -2.552 1.00 0.00 C ATOM 784 O LYS A 736 -0.619 -6.082 -2.162 1.00 0.00 O ATOM 785 CB LYS A 736 2.643 -5.135 -1.404 1.00 0.00 C ATOM 786 CG LYS A 736 3.090 -4.212 -0.282 1.00 0.00 C ATOM 787 CD LYS A 736 3.709 -2.942 -0.822 1.00 0.00 C ATOM 788 CE LYS A 736 3.210 -1.725 -0.065 1.00 0.00 C ATOM 789 NZ LYS A 736 1.732 -1.585 -0.146 1.00 0.00 N ATOM 0 H LYS A 736 0.965 -3.784 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 736 1.586 -4.091 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 736 2.512 -6.141 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 736 3.431 -5.189 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.236 -3.963 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 736 3.812 -4.729 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 736 4.795 -3.002 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 736 3.470 -2.839 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 736 3.510 -1.800 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 736 3.682 -0.829 -0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 1.462 -0.609 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 1.415 -1.808 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 1.284 -2.240 0.526 1.00 0.00 H new ATOM 803 N ARG A 737 1.143 -6.728 -3.399 1.00 0.00 N ATOM 804 CA ARG A 737 0.465 -7.907 -3.939 1.00 0.00 C ATOM 805 C ARG A 737 0.501 -9.080 -2.967 1.00 0.00 C ATOM 806 O ARG A 737 1.540 -9.709 -2.781 1.00 0.00 O ATOM 807 CB ARG A 737 1.104 -8.331 -5.263 1.00 0.00 C ATOM 808 CG ARG A 737 1.326 -7.184 -6.232 1.00 0.00 C ATOM 809 CD ARG A 737 2.120 -7.632 -7.448 1.00 0.00 C ATOM 810 NE ARG A 737 2.511 -6.507 -8.292 1.00 0.00 N ATOM 811 CZ ARG A 737 3.394 -6.603 -9.283 1.00 0.00 C ATOM 812 NH1 ARG A 737 3.969 -7.767 -9.552 1.00 0.00 N ATOM 813 NH2 ARG A 737 3.701 -5.534 -10.003 1.00 0.00 N ATOM 0 H ARG A 737 2.101 -6.605 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.576 -7.629 -4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 737 2.061 -8.810 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 737 0.469 -9.079 -5.739 1.00 0.00 H new ATOM 0 HG2 ARG A 737 0.364 -6.784 -6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 737 1.856 -6.376 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 737 3.012 -8.167 -7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 737 1.524 -8.333 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 737 2.084 -5.598 -8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 737 3.735 -8.591 -8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 737 4.645 -7.838 -10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 737 3.261 -4.637 -9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 737 4.378 -5.608 -10.762 1.00 0.00 H new ATOM 827 N LYS A 738 -0.642 -9.379 -2.361 1.00 0.00 N ATOM 828 CA LYS A 738 -0.734 -10.491 -1.425 1.00 0.00 C ATOM 829 C LYS A 738 -0.320 -11.788 -2.111 1.00 0.00 C ATOM 830 O LYS A 738 0.237 -12.689 -1.484 1.00 0.00 O ATOM 831 CB LYS A 738 -2.159 -10.624 -0.886 1.00 0.00 C ATOM 832 CG LYS A 738 -3.199 -10.861 -1.970 1.00 0.00 C ATOM 833 CD LYS A 738 -4.347 -11.722 -1.468 1.00 0.00 C ATOM 834 CE LYS A 738 -5.142 -11.023 -0.377 1.00 0.00 C ATOM 835 NZ LYS A 738 -6.258 -11.870 0.125 1.00 0.00 N ATOM 0 H LYS A 738 -1.514 -8.869 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 738 -0.061 -10.295 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 738 -2.194 -11.448 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 738 -2.417 -9.718 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 738 -3.587 -9.904 