USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 389 hydrogens (16 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 NoAdj-H: A 747 PTR HN2 : A 747 PTR N : A 746 LEU C :(H bumps) USER MOD NoAdj-H: A 759 PTR HN2 : A 759 PTR N : A 758 THR C :(H bumps) USER MOD NoAdj-H: A 759 PTR H : A 759 PTR N : A 758 THR C :(H bumps) USER MOD Single : A 716 LYS NZ :NH3+ 166:sc= -0.0408 (180deg=-0.262) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 170:sc=-0.00546 (180deg=-0.106) USER MOD Single : A 738 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0544) USER MOD Single : A 741 THR OG1 : rot 180:sc= 0 USER MOD Single : A 743 ASN : amide:sc= -2.41! C(o=-2.4!,f=-1.4!) USER MOD Single : A 744 ASN : amide:sc= -0.74 K(o=-0.74,f=-1.7) USER MOD Single : A 748 LYS NZ :NH3+ 174:sc= 1.16 (180deg=0.907) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0.284 USER MOD Single : A 752 SER OG : rot 180:sc= 0.00738 USER MOD Single : A 753 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 THR OG1 : rot -35:sc= 0.27 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 716 2.014 -3.098 -0.683 1.00 13.00 N ATOM 2 CA LYS A 716 3.432 -3.083 -1.042 1.00 3.51 C ATOM 3 C LYS A 716 3.908 -4.439 -1.556 1.00 44.11 C ATOM 4 O LYS A 716 4.942 -4.533 -2.192 1.00 23.41 O ATOM 5 CB LYS A 716 4.312 -2.586 0.148 1.00 34.15 C ATOM 6 CG LYS A 716 4.039 -3.269 1.509 1.00 42.42 C ATOM 7 CD LYS A 716 4.545 -4.711 1.560 1.00 32.31 C ATOM 8 CE LYS A 716 6.070 -4.791 1.530 1.00 44.05 C ATOM 9 NZ LYS A 716 6.684 -4.136 2.707 1.00 51.43 N ATOM 0 HA LYS A 716 3.547 -2.374 -1.862 1.00 3.51 H new ATOM 0 HB2 LYS A 716 5.360 -2.736 -0.110 1.00 34.15 H new ATOM 0 HB3 LYS A 716 4.163 -1.512 0.264 1.00 34.15 H new ATOM 0 HG2 LYS A 716 4.516 -2.693 2.302 1.00 42.42 H new ATOM 0 HG3 LYS A 716 2.967 -3.258 1.708 1.00 42.42 H new ATOM 0 HD2 LYS A 716 4.176 -5.192 2.466 1.00 32.31 H new ATOM 0 HD3 LYS A 716 4.137 -5.267 0.716 1.00 32.31 H new ATOM 0 HE2 LYS A 716 6.377 -5.836 1.496 1.00 44.05 H new ATOM 0 HE3 LYS A 716 6.440 -4.320 0.619 1.00 44.05 H new ATOM 0 HZ1 LYS A 716 7.684 -4.412 2.775 1.00 51.43 H new ATOM 0 HZ2 LYS A 716 6.616 -3.103 2.605 1.00 51.43 H new ATOM 0 HZ3 LYS A 716 6.184 -4.432 3.569 1.00 51.43 H new ATOM 23 N LEU A 717 3.140 -5.481 -1.295 1.00 24.54 N ATOM 24 CA LEU A 717 3.558 -6.827 -1.626 1.00 65.03 C ATOM 25 C LEU A 717 3.445 -7.109 -3.122 1.00 62.11 C ATOM 26 O LEU A 717 4.374 -7.626 -3.724 1.00 21.41 O ATOM 27 CB LEU A 717 2.770 -7.852 -0.811 1.00 2.23 C ATOM 28 CG LEU A 717 3.111 -9.325 -1.056 1.00 1.31 C ATOM 29 CD1 LEU A 717 4.554 -9.619 -0.669 1.00 32.50 C ATOM 30 CD2 LEU A 717 2.158 -10.221 -0.292 1.00 43.10 C ATOM 0 H LEU A 717 2.222 -5.419 -0.854 1.00 24.54 H new ATOM 0 HA LEU A 717 4.612 -6.916 -1.364 1.00 65.03 H new ATOM 0 HB2 LEU A 717 2.923 -7.637 0.247 1.00 2.23 H new ATOM 0 HB3 LEU A 717 1.709 -7.708 -1.016 1.00 2.23 H new ATOM 0 HG LEU A 717 3.000 -9.530 -2.121 1.00 1.31 H new ATOM 0 HD11 LEU A 717 4.773 -10.671 -0.852 1.00 32.50 H new ATOM 0 HD12 LEU A 717 5.224 -9.000 -1.266 1.00 32.50 H new ATOM 0 HD13 LEU A 717 4.700 -9.397 0.388 1.00 32.50 H new ATOM 0 HD21 LEU A 717 2.413 -11.265 -0.476 1.00 43.10 H new ATOM 0 HD22 LEU A 717 2.237 -10.011 0.775 1.00 43.10 H new ATOM 0 HD23 LEU A 717 1.137 -10.033 -0.624 1.00 43.10 H new ATOM 42 N LEU A 718 2.324 -6.751 -3.710 1.00 24.42 N ATOM 43 CA LEU A 718 2.105 -6.987 -5.141 1.00 32.15 C ATOM 44 C LEU A 718 3.137 -6.244 -5.979 1.00 54.11 C ATOM 45 O LEU A 718 3.570 -6.725 -7.028 1.00 45.44 O ATOM 46 CB LEU A 718 0.691 -6.569 -5.551 1.00 54.04 C ATOM 47 CG LEU A 718 -0.461 -7.322 -4.872 1.00 11.41 C ATOM 48 CD1 LEU A 718 -1.799 -6.795 -5.355 1.00 24.42 C ATOM 49 CD2 LEU A 718 -0.349 -8.822 -5.127 1.00 1.42 C ATOM 0 H LEU A 718 1.546 -6.297 -3.231 1.00 24.42 H new ATOM 0 HA LEU A 718 2.217 -8.056 -5.324 1.00 32.15 H new ATOM 0 HB2 LEU A 718 0.574 -5.505 -5.344 1.00 54.04 H new ATOM 0 HB3 LEU A 718 0.595 -6.696 -6.629 1.00 54.04 H new ATOM 0 HG LEU A 718 -0.394 -7.154 -3.797 1.00 11.41 H new ATOM 0 HD11 LEU A 718 -2.604 -7.341 -4.863 1.00 24.42 H new ATOM 0 HD12 LEU A 718 -1.880 -5.735 -5.116 1.00 24.42 H new ATOM 0 HD13 LEU A 718 -1.875 -6.930 -6.434 1.00 24.42 H new ATOM 0 HD21 LEU A 718 -1.175 -9.337 -4.637 1.00 1.42 H new ATOM 0 HD22 LEU A 718 -0.388 -9.013 -6.200 1.00 1.42 H new ATOM 0 HD23 LEU A 718 0.596 -9.190 -4.727 1.00 1.42 H new ATOM 61 N ILE A 719 3.526 -5.087 -5.519 1.00 5.33 N ATOM 62 CA ILE A 719 4.519 -4.297 -6.205 1.00 31.33 C ATOM 63 C ILE A 719 5.946 -4.808 -5.909 1.00 73.42 C ATOM 64 O ILE A 719 6.782 -4.913 -6.823 1.00 54.22 O ATOM 65 CB ILE A 719 4.405 -2.794 -5.830 1.00 51.02 C ATOM 66 CG1 ILE A 719 3.004 -2.252 -6.187 1.00 5.43 C ATOM 67 CG2 ILE A 719 5.494 -1.968 -6.523 1.00 0.10 C ATOM 68 CD1 ILE A 719 2.620 -2.433 -7.649 1.00 4.02 C ATOM 0 H ILE A 719 3.168 -4.664 -4.663 1.00 5.33 H new ATOM 0 HA ILE A 719 4.328 -4.402 -7.273 1.00 31.33 H new ATOM 0 HB ILE A 719 4.549 -2.704 -4.753 1.00 51.02 H new ATOM 0 HG12 ILE A 719 2.263 -2.753 -5.564 1.00 5.43 H new ATOM 0 HG13 ILE A 719 2.963 -1.191 -5.941 1.00 5.43 H new ATOM 0 HG21 ILE A 719 5.390 -0.920 -6.242 1.00 0.10 H new ATOM 0 HG22 ILE A 719 6.475 -2.330 -6.217 1.00 0.10 H new ATOM 0 HG23 ILE A 719 5.392 -2.066 -7.604 1.00 0.10 H new ATOM 0 HD11 ILE A 719 1.623 -2.026 -7.816 1.00 4.02 H new ATOM 0 HD12 ILE A 719 3.337 -1.908 -8.281 1.00 4.02 H new ATOM 0 HD13 ILE A 719 2.625 -3.494 -7.898 1.00 4.02 H new ATOM 80 N THR A 720 6.204 -5.156 -4.630 1.00 65.25 N ATOM 81 CA THR A 720 7.553 -5.568 -4.181 1.00 52.10 C ATOM 82 C THR A 720 8.029 -6.824 -4.905 1.00 21.04 C ATOM 83 O THR A 720 9.216 -7.113 -4.926 1.00 23.42 O ATOM 84 CB THR A 720 7.615 -5.798 -2.622 