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 738 -2.729 -11.344 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 738 -5.008 -11.967 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 738 -3.954 -12.664 -1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 738 -4.479 -10.769 0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 738 -5.543 -10.086 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 738 -7.011 -11.262 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 738 -6.638 -12.442 -0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 738 -5.907 -12.498 0.876 1.00 0.00 H new ATOM 849 N ARG A 739 -0.599 -11.864 -3.411 1.00 0.00 N ATOM 850 CA ARG A 739 -0.262 -13.038 -4.207 1.00 0.00 C ATOM 851 C ARG A 739 -0.563 -12.789 -5.684 1.00 0.00 C ATOM 852 O ARG A 739 -0.036 -13.476 -6.559 1.00 0.00 O ATOM 853 CB ARG A 739 -1.042 -14.259 -3.711 1.00 0.00 C ATOM 854 CG ARG A 739 -0.693 -15.546 -4.441 1.00 0.00 C ATOM 855 CD ARG A 739 -1.368 -16.749 -3.803 1.00 0.00 C ATOM 856 NE ARG A 739 -0.933 -16.953 -2.424 1.00 0.00 N ATOM 857 CZ ARG A 739 -1.227 -18.035 -1.708 1.00 0.00 C ATOM 858 NH1 ARG A 739 -1.954 -19.009 -2.241 1.00 0.00 N ATOM 859 NH2 ARG A 739 -0.794 -18.144 -0.460 1.00 0.00 N ATOM 0 H ARG A 739 -1.060 -11.121 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 739 0.805 -13.233 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 739 -0.851 -14.393 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 739 -2.109 -14.067 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 739 -0.998 -15.468 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 739 0.388 -15.688 -4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 739 -2.449 -16.612 -3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 739 -1.147 -17.641 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 739 -0.371 -16.224 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 739 -2.288 -18.929 -3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 739 -2.178 -19.838 -1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 739 -0.235 -17.398 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 739 -1.020 -18.974 0.088 1.00 0.00 H new ATOM 873 N ASP A 740 -1.412 -11.800 -5.951 1.00 0.00 N ATOM 874 CA ASP A 740 -1.784 -11.457 -7.320 1.00 0.00 C ATOM 875 C ASP A 740 -0.599 -10.857 -8.072 1.00 0.00 C ATOM 876 O ASP A 740 0.511 -10.786 -7.545 1.00 0.00 O ATOM 877 CB ASP A 740 -2.954 -10.472 -7.323 1.00 0.00 C ATOM 878 CG ASP A 740 -4.181 -11.027 -6.625 1.00 0.00 C ATOM 879 OD1 ASP A 740 -4.288 -10.861 -5.393 1.00 0.00 O ATOM 880 OD2 ASP A 740 -5.035 -11.626 -7.312 1.00 0.00 O ATOM 0 H ASP A 740 -1.855 -11.222 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 740 -2.088 -12.373 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 740 -2.648 -9.548 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 740 -3.209 -10.218 -8.352 1.00 0.00 H new ATOM 885 N SER A 741 -0.845 -10.425 -9.306 1.00 0.00 N ATOM 886 CA SER A 741 0.204 -9.834 -10.131 1.00 0.00 C ATOM 887 C SER A 741 -0.383 -8.959 -11.226 1.00 0.00 C ATOM 888 O SER A 741 -1.536 -8.538 -11.145 1.00 0.00 O ATOM 889 CB SER A 741 1.075 -10.931 -10.745 1.00 0.00 C ATOM 890 OG SER A 741 0.307 -11.789 -11.572 1.00 0.00 O ATOM 0 H SER A 741 -1.759 -10.473 -9.756 1.00 0.00 H new ATOM 0 HA SER A 741 0.821 -9.205 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 741 1.876 -10.479 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 741 1.547 -11.511 -9.952 1.00 0.00 H new ATOM 0 HG SER A 741 0.887 -12.481 -11.954 1.00 0.00 H new ATOM 896 N SER A 742 0.429 -8.688 -12.246 1.00 0.00 N ATOM 897 CA SER A 742 0.020 -7.852 -13.367 1.00 0.00 C ATOM 898 C SER A 742 -0.149 -6.404 -12.921 1.00 0.00 C ATOM 899 O SER A 742 0.724 -5.569 -13.160 1.00 0.00 O ATOM 900 CB SER A 742 -1.277 -8.372 -13.995 1.00 0.00 C ATOM 901 OG SER A 742 -1.655 -7.583 -15.109 1.00 0.00 O ATOM 0 H SER A 742 1.383 -9.041 -12.317 1.00 0.00 H new ATOM 0 HA SER A 742 0.804 -7.894 -14.123 1.00 0.00 H new ATOM 0 HB2 SER A 742 -1.144 -9.408 -14.307 1.00 0.00 H new ATOM 0 HB3 SER A 742 -2.074 -8.363 -13.252 1.00 0.00 H new ATOM 0 HG SER A 742 -2.485 -7.936 -15.493 1.00 0.00 H new ATOM 907 N ILE A 743 -1.273 -6.108 -12.272 1.00 0.00 N ATOM 908 CA ILE A 743 -1.549 -4.759 -11.801 1.00 0.00 C ATOM 909 C ILE A 743 -2.192 -4.775 -10.426 1.00 0.00 C ATOM 910 O ILE A 743 -2.381 -3.730 -9.803 1.00 0.00 O ATOM 911 CB ILE A 743 -2.465 -4.021 -12.786 1.00 0.00 C ATOM 912 CG1 ILE A 743 -3.909 -4.522 -12.666 1.00 0.00 C ATOM 913 CG2 ILE A 743 -1.949 -4.224 -14.198 1.00 0.00 C ATOM 914 CD1 ILE A 743 -4.889 -3.772 -13.543 1.00 0.00 C ATOM 0 H ILE A 743 -2.005 -6.786 -12.062 1.00 0.00 H new ATOM 0 HA ILE A 743 -0.596 -4.235 -11.732 1.00 0.00 H new ATOM 0 HB ILE A 743 -2.460 -2.957 -12.548 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -3.940 -5.580 -12.925 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -4.228 -4.439 -11.627 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -2.597 -3.701 -14.901 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -0.936 -3.829 -14.276 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -1.942 -5.288 -14.433 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -5.889 -4.182 -13.404 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -4.888 -2.717 -13.269 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -4.596 -3.876 -14.588 1.00 0.00 H new ATOM 926 N LEU A 744 -2.531 -5.970 -9.972 1.00 0.00 N ATOM 927 CA LEU A 744 -3.146 -6.162 -8.667 1.00 0.00 C ATOM 928 C LEU A 744 -4.566 -5.603 -8.632 1.00 0.00 C ATOM 929 O LEU A 744 -5.540 -6.343 -8.771 1.00 0.00 O ATOM 930 CB LEU A 744 -2.298 -5.511 -7.566 1.00 0.00 C ATOM 931 CG LEU A 744 -2.093 -6.354 -6.304 1.00 0.00 C ATOM 932 CD1 LEU A 744 -1.550 -5.491 -5.175 1.00 0.00 C ATOM 933 CD2 LEU A 744 -3.384 -7.035 -5.879 1.00 0.00 C ATOM 0 H LEU A 744 -2.388 -6.834 -10.496 1.00 0.00 H new ATOM 0 HA LEU A 744 -3.198 -7.235 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 744 -1.320 -5.267 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 744 -2.767 -4.569 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 744 -1.365 -7.132 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 744 -1.409 -6.103 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 744 -0.594 -5.060 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 744 -2.257 -4.690 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 744 -3.205 -7.626 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 744 -4.143 -6.280 -5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 744 -3.731 -7.688 -6.679 1.00 0.00 H new ATOM 945 N THR A 745 -4.665 -4.295 -8.444 1.00 0.00 N ATOM 946 CA THR A 745 -5.956 -3.611 -8.379 1.00 0.00 C ATOM 947 C THR A 745 -6.812 -3.906 -9.609 1.00 0.00 C ATOM 948 O THR A 745 -6.303 -4.323 -10.650 1.00 0.00 O ATOM 949 CB THR A 745 -5.775 -2.086 -8.257 1.00 0.00 C ATOM 950 OG1 THR A 745 -4.738 -1.789 -7.316 1.00 0.00 O ATOM 951 CG2 THR A 745 -7.069 -1.418 -7.814 1.00 0.00 C ATOM 0 H THR A 745 -3.860 -3.678 -8.332 1.00 0.00 H new ATOM 0 HA THR A 745 -6.463 -3.990 -7.491 1.00 0.00 H new ATOM 0 HB THR A 745 -5.501 -1.698 -9.238 1.00 0.00 H new ATOM 0 HG1 THR A 745 -3.865 -1.957 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 745 -6.915 -0.342 -7.735 1.00 0.00 H new ATOM 0 HG22 THR A 745 -7.852 -1.620 -8.545 1.00 0.00 H new ATOM 0 HG23 THR A 745 -7.369 -1.813 -6.843 1.00 0.00 H new ATOM 959 N ASP A 746 -8.116 -3.683 -9.476 1.00 0.00 N ATOM 960 CA ASP A 746 -9.053 -3.912 -10.568 1.00 0.00 C ATOM 961 C ASP A 746 -10.127 -2.827 -10.596 1.00 0.00 C ATOM 962 O ASP A 746 -10.800 -2.629 -11.607 1.00 0.00 O ATOM 963 CB ASP A 746 -9.703 -5.290 -10.431 1.00 0.00 C ATOM 964 CG ASP A 746 -10.604 -5.623 -11.604 1.00 0.00 C ATOM 965 OD1 ASP A 746 -11.803 -5.276 -11.550 1.00 0.00 O ATOM 966 OD2 ASP A 746 -10.110 -6.231 -12.577 1.00 0.00 O ATOM 0 H ASP A 746 -8.548 -3.342 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 746 -8.499 -3.874 -11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -8.925 -6.049 -10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -10.283 -5.325 -9.509 1.00 0.00 H new ATOM 971 N SER A 747 -10.278 -2.124 -9.476 1.00 0.00 N ATOM 972 CA SER A 747 -11.269 -1.059 -9.367 1.00 0.00 C ATOM 973 C SER A 747 -10.853 -0.035 -8.314 1.00 0.00 C ATOM 974 O SER A 747 -10.411 -0.398 -7.224 1.00 0.00 O ATOM 975 CB SER A 747 -12.640 -1.642 -9.017 1.00 0.00 C ATOM 976 OG SER A 747 -13.088 -2.533 -10.024 1.00 0.00 O ATOM 0 H SER A 747 -9.726 -2.274 -8.631 1.00 0.00 H new ATOM 0 HA SER A 747 -11.333 -0.556 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 747 -12.583 -2.166 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 747 -13.362 -0.834 -8.895 1.00 0.00 H new ATOM 0 HG SER A 747 -13.965 -2.893 -9.776 1.00 0.00 H new ATOM 982 N GLN A 748 -10.996 1.245 -8.650 1.00 0.00 N ATOM 983 CA GLN A 748 -10.632 2.321 -7.733 1.00 0.00 C ATOM 984 C GLN A 748 -11.835 2.772 -6.911 1.00 0.00 C ATOM 985 O GLN A 748 -11.737 3.706 -6.114 1.00 0.00 O ATOM 986 CB GLN A 748 -10.057 3.510 -8.507 1.00 0.00 C ATOM 987 CG GLN A 748 -11.013 4.084 -9.540 1.00 0.00 C ATOM 988 CD GLN A 748 -10.430 5.274 -10.276 1.00 0.00 C ATOM 989 OE1 GLN A 748 -9.217 5.369 -10.464 1.00 0.00 O ATOM 990 NE2 GLN A 748 -11.293 6.191 -10.696 1.00 0.00 N ATOM 0 H GLN A 748 -11.361 1.561 -9.549 1.00 0.00 H new ATOM 0 HA GLN A 748 -9.873 1.937 -7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -9.784 4.295 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -9.140 3.198 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -11.273 3.308 -10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -11.938 4.384 -9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -12.290 6.072 -10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -10.959 7.015 -11.196 1.00 0.00 H new ATOM 999 N THR A 749 -12.967 2.105 -7.108 1.00 0.00 N ATOM 1000 CA THR A 749 -14.186 2.443 -6.384 1.00 0.00 C ATOM 1001 C THR A 749 -14.025 2.185 -4.891 1.00 0.00 C ATOM 1002 O THR A 749 -14.688 2.816 -4.067 1.00 0.00 O ATOM 1003 CB THR A 749 -15.395 1.644 -6.906 1.00 0.00 C ATOM 1004 OG1 THR A 749 -16.563 1.968 -6.144 1.00 0.00 O ATOM 1005 CG2 THR A 749 -15.131 0.148 -6.825 1.00 0.00 C ATOM 0 H THR A 749 -13.065 1.328 -7.762 1.00 0.00 H new ATOM 0 HA THR A 749 -14.367 3.505 -6.551 1.00 0.00 H new ATOM 0 HB THR A 749 -15.556 1.913 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 749 -17.327 1.457 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 749 -15.999 -0.395 -7.199 1.00 0.00 H new ATOM 0 HG22 THR A 749 -14.259 -0.101 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 749 -14.946 -0.133 -5.788 1.00 0.00 H new ATOM 1013 N ALA A 750 -13.141 1.255 -4.547 1.00 