1.00 73.44 C ATOM 85 OG1 THR A 720 8.966 -5.657 -2.154 1.00 51.32 O ATOM 86 CG2 THR A 720 7.107 -7.189 -2.250 1.00 73.33 C ATOM 0 H THR A 720 5.500 -5.160 -3.892 1.00 65.25 H new ATOM 0 HA THR A 720 8.221 -4.744 -4.432 1.00 52.10 H new ATOM 0 HB THR A 720 6.977 -5.050 -2.152 1.00 73.44 H new ATOM 0 HG1 THR A 720 8.993 -5.800 -1.185 1.00 51.32 H new ATOM 0 HG21 THR A 720 7.161 -7.319 -1.169 1.00 73.33 H new ATOM 0 HG22 THR A 720 6.073 -7.298 -2.577 1.00 73.33 H new ATOM 0 HG23 THR A 720 7.723 -7.944 -2.738 1.00 73.33 H new ATOM 94 N ILE A 721 7.086 -7.556 -5.514 1.00 2.22 N ATOM 95 CA ILE A 721 7.406 -8.747 -6.286 1.00 74.32 C ATOM 96 C ILE A 721 8.453 -8.422 -7.359 1.00 5.42 C ATOM 97 O ILE A 721 9.309 -9.243 -7.679 1.00 33.31 O ATOM 98 CB ILE A 721 6.132 -9.319 -6.975 1.00 34.21 C ATOM 99 CG1 ILE A 721 5.113 -9.780 -5.926 1.00 41.42 C ATOM 100 CG2 ILE A 721 6.492 -10.457 -7.914 1.00 34.44 C ATOM 101 CD1 ILE A 721 3.813 -10.290 -6.512 1.00 43.14 C ATOM 0 H ILE A 721 6.091 -7.335 -5.481 1.00 2.22 H new ATOM 0 HA ILE A 721 7.806 -9.493 -5.599 1.00 74.32 H new ATOM 0 HB ILE A 721 5.677 -8.524 -7.567 1.00 34.21 H new ATOM 0 HG12 ILE A 721 5.561 -10.569 -5.321 1.00 41.42 H new ATOM 0 HG13 ILE A 721 4.896 -8.949 -5.255 1.00 41.42 H new ATOM 0 HG21 ILE A 721 5.587 -10.841 -8.384 1.00 34.44 H new ATOM 0 HG22 ILE A 721 7.173 -10.093 -8.683 1.00 34.44 H new ATOM 0 HG23 ILE A 721 6.975 -11.255 -7.350 1.00 34.44 H new ATOM 0 HD11 ILE A 721 3.146 -10.597 -5.706 1.00 43.14 H new ATOM 0 HD12 ILE A 721 3.340 -9.498 -7.093 1.00 43.14 H new ATOM 0 HD13 ILE A 721 4.016 -11.143 -7.160 1.00 43.14 H new ATOM 113 N HIS A 722 8.395 -7.208 -7.868 1.00 24.43 N ATOM 114 CA HIS A 722 9.301 -6.770 -8.906 1.00 31.31 C ATOM 115 C HIS A 722 10.737 -6.675 -8.397 1.00 41.22 C ATOM 116 O HIS A 722 11.662 -7.138 -9.051 1.00 72.24 O ATOM 117 CB HIS A 722 8.851 -5.429 -9.487 1.00 35.33 C ATOM 118 CG HIS A 722 7.645 -5.516 -10.385 1.00 12.45 C ATOM 119 ND1 HIS A 722 7.692 -5.260 -11.738 1.00 4.24 N ATOM 120 CD2 HIS A 722 6.354 -5.823 -10.113 1.00 31.33 C ATOM 121 CE1 HIS A 722 6.493 -5.404 -12.251 1.00 53.33 C ATOM 122 NE2 HIS A 722 5.665 -5.746 -11.292 1.00 63.21 N ATOM 0 H HIS A 722 7.721 -6.501 -7.574 1.00 24.43 H new ATOM 0 HA HIS A 722 9.278 -7.520 -9.697 1.00 31.31 H new ATOM 0 HB2 HIS A 722 8.630 -4.747 -8.666 1.00 35.33 H new ATOM 0 HB3 HIS A 722 9.677 -4.994 -10.049 1.00 35.33 H new ATOM 0 HD2 HIS A 722 5.946 -6.080 -9.147 1.00 31.33 H new ATOM 0 HE1 HIS A 722 6.231 -5.264 -13.289 1.00 53.33 H new ATOM 0 HE2 HIS A 722 4.668 -5.926 -11.407 1.00 63.21 H new ATOM 131 N ASP A 723 10.916 -6.101 -7.221 1.00 51.41 N ATOM 132 CA ASP A 723 12.271 -5.885 -6.686 1.00 23.12 C ATOM 133 C ASP A 723 12.688 -6.990 -5.739 1.00 34.12 C ATOM 134 O ASP A 723 13.813 -6.996 -5.245 1.00 43.10 O ATOM 135 CB ASP A 723 12.387 -4.523 -5.981 1.00 41.24 C ATOM 136 CG ASP A 723 12.363 -3.350 -6.931 1.00 65.11 C ATOM 137 OD1 ASP A 723 13.385 -3.095 -7.596 1.00 63.32 O ATOM 138 OD2 ASP A 723 11.329 -2.669 -7.011 1.00 60.22 O ATOM 0 H ASP A 723 10.161 -5.776 -6.617 1.00 51.41 H new ATOM 0 HA ASP A 723 12.947 -5.896 -7.541 1.00 23.12 H new ATOM 0 HB2 ASP A 723 11.568 -4.420 -5.269 1.00 41.24 H new ATOM 0 HB3 ASP A 723 13.314 -4.497 -5.408 1.00 41.24 H new ATOM 143 N ARG A 724 11.788 -7.928 -5.493 1.00 3.51 N ATOM 144 CA ARG A 724 12.034 -9.004 -4.546 1.00 4.41 C ATOM 145 C ARG A 724 13.218 -9.863 -4.952 1.00 21.14 C ATOM 146 O ARG A 724 14.033 -10.235 -4.128 1.00 12.34 O ATOM 147 CB ARG A 724 10.781 -9.865 -4.341 1.00 20.42 C ATOM 148 CG ARG A 724 10.931 -10.876 -3.230 1.00 52.52 C ATOM 149 CD ARG A 724 9.621 -11.512 -2.857 1.00 50.32 C ATOM 150 NE ARG A 724 9.758 -12.311 -1.631 1.00 21.22 N ATOM 151 CZ ARG A 724 8.752 -12.657 -0.813 1.00 72.05 C ATOM 152 NH1 ARG A 724 7.489 -12.347 -1.118 1.00 3.13 N ATOM 153 NH2 ARG A 724 9.014 -13.324 0.302 1.00 34.32 N ATOM 0 H ARG A 724 10.872 -7.966 -5.941 1.00 3.51 H new ATOM 0 HA ARG A 724 12.284 -8.535 -3.594 1.00 4.41 H new ATOM 0 HB2 ARG A 724 9.934 -9.216 -4.121 1.00 20.42 H new ATOM 0 HB3 ARG A 724 10.550 -10.387 -5.270 1.00 20.42 H new ATOM 0 HG2 ARG A 724 11.633 -11.650 -3.539 1.00 52.52 H new ATOM 0 HG3 ARG A 724 11.358 -10.389 -2.354 1.00 52.52 H new ATOM 0 HD2 ARG A 724 8.866 -10.740 -2.711 1.00 50.32 H new ATOM 0 HD3 ARG A 724 9.274 -12.146 -3.673 1.00 50.32 H new ATOM 0 HE ARG A 724 10.695 -12.629 -1.381 1.00 21.22 H new ATOM 0 HH11 ARG A 724 7.282 -11.842 -1.980 1.00 3.13 H new ATOM 0 HH12 ARG A 724 6.732 -12.615 -0.489 1.00 3.13 H new ATOM 0 HH21 ARG A 724 9.976 -13.571 0.534 1.00 34.32 H new ATOM 0 HH22 ARG A 724 8.254 -13.590 0.928 1.00 34.32 H new ATOM 167 N LYS A 725 13.311 -10.136 -6.207 1.00 15.00 N ATOM 168 CA LYS A 725 14.385 -10.958 -6.749 1.00 34.03 C ATOM 169 C LYS A 725 15.744 -10.269 -6.641 1.00 52.20 C ATOM 170 O LYS A 725 16.791 -10.923 -6.701 1.00 10.20 O ATOM 171 CB LYS A 725 14.077 -11.339 -8.183 1.00 51.40 C ATOM 172 CG LYS A 725 13.655 -10.169 -9.053 1.00 72.25 C ATOM 173 CD LYS A 725 12.544 -10.568 -9.997 1.00 63.34 C ATOM 174 CE LYS A 725 11.295 -11.008 -9.223 1.00 22.22 C ATOM 175 NZ LYS A 725 10.201 -11.411 -10.129 1.00 75.43 N ATOM 0 H LYS A 725 12.649 -9.802 -6.907 1.00 15.00 H new ATOM 0 HA LYS A 725 14.445 -11.867 -6.150 1.00 34.03 H new ATOM 0 HB2 LYS A 725 14.959 -11.806 -8.622 1.00 51.40 H new ATOM 0 HB3 LYS A 725 13.284 -12.087 -8.188 1.00 51.40 H new ATOM 0 HG2 LYS A 725 13.323 -9.344 -8.423 1.00 72.25 H new ATOM 0 HG3 LYS A 725 14.511 -9.809 -9.624 1.00 72.25 H new ATOM 0 HD2 LYS A 725 12.296 -9.729 -10.647 1.00 63.34 H new ATOM 0 HD3 LYS A 725 12.883 -11.381 -10.640 1.00 63.34 H new ATOM 0 HE2 LYS A 725 11.549 -11.841 -8.567 1.00 22.22 H