0.00 N ATOM 1014 CA ALA A 750 -12.893 0.914 -3.153 1.00 0.00 C ATOM 1015 C ALA A 750 -11.793 1.791 -2.561 1.00 0.00 C ATOM 1016 O ALA A 750 -10.606 1.505 -2.717 1.00 0.00 O ATOM 1017 CB ALA A 750 -12.525 -0.558 -3.028 1.00 0.00 C ATOM 0 H ALA A 750 -12.584 0.724 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 750 -13.808 1.097 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 750 -12.342 -0.800 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 750 -13.344 -1.171 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 750 -11.625 -0.759 -3.609 1.00 0.00 H new ATOM 1023 N THR A 751 -12.197 2.864 -1.886 1.00 0.00 N ATOM 1024 CA THR A 751 -11.244 3.781 -1.271 1.00 0.00 C ATOM 1025 C THR A 751 -11.059 3.462 0.209 1.00 0.00 C ATOM 1026 O THR A 751 -9.980 3.660 0.764 1.00 0.00 O ATOM 1027 CB THR A 751 -11.691 5.247 -1.426 1.00 0.00 C ATOM 1028 OG1 THR A 751 -11.954 5.536 -2.804 1.00 0.00 O ATOM 1029 CG2 THR A 751 -10.625 6.199 -0.902 1.00 0.00 C ATOM 0 H THR A 751 -13.176 3.119 -1.752 1.00 0.00 H new ATOM 0 HA THR A 751 -10.294 3.649 -1.789 1.00 0.00 H new ATOM 0 HB THR A 751 -12.601 5.387 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 751 -12.239 6.469 -2.894 1.00 0.00 H new ATOM 0 HG21 THR A 751 -10.965 7.228 -1.023 1.00 0.00 H new ATOM 0 HG22 THR A 751 -10.445 5.998 0.154 1.00 0.00 H new ATOM 0 HG23 THR A 751 -9.701 6.054 -1.462 1.00 0.00 H new ATOM 1037 N LYS A 752 -12.121 2.979 0.847 1.00 0.00 N ATOM 1038 CA LYS A 752 -12.059 2.613 2.258 1.00 0.00 C ATOM 1039 C LYS A 752 -11.364 1.264 2.405 1.00 0.00 C ATOM 1040 O LYS A 752 -12.011 0.230 2.574 1.00 0.00 O ATOM 1041 CB LYS A 752 -13.465 2.565 2.863 1.00 0.00 C ATOM 1042 CG LYS A 752 -14.455 1.744 2.052 1.00 0.00 C ATOM 1043 CD LYS A 752 -15.829 1.726 2.702 1.00 0.00 C ATOM 1044 CE LYS A 752 -16.795 0.836 1.938 1.00 0.00 C ATOM 1045 NZ LYS A 752 -16.969 1.284 0.529 1.00 0.00 N ATOM 0 H LYS A 752 -13.032 2.832 0.411 1.00 0.00 H new ATOM 0 HA LYS A 752 -11.487 3.368 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 752 -13.403 2.152 3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 752 -13.844 3.583 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 752 -14.533 2.156 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 752 -14.086 0.723 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 752 -15.742 1.373 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 752 -16.225 2.741 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 752 -16.429 -0.191 1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 752 -17.762 0.835 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 752 -17.766 0.774 0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 752 -17.162 2.306 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 752 -16.101 1.086 -0.008 1.00 0.00 H new ATOM 1059 N ARG A 753 -10.035 1.288 2.331 1.00 0.00 N ATOM 1060 CA ARG A 753 -9.229 0.074 2.414 1.00 0.00 C ATOM 1061 C ARG A 753 -9.505 -0.821 1.209 1.00 0.00 C ATOM 1062 O ARG A 753 -10.631 -0.886 0.716 1.00 0.00 O ATOM 1063 CB ARG A 753 -9.479 -0.676 3.725 1.00 0.00 C ATOM 1064 CG ARG A 753 -8.704 -0.101 4.901 1.00 0.00 C ATOM 1065 CD ARG A 753 -8.702 -1.056 6.084 1.00 0.00 C ATOM 1066 NE ARG A 753 -7.811 -0.604 7.150 1.00 0.00 N ATOM 1067 CZ ARG A 753 -7.263 -1.418 8.048 1.00 0.00 C ATOM 1068 NH1 ARG A 753 -7.516 -2.719 8.011 1.00 0.00 N ATOM 1069 NH2 ARG A 753 -6.461 -0.931 8.985 1.00 0.00 N ATOM 0 H ARG A 753 -9.491 2.143 2.213 1.00 0.00 H new ATOM 0 HA ARG A 753 -8.178 0.361 2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 753 -10.545 -0.651 