new ATOM 0 HE3 LYS A 725 10.956 -10.191 -8.585 1.00 22.22 H new ATOM 0 HZ1 LYS A 725 9.375 -11.701 -9.568 1.00 75.43 H new ATOM 0 HZ2 LYS A 725 9.941 -10.609 -10.738 1.00 75.43 H new ATOM 0 HZ3 LYS A 725 10.515 -12.207 -10.720 1.00 75.43 H new ATOM 189 N GLU A 726 15.729 -8.973 -6.493 1.00 21.14 N ATOM 190 CA GLU A 726 16.936 -8.233 -6.371 1.00 42.13 C ATOM 191 C GLU A 726 17.171 -7.817 -4.919 1.00 60.22 C ATOM 192 O GLU A 726 17.976 -8.422 -4.223 1.00 52.42 O ATOM 193 CB GLU A 726 16.919 -7.010 -7.290 1.00 34.14 C ATOM 194 CG GLU A 726 18.226 -6.224 -7.319 1.00 50.41 C ATOM 195 CD GLU A 726 19.408 -7.069 -7.729 1.00 61.52 C ATOM 196 OE1 GLU A 726 19.416 -7.579 -8.866 1.00 71.21 O ATOM 197 OE2 GLU A 726 20.350 -7.220 -6.918 1.00 41.45 O ATOM 0 H GLU A 726 14.879 -8.410 -6.455 1.00 21.14 H new ATOM 0 HA GLU A 726 17.761 -8.876 -6.678 1.00 42.13 H new ATOM 0 HB2 GLU A 726 16.683 -7.335 -8.303 1.00 34.14 H new ATOM 0 HB3 GLU A 726 16.116 -6.344 -6.974 1.00 34.14 H new ATOM 0 HG2 GLU A 726 18.126 -5.387 -8.010 1.00 50.41 H new ATOM 0 HG3 GLU A 726 18.412 -5.801 -6.332 1.00 50.41 H new ATOM 204 N PHE A 727 16.434 -6.810 -4.463 1.00 13.41 N ATOM 205 CA PHE A 727 16.660 -6.230 -3.146 1.00 31.44 C ATOM 206 C PHE A 727 16.086 -7.080 -2.031 1.00 42.22 C ATOM 207 O PHE A 727 16.781 -7.399 -1.074 1.00 34.11 O ATOM 208 CB PHE A 727 16.117 -4.800 -3.065 1.00 71.03 C ATOM 209 CG PHE A 727 16.175 -4.210 -1.671 1.00 5.22 C ATOM 210 CD1 PHE A 727 17.363 -4.190 -0.957 1.00 13.43 C ATOM 211 CD2 PHE A 727 15.042 -3.695 -1.080 1.00 51.22 C ATOM 212 CE1 PHE A 727 17.411 -3.667 0.310 1.00 72.12 C ATOM 213 CE2 PHE A 727 15.087 -3.170 0.191 1.00 70.12 C ATOM 214 CZ PHE A 727 16.270 -3.155 0.885 1.00 24.25 C ATOM 0 H PHE A 727 15.674 -6.378 -4.988 1.00 13.41 H new ATOM 0 HA PHE A 727 17.741 -6.199 -3.006 1.00 31.44 H new ATOM 0 HB2 PHE A 727 16.686 -4.165 -3.744 1.00 71.03 H new ATOM 0 HB3 PHE A 727 15.084 -4.792 -3.412 1.00 71.03 H new ATOM 0 HD1 PHE A 727 18.261 -4.591 -1.403 1.00 13.43 H new ATOM 0 HD2 PHE A 727 14.107 -3.703 -1.621 1.00 51.22 H new ATOM 0 HE1 PHE A 727 18.343 -3.657 0.856 1.00 72.12 H new ATOM 0 HE2 PHE A 727 14.191 -2.770 0.642 1.00 70.12 H new ATOM 0 HZ PHE A 727 16.306 -2.742 1.882 1.00 24.25 H new ATOM 224 N ALA A 728 14.818 -7.443 -2.155 1.00 3.24 N ATOM 225 CA ALA A 728 14.130 -8.191 -1.101 1.00 74.11 C ATOM 226 C ALA A 728 14.856 -9.465 -0.760 1.00 11.22 C ATOM 227 O ALA A 728 14.883 -9.871 0.378 1.00 62.14 O ATOM 228 CB ALA A 728 12.708 -8.481 -1.491 1.00 35.42 C ATOM 0 H ALA A 728 14.242 -7.235 -2.971 1.00 3.24 H new ATOM 0 HA ALA A 728 14.123 -7.565 -0.209 1.00 74.11 H new ATOM 0 HB1 ALA A 728 12.218 -9.037 -0.692 1.00 35.42 H new ATOM 0 HB2 ALA A 728 12.178 -7.543 -1.658 1.00 35.42 H new ATOM 0 HB3 ALA A 728 12.695 -9.073 -2.406 1.00 35.42 H new ATOM 234 N LYS A 729 15.462 -10.077 -1.756 1.00 35.20 N ATOM 235 CA LYS A 729 16.214 -11.296 -1.565 1.00 32.41 C ATOM 236 C LYS A 729 17.326 -11.117 -0.512 1.00 31.11 C ATOM 237 O LYS A 729 17.604 -12.026 0.255 1.00 22.20 O ATOM 238 CB LYS A 729 16.791 -11.798 -2.910 1.00 11.21 C ATOM 239 CG LYS A 729 17.652 -13.063 -2.806 1.00 52.25 C ATOM 240 CD LYS A 729 16.895 -14.218 -2.151 1.00 62.20 C ATOM 241 CE LYS A 729 15.731 -14.693 -2.999 1.00 71.14 C ATOM 242 NZ LYS A 729 16.178 -15.313 -4.268 1.00 13.43 N ATOM 0 H LYS A 729 15.446 -9.742 -2.719 1.00 35.20 H new ATOM 0 HA LYS A 729 15.529 -12.054 -1.185 1.00 32.41 H new ATOM 0 HB2 LYS A 729 15.965 -11.992 -3.594 1.00 11.21 H new ATOM 0 HB3 LYS A 729 17.391 -11.002 -3.352 1.00 11.21 H new ATOM 0 HG2 LYS A 729 17.979 -13.362 -3.802 1.00 52.25 H new ATOM 0 HG3 LYS A 729 18.550 -12.844 -2.228 1.00 52.25 H new ATOM 0 HD2 LYS A 729 17.580 -15.048 -1.979 1.00 62.20 H new ATOM 0 HD3 LYS A 729 16.526 -13.902 -1.175 1.00 62.20 H new ATOM 0 HE2 LYS A 729 15.142 -15.414 -2.432 1.00 71.14 H new ATOM 0 HE3 LYS A 729 15.077 -13.850 -3.220 1.00 71.14 H new ATOM 0 HZ1 LYS A 729 15.369 -15.772 -4.734 1.00 13.43 H new ATOM 0 HZ2 LYS A 729 16.568 -14.580 -4.894 1.00 13.43 H new ATOM 0 HZ3 LYS A 729 16.911 -16.023 -4.068 1.00 13.43 H new ATOM 256 N PHE A 730 17.918 -9.929 -0.472 1.00 61.14 N ATOM 257 CA PHE A 730 18.972 -9.630 0.491 1.00 51.33 C ATOM 258 C PHE A 730 18.467 -9.740 1.894 1.00 71.11 C ATOM 259 O PHE A 730 19.016 -10.491 2.705 1.00 2.51 O ATOM 260 CB PHE A 730 19.533 -8.246 0.266 1.00 70.35 C ATOM 261 CG PHE A 730 20.443 -8.140 -0.897 1.00 24.14 C ATOM 262 CD1 PHE A 730 21.777 -8.470 -0.775 1.00 52.54 C ATOM 263 CD2 PHE A 730 19.977 -7.712 -2.105 1.00 5.11 C ATOM 264 CE1 PHE A 730 22.629 -8.368 -1.853 1.00 10.43 C ATOM 265 CE2 PHE A 730 20.819 -7.607 -3.192 1.00 24.32 C ATOM 266 CZ PHE A 730 22.147 -7.936 -3.064 1.00 34.32 C ATOM 0 H PHE A 730 17.686 -9.156 -1.096 1.00 61.14 H new ATOM 0 HA PHE A 730 19.764 -10.364 0.342 1.00 51.33 H new ATOM 0 HB2 PHE A 730 18.706 -7.549 0.130 1.00 70.35 H new ATOM 0 HB3 PHE A 730 20.069 -7.934 1.162 1.00 70.35 H new ATOM 0 HD1 PHE A 730 22.158 -8.812 0.176 1.00 52.54 H new ATOM 0 HD2 PHE A 730 18.934 -7.452 -2.212 1.00 5.11 H new ATOM 0 HE1 PHE A 730 23.672 -8.627 -1.746 1.00 10.43 H new ATOM 0 HE2 PHE A 730 20.435 -7.267 -4.142 1.00 24.32 H new ATOM 0 HZ PHE A 730 22.809 -7.855 -3.913 1.00 34.32 H new ATOM 276 N GLU A 731 17.419 -9.002 2.195 1.00 1.21 N ATOM 277 CA GLU A 731 16.844 -9.047 3.511 1.00 71.44 C ATOM 278 C GLU A 731 16.263 -10.415 3.783 1.00 64.12 C ATOM 279 O GLU A 731 16.262 -10.875 4.912 1.00 43.34 O ATOM 280 CB GLU A 731 15.781 -7.953 3.702 1.00 22.33 C ATOM 281 CG GLU A 731 14.559 -8.114 2.828 1.00 2.32 C ATOM 282 CD GLU A 731 13.557 -7.011 3.005 1.00 71.35 C ATOM 283 OE1 GLU A 731 13.845 -5.875 2.597 1.00 70.11 O ATOM 284 OE2 