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 753 -9.206 -1.723 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 753 -7.678 0.106 4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 753 -9.145 0.850 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 753 -9.715 -1.152 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 753 -8.394 -2.047 5.750 1.00 0.00 H new ATOM 0 HE ARG A 753 -7.597 0.392 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 753 -8.132 -3.098 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 753 -7.094 -3.340 8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 753 -6.264 0.069 9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 753 -6.042 -1.557 9.673 1.00 0.00 H new ATOM 1083 N ILE A 754 -8.466 -1.499 0.733 1.00 0.00 N ATOM 1084 CA ILE A 754 -8.578 -2.371 -0.433 1.00 0.00 C ATOM 1085 C ILE A 754 -9.799 -3.284 -0.361 1.00 0.00 C ATOM 1086 O ILE A 754 -10.315 -3.578 0.718 1.00 0.00 O ATOM 1087 CB ILE A 754 -7.308 -3.220 -0.628 1.00 0.00 C ATOM 1088 CG1 ILE A 754 -7.207 -4.333 0.426 1.00 0.00 C ATOM 1089 CG2 ILE A 754 -6.080 -2.326 -0.589 1.00 0.00 C ATOM 1090 CD1 ILE A 754 -7.175 -3.839 1.857 1.00 0.00 C ATOM 0 H ILE A 754 -7.531 -1.461 1.139 1.00 0.00 H new ATOM 0 HA ILE A 754 -8.699 -1.711 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 754 -7.365 -3.703 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 754 -8.055 -5.008 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 754 -6.306 -4.916 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 754 -5.184 -2.932 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 754 -6.144 -1.585 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 754 -6.030 -1.819 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 754 -7.103 -4.690 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 754 -6.312 -3.189 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 754 -8.087 -3.282 2.070 1.00 0.00 H new ATOM 1102 N ARG A 755 -10.244 -3.730 -1.532 1.00 0.00 N ATOM 1103 CA ARG A 755 -11.412 -4.598 -1.645 1.00 0.00 C ATOM 1104 C ARG A 755 -11.035 -6.074 -1.523 1.00 0.00 C ATOM 1105 O ARG A 755 -11.665 -6.937 -2.135 1.00 0.00 O ATOM 1106 CB ARG A 755 -12.114 -4.343 -2.985 1.00 0.00 C ATOM 1107 CG ARG A 755 -11.159 -4.055 -4.139 1.00 0.00 C ATOM 1108 CD ARG A 755 -10.395 -5.299 -4.566 1.00 0.00 C ATOM 1109 NE ARG A 755 -11.278 -6.330 -5.103 1.00 0.00 N ATOM 1110 CZ ARG A 755 -10.846 -7.482 -5.608 1.00 0.00 C ATOM 1111 NH1 ARG A 755 -9.547 -7.753 -5.638 1.00 0.00 N ATOM 1112 NH2 ARG A 755 -11.713 -8.366 -6.084 1.00 0.00 N ATOM 0 H ARG A 755 -9.808 -3.501 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 755 -12.088 -4.363 -0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 755 -12.721 -5.213 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 755 -12.796 -3.500 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 755 -11.722 -3.665 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 755 -10.453 -3.280 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 755 -9.655 -5.028 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 755 -9.849 -5.699 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 755 -12.283 -6.157 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 755 -8.876 -7.077 -5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 755 -9.219 -8.638 -6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 755 -12.712 -8.163 -6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 755 -11.380 -9.249 -6.471 1.00 0.00 H new ATOM 1126 N MET A 756 -10.014 -6.362 -0.722 1.00 0.00 N ATOM 1127 