GLU A 731 12.458 -7.273 3.560 1.00 55.33 O ATOM 0 H GLU A 731 16.954 -8.368 1.545 1.00 1.21 H new ATOM 0 HA GLU A 731 17.640 -8.856 4.231 1.00 71.44 H new ATOM 0 HB2 GLU A 731 15.468 -7.945 4.746 1.00 22.33 H new ATOM 0 HB3 GLU A 731 16.234 -6.983 3.498 1.00 22.33 H new ATOM 0 HG2 GLU A 731 14.869 -8.150 1.784 1.00 2.32 H new ATOM 0 HG3 GLU A 731 14.083 -9.068 3.052 1.00 2.32 H new ATOM 291 N GLU A 732 15.792 -11.085 2.714 1.00 62.41 N ATOM 292 CA GLU A 732 15.225 -12.413 2.839 1.00 1.40 C ATOM 293 C GLU A 732 16.248 -13.416 3.279 1.00 65.40 C ATOM 294 O GLU A 732 15.922 -14.356 3.948 1.00 12.25 O ATOM 295 CB GLU A 732 14.537 -12.879 1.556 1.00 73.31 C ATOM 296 CG GLU A 732 13.196 -12.212 1.300 1.00 14.12 C ATOM 297 CD GLU A 732 12.322 -12.998 0.357 1.00 24.43 C ATOM 298 OE1 GLU A 732 11.563 -13.881 0.839 1.00 12.02 O ATOM 299 OE2 GLU A 732 12.362 -12.745 -0.856 1.00 62.43 O ATOM 0 H GLU A 732 15.799 -10.717 1.763 1.00 62.41 H new ATOM 0 HA GLU A 732 14.461 -12.342 3.613 1.00 1.40 H new ATOM 0 HB2 GLU A 732 15.196 -12.684 0.710 1.00 73.31 H new ATOM 0 HB3 GLU A 732 14.392 -13.958 1.604 1.00 73.31 H new ATOM 0 HG2 GLU A 732 12.674 -12.081 2.248 1.00 14.12 H new ATOM 0 HG3 GLU A 732 13.363 -11.217 0.888 1.00 14.12 H new ATOM 306 N GLU A 733 17.499 -13.209 2.892 1.00 44.53 N ATOM 307 CA GLU A 733 18.574 -14.102 3.316 1.00 23.43 C ATOM 308 C GLU A 733 18.631 -14.187 4.837 1.00 62.22 C ATOM 309 O GLU A 733 18.639 -15.266 5.398 1.00 24.25 O ATOM 310 CB GLU A 733 19.916 -13.642 2.757 1.00 32.54 C ATOM 311 CG GLU A 733 19.988 -13.670 1.250 1.00 11.20 C ATOM 312 CD GLU A 733 21.338 -13.277 0.725 1.00 43.25 C ATOM 313 OE1 GLU A 733 22.240 -14.139 0.698 1.00 70.22 O ATOM 314 OE2 GLU A 733 21.515 -12.105 0.335 1.00 55.24 O ATOM 0 H GLU A 733 17.795 -12.440 2.291 1.00 44.53 H new ATOM 0 HA GLU A 733 18.364 -15.096 2.921 1.00 23.43 H new ATOM 0 HB2 GLU A 733 20.115 -12.627 3.102 1.00 32.54 H new ATOM 0 HB3 GLU A 733 20.705 -14.277 3.161 1.00 32.54 H new ATOM 0 HG2 GLU A 733 19.744 -14.672 0.898 1.00 11.20 H new ATOM 0 HG3 GLU A 733 19.234 -12.996 0.842 1.00 11.20 H new ATOM 321 N ARG A 734 18.668 -13.042 5.480 1.00 63.40 N ATOM 322 CA ARG A 734 18.661 -12.972 6.932 1.00 15.21 C ATOM 323 C ARG A 734 17.267 -13.298 7.499 1.00 74.23 C ATOM 324 O ARG A 734 17.138 -14.022 8.492 1.00 44.34 O ATOM 325 CB ARG A 734 19.121 -11.583 7.402 1.00 61.41 C ATOM 326 CG ARG A 734 19.233 -11.429 8.917 1.00 62.22 C ATOM 327 CD ARG A 734 20.220 -12.425 9.513 1.00 2.31 C ATOM 328 NE ARG A 734 20.429 -12.202 10.956 1.00 53.03 N ATOM 329 CZ ARG A 734 21.211 -12.970 11.742 1.00 44.34 C ATOM 330 NH1 ARG A 734 21.821 -14.031 11.239 1.00 44.43 N ATOM 331 NH2 ARG A 734 21.374 -12.668 13.026 1.00 55.23 N ATOM 0 H ARG A 734 18.704 -12.134 5.018 1.00 63.40 H new ATOM 0 HA ARG A 734 19.359 -13.720 7.309 1.00 15.21 H new ATOM 0 HB2 ARG A 734 20.091 -11.366 6.955 1.00 61.41 H new ATOM 0 HB3 ARG A 734 18.422 -10.836 7.025 1.00 61.41 H new ATOM 0 HG2 ARG A 734 19.550 -10.414 9.157 1.00 62.22 H new ATOM 0 HG3 ARG A 734 18.252 -11.572 9.371 1.00 62.22 H new ATOM 0 HD2 ARG A 734 19.853 -13.439 9.353 1.00 2.31 H new ATOM 0 HD3 ARG A 734 21.174 -12.345 8.992 1.00 2.31 H new ATOM 0 HE ARG A 734 19.949 -11.413 11.389 1.00 53.03 H new ATOM 0 HH11 ARG A 734 21.700 -14.270 10.255 1.00 44.43 H new ATOM 0 HH12 ARG A 734 22.412 -14.610 11.836 1.00 44.43 H new ATOM 0 HH21 ARG A 734 20.907 -11.852 13.421 1.00 55.23 H new ATOM 0 HH22 ARG A 734 21.966 -13.252 13.616 1.00 55.23 H new ATOM 345 N ALA A 735 16.241 -12.761 6.858 1.00 21.44 N ATOM 346 CA ALA A 735 14.859 -12.910 7.323 1.00 61.04 C ATOM 347 C ALA A 735 14.411 -14.354 7.302 1.00 42.13 C ATOM 348 O ALA A 735 13.947 -14.894 8.313 1.00 41.24 O ATOM 349 CB ALA A 735 13.919 -12.052 6.474 1.00 63.11 C ATOM 0 H ALA A 735 16.335 -12.211 6.004 1.00 21.44 H new ATOM 0 HA ALA A 735 14.821 -12.569 8.357 1.00 61.04 H new ATOM 0 HB1 ALA A 735 12.896 -12.172 6.830 1.00 63.11 H new ATOM 0 HB2 ALA A 735 14.211 -11.005 6.554 1.00 63.11 H new ATOM 0 HB3 ALA A 735 13.980 -12.367 5.432 1.00 63.11 H new ATOM 355 N ARG A 736 14.572 -14.980 6.177 1.00 73.34 N ATOM 356 CA ARG A 736 14.104 -16.325 5.969 1.00 52.44 C ATOM 357 C ARG A 736 15.055 -17.337 6.627 1.00 42.14 C ATOM 358 O ARG A 736 14.740 -18.516 6.745 1.00 34.54 O ATOM 359 CB ARG A 736 13.992 -16.599 4.468 1.00 72.03 C ATOM 360 CG ARG A 736 13.245 -17.847 4.119 1.00 42.12 C ATOM 361 CD ARG A 736 13.385 -18.179 2.649 1.00 64.13 C ATOM 362 NE ARG A 736 12.871 -17.118 1.774 1.00 4.22 N ATOM 363 CZ ARG A 736 12.894 -17.172 0.434 1.00 14.35 C ATOM 364 NH1 ARG A 736 13.449 -18.219 -0.184 1.00 71.31 N ATOM 365 NH2 ARG A 736 12.395 -16.176 -0.282 1.00 21.20 N ATOM 0 H ARG A 736 15.036 -14.571 5.366 1.00 73.34 H new ATOM 0 HA ARG A 736 13.122 -16.434 6.429 1.00 52.44 H new ATOM 0 HB2 ARG A 736 13.499 -15.751 3.993 1.00 72.03 H new ATOM 0 HB3 ARG A 736 14.996 -16.662 4.047 1.00 72.03 H new ATOM 0 HG2 ARG A 736 13.619 -18.677 4.719 1.00 42.12 H new ATOM 0 HG3 ARG A 736 12.191 -17.724 4.367 1.00 42.12 H new ATOM 0 HD2 ARG A 736 14.436 -18.355 2.420 1.00 64.13 H new ATOM 0 HD3 ARG A 736 12.853 -19.107 2.439 1.00 64.13 H new ATOM 0 HE ARG A 736 12.472 -16.288 2.212 1.00 4.22 H new ATOM 0 HH11 ARG A 736 13.855 -18.978 0.363 1.00 71.31 H new ATOM 0 HH12 ARG A 736 13.466 -18.259 -1.203 1.00 71.31 H new ATOM 0 HH21 ARG A 736 11.991 -15.364 0.185 1.00 21.20 H new ATOM 0 HH22 ARG A 736 12.414 -16.221 -1.301 1.00 21.20 H new ATOM 379 N ALA A 737 16.210 -16.861 7.054 1.00 5.14 N ATOM 380 CA ALA A 737 17.187 -17.721 7.715 1.00 44.21 C ATOM 381 C ALA A 737 16.676 -18.201 9.056 1.00 55.52 C ATOM 382 O ALA A 737 16.893 -19.349 9.442 1.00 44.35 O ATOM 383 CB ALA A 737 18.501 -16.989 7.899 1.00 12.12 C ATOM 0 H ALA A 737 16.498 -15.887 6.958 1.00 5.14 H new ATOM 0 HA ALA A 737 17.348 -18.590 7.077 1.00 44.21 H new ATOM 0 HB1 ALA A 737 19.217 -17.645 8.393 1.00 12.12 H new ATOM 0 HB2 ALA A 737 18.892 -16.693 6.926 1.00 12.12 H new ATOM 0 HB3 ALA A 737 18.340 -16.101 8.511 1.00 12.12 H new ATOM 389 N LYS A 738 15.983 -17.336 9.751 1.00 4.20 N ATOM 390 CA LYS A 738 15.551 -17.629 11.090 1.00 41.41 C ATOM 391 C LYS A 738 14.050 -17.634 11.192 1.00 4.02 C ATOM 392 O LYS A 738 13.482 -18.243 12.095 1.00 34.10 O ATOM 393 CB LYS A 738 16.150 -16.612 12.074 1.00 4.12 C ATOM 394 CG LYS A 738 17.681 -16.538 12.043 1.00 33.43 C ATOM 395 CD LYS A 738 18.320 -17.900 12.326 1.00 33.44 C ATOM 396 CE LYS A 738 17.973 -18.410 13.718 1.00 11.34 C ATOM 397 NZ LYS A 738 18.583 -17.586 14.782 1.00 62.25 N ATOM 0 H LYS A 738 15.705 -16.417 9.407 1.00 4.20 H new ATOM 0 HA LYS A 738 15.906 -18.626 11.349 1.00 41.41 H new ATOM 0 HB2 LYS A 738 15.745 -15.625 11.851 1.00 4.12 H new ATOM 0 HB3 LYS A 738 15.830 -16.868 13.084 1.00 4.12 H new ATOM 0 HG2 LYS A 738 18.008 -16.178 11.067 1.00 33.43 H new ATOM 0 HG3 LYS A 738 18.025 -15.814 12.782 1.00 33.43 H new ATOM 0 HD2 LYS A 738 17.984 -18.621 11.581 1.00 33.44 H new ATOM 0 HD3 LYS A 738 19.403 -17.821 12.227 1.00 33.44 H new ATOM 0 HE2 LYS A 738 16.890 -18.416 13.841 1.00 11.34 H new ATOM 0 HE3 LYS A 738 18.311 -19.441 13.820 1.00 11.34 H new ATOM 0 HZ1 LYS A 738 18.420 -18.035 15.706 1.00 62.25 H new ATOM 0 HZ2 LYS A 738 19.606 -17.503 14.613 1.00 62.25 H new ATOM 0 HZ3 LYS A 738 18.153 -16.639 14.777 1.00 62.25 H new ATOM 411 N TRP A 739 13.404 -16.969 10.274 1.00 34.15 N ATOM 412 CA TRP A 739 11.971 -16.860 10.299 1.00 1.54 C ATOM 413 C TRP A 739 11.381 -17.249 8.954 1.00 3.31 C ATOM 414 O TRP A 739 10.478 -16.581 8.436 1.00 55.51 O ATOM 415 CB TRP A 739 11.548 -15.434 10.700 1.00 22.33 C ATOM 416 CG TRP A 739 12.098 -14.997 12.027 1.00 73.04 C ATOM 417 CD1 TRP A 739 13.366 -14.561 12.283 1.00 73.44 C ATOM 418 CD2 TRP A 739 11.402 -14.948 13.275 1.00 73.42 C ATOM 419 NE1 TRP A 739 13.509 -14.274 13.604 1.00 62.35 N ATOM 420 CE2 TRP A 739 12.316 -14.490 14.240 1.00 53.42 C ATOM 421 CE3 TRP A 739 10.098 -15.251 13.671 1.00 41.31 C ATOM 422 CZ2 TRP A 739 11.969 -14.326 15.578 1.00 63.21 C ATOM 423 CZ3 TRP A 739 9.753 -15.084 14.997 1.00 70.05 C ATOM 424 CH2 TRP A 739 10.686 -14.626 15.937 1.00 61.22 C ATOM 0 H TRP A 739 13.852 -16.490 9.493 1.00 34.15 H new ATOM 0 HA TRP A 739 11.582 -17.551 11.047 1.00 1.54 H new ATOM 0 HB2 TRP A 739 11.878 -14.736 9.931 1.00 22.33 H new ATOM 0 HB3 TRP A 739 10.460 -15.382 10.732 1.00 22.33 H new ATOM 0 HD1 TRP A 739 14.145 -14.459 11.542 1.00 73.44 H new ATOM 0 HE1 TRP A 739 14.367 -13.950 14.050 1.00 62.35 H new ATOM 0 HE3 TRP A 739 9.374 -15.609 12.954 1.00 41.31 H new ATOM 0 HZ2 TRP A 739 12.687 -13.975 16.304 1.00 63.21 H new ATOM 0 HZ3 TRP A 739 8.746 -15.310 15.316 1.00 70.05 H new ATOM 0 HH2 TRP A 739 10.384 -14.508 16.967 1.00 61.22 H new ATOM 435 N ASP A 740 11.898 -18.334 8.397 1.00 61.34 N ATOM 436 CA ASP A 740 11.408 -18.905 7.107 1.00 12.42 C ATOM 437 C ASP A 740 9.913 -19.135 7.146 1.00 33.44 C ATOM 438 O ASP A 740 9.186 -18.732 6.238 1.00 33.44 O ATOM 439 CB ASP A 740 12.128 -20.237 6.828 1.00 4.21 C ATOM 440 CG ASP A 740 11.634 -20.967 5.585 1.00 33.41 C ATOM 441 OD1 ASP A 740 12.147 -20.688 4.486 1.00 31.15 O ATOM 442 OD2 ASP A 740 10.774 -21.859 5.719 1.00 51.42 O ATOM 0 H ASP A 740 12.669 -18.859 8.810 1.00 61.34 H new ATOM 0 HA ASP A 740 11.624 -18.192 6.311 1.00 12.42 H new ATOM 0 HB2 ASP A 740 13.196 -20.044 6.722 1.00 4.21 H new ATOM 0 HB3 ASP A 740 12.006 -20.891 7.692 1.00 4.21 H new ATOM 447 N THR A 741 9.456 -19.755 8.201 1.00 2.25 N ATOM 448 CA THR A 741 8.061 -20.087 8.335 1.00 75.20 C ATOM 449 C THR A 741 7.210 -18.822 8.640 1.00 52.51 C ATOM 450 O THR A 741 5.993 -18.795 8.388 1.00 71.12 O ATOM 451 CB THR A 741 7.835 -21.187 9.441 1.00 2.35 C ATOM 452 OG1 THR A 741 6.505 -21.707 9.353 1.00 41.31 O ATOM 453 CG2 THR A 741 8.066 -20.623 10.841 1.00 20.24 C ATOM 0 H THR A 741 10.036 -20.043 8.989 1.00 2.25 H new ATOM 0 HA THR A 741 7.731 -20.498 7.381 1.00 75.20 H new ATOM 0 HB THR A 741 8.556 -21.986 9.267 1.00 2.35 H new ATOM 0 HG1 THR A 741 6.375 -22.391 10.043 1.00 41.31 H new ATOM 0 HG21 THR A 741 7.902 -21.407 11.581 1.00 20.24 H new ATOM 0 HG22 THR A 741 9.089 -20.257 10.921 1.00 20.24 H new ATOM 0 HG23 THR A 741 7.372 -19.803 11.022 1.00 20.24 H new ATOM 461 N ALA A 742 7.861 -17.789 9.158 1.00 12.12 N ATOM 462 CA ALA A 742 7.170 -16.591 9.597 1.00 50.30 C ATOM 463 C ALA A 742 6.995 -15.565 8.466 1.00 0.23 C ATOM 464 O ALA A 742 5.879 -15.123 8.194 1.00 13.01 O ATOM 465 CB ALA A 742 7.886 -15.968 10.780 1.00 4.34 C ATOM 0 H ALA A 742 8.873 -17.760 9.284 1.00 12.12 H new ATOM 0 HA ALA A 742 6.170 -16.894 9.907 1.00 50.30 H new ATOM 0 HB1 ALA A 742 7.354 -15.071 11.096 1.00 4.34 H new ATOM 0 HB2 ALA A 742 7.916 -16.681 11.604 1.00 4.34 H new ATOM 0 HB3 ALA A 742 8.903 -15.704 10.492 1.00 4.34 H new ATOM 471 N ASN A 743 8.102 -15.194 7.807 1.00 0.02 N ATOM 472 CA ASN A 743 8.060 -14.126 6.761 1.00 3.21 C ATOM 473 C ASN A 743 7.376 -14.604 5.529 1.00 31.01 C ATOM 474 O ASN A 743 6.669 -13.843 4.852 1.00 62.44 O ATOM 475 CB ASN A 743 9.477 -13.658 6.376 1.00 15.21 C ATOM 476 CG ASN A 743 10.236 -13.046 7.505 1.00 53.14 C ATOM 477 OD1 ASN A 743 10.153 -11.846 7.753 1.00 24.41 O ATOM 478 ND2 ASN A 743 10.985 -13.838 8.177 1.00 21.54 N ATOM 0 H ASN A 743 9.025 -15.599 7.964 1.00 0.02 H new ATOM 0 HA ASN A 743 7.505 -13.293 7.192 1.00 3.21 H new ATOM 0 HB2 ASN A 743 10.039 -14.509 5.992 1.00 15.21 H new ATOM 0 HB3 ASN A 743 9.403 -12.933 5.565 1.00 