CA MET A 756 -9.563 -7.737 -0.528 1.00 0.00 C ATOM 1128 C MET A 756 -8.778 -7.873 0.775 1.00 0.00 C ATOM 1129 O MET A 756 -8.279 -6.888 1.315 1.00 0.00 O ATOM 1130 CB MET A 756 -8.702 -8.177 -1.715 1.00 0.00 C ATOM 1131 CG MET A 756 -8.255 -9.629 -1.646 1.00 0.00 C ATOM 1132 SD MET A 756 -9.639 -10.782 -1.559 1.00 0.00 S ATOM 1133 CE MET A 756 -10.422 -10.496 -3.144 1.00 0.00 C ATOM 0 H MET A 756 -9.485 -5.665 -0.198 1.00 0.00 H new ATOM 0 HA MET A 756 -10.439 -8.382 -0.465 1.00 0.00 H new ATOM 0 HB2 MET A 756 -9.264 -8.023 -2.636 1.00 0.00 H new ATOM 0 HB3 MET A 756 -7.821 -7.538 -1.769 1.00 0.00 H new ATOM 0 HG2 MET A 756 -7.650 -9.860 -2.523 1.00 0.00 H new ATOM 0 HG3 MET A 756 -7.617 -9.767 -0.773 1.00 0.00 H new ATOM 0 HE1 MET A 756 -11.108 -11.314 -3.364 1.00 0.00 H new ATOM 0 HE2 MET A 756 -10.975 -9.557 -3.113 1.00 0.00 H new ATOM 0 HE3 MET A 756 -9.660 -10.443 -3.922 1.00 0.00 H new ATOM 1143 N ALA A 757 -8.679 -9.097 1.282 1.00 0.00 N ATOM 1144 CA ALA A 757 -7.947 -9.350 2.518 1.00 0.00 C ATOM 1145 C ALA A 757 -6.446 -9.199 2.295 1.00 0.00 C ATOM 1146 O ALA A 757 -6.012 -8.678 1.267 1.00 0.00 O ATOM 1147 CB ALA A 757 -8.270 -10.738 3.049 1.00 0.00 C ATOM 0 H ALA A 757 -9.095 -9.927 0.858 1.00 0.00 H new ATOM 0 HA ALA A 757 -8.258 -8.614 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -7.716 -10.913 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -9.339 -10.812 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -7.986 -11.486 2.309 1.00 0.00 H new ATOM 1153 N ILE A 758 -5.656 -9.648 3.266 1.00 0.00 N ATOM 1154 CA ILE A 758 -4.204 -9.564 3.166 1.00 0.00 C ATOM 1155 C ILE A 758 -3.556 -10.890 3.545 1.00 0.00 C ATOM 1156 O ILE A 758 -2.516 -11.264 3.003 1.00 0.00 O ATOM 1157 CB ILE A 758 -3.636 -8.449 4.065 1.00 0.00 C ATOM 1158 CG1 ILE A 758 -4.398 -7.141 3.834 1.00 0.00 C ATOM 1159 CG2 ILE A 758 -2.149 -8.260 3.793 1.00 0.00 C ATOM 1160 CD1 ILE A 758 -3.958 -6.009 4.739 1.00 0.00 C ATOM 0 H ILE A 758 -5.997 -10.073 4.129 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.971 -9.329 2.128 1.00 0.00 H new ATOM 0 HB ILE A 758 -3.761 -8.740 5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -4.269 -6.835 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -5.463 -7.320 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -1.759 -7.469 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -1.620 -9.190 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -2.002 -7.985 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -4.543 -5.117 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -4.113 -6.294 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.901 -5.801 4.573 1.00 0.00 H new ATOM 1172 N ASN A 759 -4.181 -11.597 4.482 1.00 0.00 N ATOM 1173 CA ASN A 759 -3.673 -12.885 4.938 1.00 0.00 C ATOM 1174 C ASN A 759 -3.878 -13.962 3.873 1.00 0.00 C ATOM 1175 O ASN A 759 -2.922 -14.226 3.114 1.00 0.00 O ATOM 1176 CB ASN A 759 -4.355 -13.295 6.248 1.00 0.00 C ATOM 1177 CG ASN A 759 -5.869 -13.325 6.142 1.00 0.00 C ATOM 1178 OD1 ASN A 759 -6.466 -12.583 5.360 1.00 0.00 O ATOM 1179 ND2 ASN A 759 -6.501 -14.187 6.931 1.00 0.00 N ATOM 1180 OXT ASN A 759 -4.988 -14.528 3.805 1.00 0.00 O ATOM 0 H ASN A 759 -5.042 -11.298 4.941 1.00 0.00 H new ATOM 0 HA ASN A 759 -2.603 -12.783 5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 759 -3.997 -14.281 6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 759 -4.065 -12.600 7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 759 -7.519 -14.252 6.903 1.00 0.00 H new ATOM 0 HD22 ASN A 759 -5.969 -14.784 7.564 1.00 0.00 H new