15.21 H new ATOM 0 HD21 ASN A 743 11.542 -13.478 8.952 1.00 21.54 H new ATOM 0 HD22 ASN A 743 11.024 -14.829 7.937 1.00 21.54 H new ATOM 485 N ASN A 744 7.565 -15.848 5.224 1.00 32.45 N ATOM 486 CA ASN A 744 7.022 -16.413 4.035 1.00 51.32 C ATOM 487 C ASN A 744 5.655 -16.974 4.276 1.00 53.44 C ATOM 488 O ASN A 744 5.348 -17.437 5.384 1.00 61.20 O ATOM 489 CB ASN A 744 7.947 -17.470 3.475 1.00 24.44 C ATOM 490 CG ASN A 744 9.209 -16.876 2.866 1.00 54.31 C ATOM 491 OD1 ASN A 744 10.211 -16.673 3.548 1.00 14.22 O ATOM 492 ND2 ASN A 744 9.163 -16.598 1.586 1.00 12.52 N ATOM 0 H ASN A 744 8.102 -16.501 5.795 1.00 32.45 H new ATOM 0 HA ASN A 744 6.928 -15.615 3.298 1.00 51.32 H new ATOM 0 HB2 ASN A 744 8.222 -18.165 4.269 1.00 24.44 H new ATOM 0 HB3 ASN A 744 7.418 -18.046 2.716 1.00 24.44 H new ATOM 0 HD21 ASN A 744 9.978 -16.198 1.121 1.00 12.52 H new ATOM 0 HD22 ASN A 744 8.312 -16.781 1.055 1.00 12.52 H new ATOM 499 N PRO A 745 4.784 -16.916 3.257 1.00 32.32 N ATOM 500 CA PRO A 745 3.420 -17.416 3.355 1.00 64.41 C ATOM 501 C PRO A 745 3.363 -18.915 3.635 1.00 1.22 C ATOM 502 O PRO A 745 3.072 -19.340 4.764 1.00 35.34 O ATOM 503 CB PRO A 745 2.816 -17.089 1.975 1.00 73.11 C ATOM 504 CG PRO A 745 3.992 -16.921 1.081 1.00 10.32 C ATOM 505 CD PRO A 745 5.064 -16.342 1.927 1.00 14.02 C ATOM 0 HA PRO A 745 2.879 -16.961 4.185 1.00 64.41 H new ATOM 0 HB2 PRO A 745 2.165 -17.891 1.627 1.00 73.11 H new ATOM 0 HB3 PRO A 745 2.213 -16.182 2.011 1.00 73.11 H new ATOM 0 HG2 PRO A 745 4.301 -17.877 0.658 1.00 10.32 H new ATOM 0 HG3 PRO A 745 3.756 -16.263 0.244 1.00 10.32 H new ATOM 0 HD2 PRO A 745 6.055 -16.619 1.568 1.00 14.02 H new ATOM 0 HD3 PRO A 745 5.023 -15.253 1.941 1.00 14.02 H new ATOM 513 N LEU A 746 3.631 -19.696 2.637 1.00 62.12 N ATOM 514 CA LEU A 746 3.574 -21.120 2.759 1.00 51.30 C ATOM 515 C LEU A 746 4.942 -21.688 3.033 1.00 51.13 C ATOM 516 O LEU A 746 5.106 -22.568 3.898 1.00 33.55 O ATOM 517 CB LEU A 746 2.997 -21.721 1.486 1.00 23.52 C ATOM 518 CG LEU A 746 3.119 -23.240 1.328 1.00 60.14 C ATOM 519 CD1 LEU A 746 2.239 -23.968 2.334 1.00 44.31 C ATOM 520 CD2 LEU A 746 2.784 -23.659 -0.086 1.00 10.23 C ATOM 0 H LEU A 746 3.897 -19.364 1.710 1.00 62.12 H new ATOM 0 HA LEU A 746 2.928 -21.374 3.600 1.00 51.30 H new ATOM 0 HB2 LEU A 746 1.941 -21.457 1.433 1.00 23.52 H new ATOM 0 HB3 LEU A 746 3.487 -21.249 0.634 1.00 23.52 H new ATOM 0 HG LEU A 746 4.154 -23.518 1.529 1.00 60.14 H new ATOM 0 HD11 LEU A 746 2.346 -25.044 2.199 1.00 44.31 H new ATOM 0 HD12 LEU A 746 2.542 -23.698 3.345 1.00 44.31 H new ATOM 0 HD13 LEU A 746 1.198 -23.684 2.179 1.00 44.31 H new ATOM 0 HD21 LEU A 746 2.877 -24.741 -0.176 1.00 10.23 H new ATOM 0 HD22 LEU A 746 1.762 -23.362 -0.321 1.00 10.23 H new ATOM 0 HD23 LEU A 746 3.471 -23.177 -0.781 1.00 10.23 H new HETATM 532 N PTR A 747 5.935 -21.186 2.310 1.00 2.40 N HETATM 533 CA PTR A 747 7.255 -21.636 2.451 1.00 44.14 C HETATM 534 C PTR A 747 8.199 -20.652 1.827 1.00 4.12 C HETATM 535 O PTR A 747 9.123 -20.170 2.460 1.00 2.34 O HETATM 536 CB PTR A 747 7.392 -22.938 1.740 1.00 34.54 C HETATM 537 CG PTR A 747 8.650 -23.648 2.002 1.00 60.23 C HETATM 538 CD1 PTR A 747 9.393 -24.055 0.982 1.00 34.34 C HETATM 539 CD2 PTR A 747 9.094 -23.903 3.299 1.00 41.21 C HETATM 540 CE1 PTR A 747 10.585 -24.716 1.172 1.00 52.43 C HETATM 541 CE2 PTR A 747 10.279 -24.562 3.521 1.00 33.14 C HETATM 542 CZ PTR A 747 11.025 -24.967 2.449 1.00 72.44 C HETATM 543 OH PTR A 747 12.245 -25.619 2.649 1.00 36.64 O HETATM 544 P PTR A 747 13.631 -24.983 2.308 1.00 36.64 P HETATM 545 O1P PTR A 747 13.737 -24.853 0.802 1.00 36.64 O HETATM 546 O2P PTR A 747 14.723 -25.969 2.750 1.00 36.64 O HETATM 547 O3P PTR A 747 13.597 -23.754 3.057 1.00 36.64 O HETATM 0 HE2 PTR A 747 10.620 -24.759 4.537 1.00 33.14 H new HETATM 0 HE1 PTR A 747 11.176 -25.038 0.315 1.00 52.43 H new HETATM 0 HD2 PTR A 747 8.493 -23.575 4.148 1.00 41.21 H new HETATM 0 HD1 PTR A 747 9.050 -23.861 -0.034 1.00 34.34 H new HETATM 0 HB3 PTR A 747 6.560 -23.582 2.025 1.00 34.54 H new HETATM 0 HB2 PTR A 747 7.306 -22.762 0.668 1.00 34.54 H new HETATM 0 HA PTR A 747 7.490 -21.746 3.510 1.00 44.14 H new HETATM 0 H PTR A 747 5.745 -20.303 1.836 1.00 2.40 H new ATOM 556 N LYS A 748 7.962 -20.366 0.576 1.00 63.04 N ATOM 557 CA LYS A 748 8.827 -19.532 -0.196 1.00 2.31 C ATOM 558 C LYS A 748 8.046 -18.374 -0.827 1.00 2.41 C ATOM 559 O LYS A 748 6.897 -18.140 -0.484 1.00 43.15 O ATOM 560 CB LYS A 748 9.486 -20.375 -1.274 1.00 22.54 C ATOM 561 CG LYS A 748 10.463 -21.405 -0.761 1.00 44.43 C ATOM 562 CD LYS A 748 11.413 -20.830 0.278 1.00 2.40 C ATOM 563 CE LYS A 748 12.216 -21.930 0.911 1.00 43.41 C ATOM 564 NZ LYS A 748 12.949 -21.494 2.098 1.00 53.21 N ATOM 0 H LYS A 748 7.152 -20.712 0.062 1.00 63.04 H new ATOM 0 HA LYS A 748 9.589 -19.103 0.454 1.00 2.31 H new ATOM 0 HB2 LYS A 748 8.709 -20.884 -1.844 1.00 22.54 H new ATOM 0 HB3 LYS A 748 10.007 -19.713 -1.966 1.00 22.54 H new ATOM 0 HG2 LYS A 748 9.913 -22.239 -0.325 1.00 44.43 H new ATOM 0 HG3 LYS A 748 11.039 -21.804 -1.596 1.00 44.43 H new ATOM 0 HD2 LYS A 748 12.080 -20.106 -0.190 1.00 2.40 H new ATOM 0 HD3 LYS A 748 10.848 -20.296 1.042 1.00 2.40 H new ATOM 0 HE2 LYS A 748 11.549 -22.748 1.183 1.00 43.41 H new ATOM 0 HE3 LYS A 748 12.922 -22.324 0.180 1.00 43.41 H new ATOM 0 HZ1 LYS A 748 13.401 -22.315 2.548 1.00 53.21 H new ATOM 0 HZ2 LYS A 748 13.678 -20.805 1.822 1.00 53.21 H new ATOM 0 HZ3 LYS A 748 12.290 -21.051 2.769 1.00 53.21 H new ATOM 578 N GLU A 749 8.680 -17.646 -1.715 1.00 31.12 N ATOM 579 CA GLU A 749 8.020 -16.550 -2.416 1.00 15.14 C ATOM 580 C GLU A 749 7.056 -17.098 -3.446 1.00 71.43 C ATOM 581 O GLU A 749 5.897 -16.702 -3.507 1.00 54.12 O ATOM 582 CB GLU A 749 9.043 -15.550 -3.059 1.00 74.45 C ATOM 583 CG GLU A 749 10.095 -16.180 -3.985 1.00 70.41 C ATOM 584 CD GLU A 749 11.183 -16.906 -3.236 1.00 34.33 C ATOM 585 OE1 GLU A 749 11.009 -18.087 -2.937 1.00 13.12 O ATOM 586 OE2 GLU A 749 12.218 -16.284 -2.938 1.00 41.21 O ATOM 0 H GLU A 749 9.656 -17.787 -1.976 1.00 31.12 H new ATOM 0 HA GLU A 749 7.456 -15.976 -1.680 1.00 15.14 H new ATOM 0 HB2 GLU A 749 8.487 -14.803 -3.626 1.00 74.45 H new ATOM 0 HB3 GLU A 749 9.560 -15.022 -2.258 1.00 74.45 H new ATOM 0 HG2 GLU A 749 9.603 -16.876 -4.664 1.00 70.41 H new ATOM 0 HG3 GLU A 749 10.544 -15.399 -4.599 1.00 70.41 H new ATOM 593 N ALA A 750 7.544 -18.019 -4.228 1.00 32.54 N ATOM 594 CA ALA A 750 6.751 -18.730 -5.178 1.00 11.43 C ATOM 595 C ALA A 750 7.188 -20.169 -5.189 1.00 31.21 C ATOM 596 O ALA A 750 7.762 -20.647 -6.162 1.00 35.52 O ATOM 597 CB ALA A 750 6.869 -18.106 -6.568 1.00 65.25 C ATOM 0 H ALA A 750 8.525 -18.299 -4.219 1.00 32.54 H new ATOM 0 HA ALA A 750 5.701 -18.673 -4.892 1.00 11.43 H new ATOM 0 HB1 ALA A 750 6.255 -18.667 -7.272 1.00 65.25 H new ATOM 0 HB2 ALA A 750 6.527 -17.072 -6.533 1.00 65.25 H new ATOM 0 HB3 ALA A 750 7.909 -18.133 -6.892 1.00 65.25 H new ATOM 603 N THR A 751 6.939 -20.836 -4.062 1.00 31.05 N ATOM 604 CA THR A 751 7.350 -22.238 -3.789 1.00 52.33 C ATOM 605 C THR A 751 7.162 -23.188 -5.008 1.00 41.15 C ATOM 606 O THR A 751 7.952 -24.123 -5.199 1.00 4.04 O ATOM 607 CB THR A 751 6.551 -22.794 -2.601 1.00 25.20 C ATOM 608 OG1 THR A 751 6.386 -21.752 -1.603 1.00 3.33 O ATOM 609 CG2 THR A 751 7.272 -23.976 -1.976 1.00 32.41 C ATOM 0 H THR A 751 6.432 -20.415 -3.283 1.00 31.05 H new ATOM 0 HA THR A 751 8.416 -22.204 -3.565 1.00 52.33 H new ATOM 0 HB THR A 751 5.577 -23.127 -2.960 1.00 25.20 H new ATOM 0 HG1 THR A 751 5.875 -22.104 -0.844 1.00 3.33 H new ATOM 0 HG21 THR A 751 6.689 -24.355 -1.136 1.00 32.41 H new ATOM 0 HG22 THR A 751 7.392 -24.764 -2.720 1.00 32.41 H new ATOM 0 HG23 THR A 751 8.253 -23.658 -1.623 1.00 32.41 H new ATOM 617 N SER A 752 6.127 -22.945 -5.804 1.00 44.10 N ATOM 618 CA SER A 752 5.850 -23.755 -6.973 1.00 74.12 C ATOM 619 C SER A 752 7.076 -23.828 -7.902 1.00 25.25 C ATOM 620 O SER A 752 7.593 -24.910 -8.181 1.00 32.45 O ATOM 621 CB SER A 752 4.646 -23.187 -7.721 1.00 1.32 C ATOM 622 OG SER A 752 4.797 -21.776 -7.920 1.00 41.02 O ATOM 0 H SER A 752 5.463 -22.185 -5.654 1.00 44.10 H new ATOM 0 HA SER A 752 5.622 -24.769 -6.644 1.00 74.12 H new ATOM 0 HB2 SER A 752 4.540 -23.687 -8.684 1.00 1.32 H new ATOM 0 HB3 SER A 752 3.734 -23.385 -7.158 1.00 1.32 H new ATOM 0 HG SER A 752 4.018 -21.428 -8.402 1.00 41.02 H new ATOM 628 N THR A 753 7.531 -22.693 -8.354 1.00 23.14 N ATOM 629 CA THR A 753 8.692 -22.639 -9.193 1.00 3.33 C ATOM 630 C THR A 753 9.988 -22.551 -8.343 1.00 15.31 C ATOM 631 O THR A 753 11.031 -23.094 -8.719 1.00 63.04 O ATOM 632 CB THR A 753 8.612 -21.458 -10.230 1.00 42.14 C ATOM 633 OG1 THR A 753 9.715 -21.525 -11.154 1.00 2.44 O ATOM 634 CG2 THR A 753 8.607 -20.103 -9.532 1.00 0.33 C ATOM 0 H THR A 753 7.110 -21.786 -8.152 1.00 23.14 H new ATOM 0 HA THR A 753 8.723 -23.567 -9.764 1.00 3.33 H new ATOM 0 HB THR A 753 7.675 -21.564 -10.777 1.00 42.14 H new ATOM 0 HG1 THR A 753 9.651 -20.785 -11.794 1.00 2.44 H new ATOM 0 HG21 THR A 753 8.551 -19.310 -10.278 1.00 0.33 H new ATOM 0 HG22 THR A 753 7.745 -20.039 -8.868 1.00 0.33 H new ATOM 0 HG23 THR A 753 9.522 -19.990 -8.950 1.00 0.33 H new ATOM 642 N PHE A 754 9.899 -21.889 -7.195 1.00 23.41 N ATOM 643 CA PHE A 754 11.037 -21.735 -6.317 1.00 13.34 C ATOM 644 C PHE A 754 11.047 -22.796 -5.246 1.00 51.53 C ATOM 645 O PHE A 754 10.748 -22.530 -4.085 1.00 65.44 O ATOM 646 CB PHE A 754 11.094 -20.330 -5.691 1.00 21.42 C ATOM 647 CG PHE A 754 11.355 -19.226 -6.679 1.00 41.44 C ATOM 648 CD1 PHE A 754 12.575 -19.135 -7.328 1.00 3.52 C ATOM 649 CD2 PHE A 754 10.385 -18.285 -6.955 1.00 34.21 C ATOM 650 CE1 PHE A 754 12.819 -18.123 -8.235 1.00 61.01 C ATOM 651 CE2 PHE A 754 10.622 -17.270 -7.860 1.00 11.01 C ATOM 652 CZ PHE A 754 11.841 -17.189 -8.501 1.00 43.24 C ATOM 0 H PHE A 754 9.043 -21.451 -6.855 1.00 23.41 H new ATOM 0 HA PHE A 754 11.930 -21.858 -6.929 1.00 13.34 H new ATOM 0 HB2 PHE A 754 10.150 -20.132 -5.183 1.00 21.42 H new ATOM 0 HB3 PHE A 754 11.875 -20.314 -4.931 1.00 21.42 H new ATOM 0 HD1 PHE A 754 13.345 -19.864 -7.122 1.00 3.52 H new ATOM 0 HD2 PHE A 754 9.428 -18.343 -6.457 1.00 34.21 H new ATOM 0 HE1 PHE A 754 13.774 -18.063 -8.735 1.00 61.01 H new ATOM 0 HE2 PHE A 754 9.854 -16.540 -8.066 1.00 11.01 H new ATOM 0 HZ PHE A 754 12.028 -16.396 -9.209 1.00 43.24 H new ATOM 662 N THR A 755 11.353 -23.988 -5.644 1.00 2.21 N ATOM 663 CA THR A 755 11.514 -25.078 -4.732 1.00 0.10 C ATOM 664 C THR A 755 13.009 -25.265 -4.416 1.00 41.21 C ATOM 665 O THR A 755 13.389 -26.079 -3.557 1.00 34.34 O ATOM 666 CB THR A 755 10.903 -26.395 -5.313 1.00 31.41 C ATOM 667 OG1 THR A 755 11.053 -27.485 -4.375 1.00 43.30 O ATOM 668 CG2 THR A 755 11.554 -26.763 -6.636 1.00 3.44 C ATOM 0 H THR A 755 11.500 -24.237 -6.622 1.00 2.21 H new ATOM 0 HA THR A 755 10.978 -24.847 -3.811 1.00 0.10 H new ATOM 0 HB THR A 755 9.841 -26.218 -5.485 1.00 31.41 H new ATOM 0 HG1 THR A 755 11.900 -27.387 -3.892 1.00 43.30 H new ATOM 0 HG21 THR A 755 11.110 -27.683 -7.017 1.00 3.44 H new ATOM 0 HG22 THR A 755 11.396 -25.959 -7.355 1.00 3.44 H new ATOM 0 HG23 THR A 755 12.623 -26.912 -6.486 1.00 3.44 H new ATOM 676 N ASN A 756 13.849 -24.475 -5.124 1.00 63.00 N ATOM 677 CA ASN A 756 15.299 -24.446 -4.922 1.00 43.54 C ATOM 678 C ASN A 756 15.946 -25.775 -5.246 1.00 2.12 C ATOM 679 O ASN A 756 16.085 -26.643 -4.385 1.00 52.35 O ATOM 680 CB ASN A 756 15.666 -23.984 -3.499 1.00 32.41 C ATOM 681 CG ASN A 756 15.216 -22.560 -3.205 1.00 65.33 C ATOM 682 OD1 ASN A 756 15.952 -21.606 -3.438 1.00 10.11 O ATOM 683 ND2 ASN A 756 14.012 -22.411 -2.678 1.00 72.44 N ATOM 0 H ASN A 756 13.528 -23.839 -5.854 1.00 63.00 H new ATOM 0 HA ASN A 756 15.697 -23.712 -5.623 1.00 43.54 H new ATOM 0 HB2 ASN A 756 15.212 -24.660 -2.774 1.00 32.41 H new ATOM 0 HB3 ASN A 756 16.746 -24.053 -3.367 1.00 32.41 H new ATOM 0 HD21 ASN A 756 13.667 -21.479 -2.451 1.00 72.44 H new ATOM 0 HD22 ASN A 756 13.429 -23.229 -2.499 1.00 72.44 H new ATOM 690 N ILE A 757 16.320 -25.942 -6.484 1.00 54.31 N ATOM 691 CA ILE A 757 16.966 -27.148 -6.918 1.00 24.13 C ATOM 692 C ILE A 757 18.391 -26.856 -7.355 1.00 13.21 C ATOM 693 O ILE A 757 18.624 -26.309 -8.444 1.00 31.45 O ATOM 694 CB ILE A 757 16.197 -27.828 -8.089 1.00 13.14 C ATOM 695 CG1 ILE A 757 14.726 -28.031 -7.713 1.00 53.43 C ATOM 696 CG2 ILE A 757 16.843 -29.173 -8.439 1.00 43.42 C ATOM 697 CD1 ILE A 757 13.878 -28.590 -8.836 1.00 31.11 C ATOM 0 H ILE A 757 16.186 -25.247 -7.219 1.00 54.31 H new ATOM 0 HA ILE A 757 16.973 -27.833 -6.070 1.00 24.13 H new ATOM 0 HB ILE A 757 16.248 -27.177 -8.962 1.00 13.14 H new ATOM 0 HG12 ILE A 757 14.669 -28.705 -6.858 1.00 53.43 H new ATOM 0 HG13 ILE A 757 14.307 -27.076 -7.395 1.00 53.43 H new ATOM 0 HG21 ILE A 757 16.295 -29.637 -9.259 1.00 43.42 H new ATOM 0 HG22 ILE A 757 17.878 -29.012 -8.739 1.00 43.42 H new ATOM 0 HG23 ILE A 757 16.815 -29.828 -7.568 1.00 43.42 H new ATOM 0 HD11 ILE A 757 12.850 -28.705 -8.493 1.00 31.11 H new ATOM 0 HD12 ILE A 757 13.903 -27.907 -9.685 1.00 31.11 H new ATOM 0 HD13 ILE A 757 14.270 -29.561 -9.140 1.00 31.11 H new ATOM 709 N THR A 758 19.322 -27.179 -6.513 1.00 72.21 N ATOM 710 CA THR A 758 20.715 -27.030 -6.826 1.00 3.51 C ATOM 711 C THR A 758 21.330 -28.383 -7.101 1.00 63.13 C ATOM 712 O THR A 758 22.190 -28.528 -7.976 1.00 11.14 O ATOM 713 CB THR A 758 21.472 -26.344 -5.680 1.00 22.33 C ATOM 714 OG1 THR A 758 21.042 -26.897 -4.415 1.00 50.53 O ATOM 715 CG2 THR A 758 21.228 -24.849 -5.695 1.00 63.31 C ATOM 0 H THR A 758 19.140 -27.556 -5.583 1.00 72.21 H new ATOM 0 HA THR A 758 20.795 -26.403 -7.714 1.00 3.51 H new ATOM 0 HB THR A 758 22.539 -26.521 -5.813 1.00 22.33 H new ATOM 0 HG1 THR A 758 21.527 -26.459 -3.685 1.00 50.53 H new ATOM 0 HG21 THR A 758 21.774 -24.383 -4.875 1.00 63.31 H new ATOM 0 HG22 THR A 758 21.572 -24.434 -6.642 1.00 63.31 H new ATOM 0 HG23 THR A 758 20.162 -24.653 -5.579 1.00 63.31 H new HETATM 723 N PTR A 759 20.879 -29.370 -6.362 1.00 64.35 N HETATM 724 CA PTR A 759 21.310 -30.729 -6.542 1.00 34.31 C HETATM 725 C PTR A 759 20.149 -31.532 -7.097 1.00 70.23 C HETATM 726 O PTR A 759 18.989 -31.225 -6.807 1.00 14.43 O HETATM 727 CB PTR A 759 21.776 -31.319 -5.184 1.00 34.21 C HETATM 728 CG PTR A 759 22.465 -32.679 -5.277 1.00 45.22 C HETATM 729 CD1 PTR A 759 21.755 -33.857 -5.097 1.00 50.45 C HETATM 730 CD2 PTR A 759 23.825 -32.771 -5.537 1.00 43.23 C HETATM 731 CE1 PTR A 759 22.379 -35.090 -5.175 1.00 35.50 C HETATM 732 CE2 PTR A 759 24.459 -33.998 -5.617 1.00 64.11 C HETATM 733 CZ PTR A 759 23.732 -35.155 -5.435 1.00 23.14 C HETATM 734 OH PTR A 759 24.373 -36.409 -5.513 1.00 36.64 O HETATM 735 P PTR A 759 24.580 -37.217 -6.839 1.00 36.64 P HETATM 736 O1P PTR A 759 24.020 -36.404 -8.012 1.00 36.64 O HETATM 737 O2P PTR A 759 26.116 -37.344 -7.062 1.00 36.64 O HETATM 738 O3P PTR A 759 23.908 -38.473 -6.526 1.00 36.64 O HETATM 0 HE2 PTR A 759 25.528 -34.050 -5.823 1.00 64.11 H new HETATM 0 HE1 PTR A 759 21.804 -36.005 -5.032 1.00 35.50 H new HETATM 0 HD2 PTR A 759 24.405 -31.859 -5.681 1.00 43.23 H new HETATM 0 HD1 PTR A 759 20.686 -33.811 -4.890 1.00 50.45 H new HETATM 0 HB3 PTR A 759 22.460 -30.613 -4.713 1.00 34.21 H new HETATM 0 HB2 PTR A 759 20.910 -31.410 -4.528 1.00 34.21 H new HETATM 0 HA PTR A 759 22.149 -30.769 -7.237 1.00 34.31 H new ATOM 747 N ARG A 760 20.443 -32.535 -7.894 1.00 22.32 N ATOM 748 CA ARG A 760 19.402 -33.345 -8.511 1.00 64.34 C ATOM 749 C ARG A 760 18.566 -34.089 -7.462 1.00 35.11 C ATOM 750 O ARG A 760 19.095 -34.884 -6.665 1.00 22.32 O ATOM 751 CB ARG A 760 19.996 -34.316 -9.520 1.00 2.54 C ATOM 752 CG ARG A 760 20.548 -33.644 -10.762 1.00 3.35 C ATOM 753 CD ARG A 760 21.253 -34.632 -11.657 1.00 2.13 C ATOM 754 NE ARG A 760 21.649 -34.036 -12.934 1.00 32.01 N ATOM 755 CZ ARG A 760 22.802 -34.282 -13.565 1.00 0.22 C ATOM 756 NH1 ARG A 760 23.726 -35.051 -12.994 1.00 21.13 N ATOM 757 NH2 ARG A 760 23.035 -33.740 -14.752 1.00 23.11 N ATOM 0 H ARG A 760 21.394 -32.814 -8.134 1.00 22.32 H new ATOM 0 HA ARG A 760 18.733 -32.668 -9.042 1.00 64.34 H new ATOM 0 HB2 ARG A 760 20.794 -34.882 -9.039 1.00 2.54 H new ATOM 0 HB3 ARG A 760 19.230 -35.033 -9.816 1.00 2.54 H new ATOM 0 HG2 ARG A 760 19.735 -33.169 -11.312 1.00 3.35 H new ATOM 0 HG3 ARG A 760 21.241 -32.854 -10.472 1.00 3.35 H new ATOM 0 HD2 ARG A 760 22.137 -35.015 -11.147 1.00 2.13 H new ATOM 0 HD3 ARG A 760 20.598 -35.483 -11.843 1.00 2.13 H new ATOM 0 HE ARG A 760 20.998 -33.386 -13.375 1.00 32.01 H new ATOM 0 HH11 ARG A 760 23.556 -35.454 -12.073 1.00 21.13 H new ATOM 0 HH12 ARG A 760 24.605 -35.237 -13.478 1.00 21.13 H new ATOM 0 HH21 ARG A 760 22.335 -33.136 -15.183 1.00 23.11 H new ATOM 0 HH22 ARG A 760 23.914 -33.927 -15.234 1.00 23.11 H new ATOM 771 N GLY A 761 17.288 -33.818 -7.460 1.00 40.25 N ATOM 772 CA GLY A 761 16.389 -34.438 -6.524 1.00 31.24 C ATOM 773 C GLY A 761 14.961 -34.073 -6.818 1.00 53.20 C ATOM 774 O GLY A 761 14.667 -33.538 -7.890 1.00 2.44 O ATOM 0 H GLY A 761 16.842 -33.164 -8.104 1.00 40.25 H new ATOM 0 HA2 GLY A 761 16.506 -35.521 -6.566 1.00 31.24 H new ATOM 0 HA3 GLY A 761 16.645 -34.129 -5.511 1.00 31.24 H new ATOM 778 N THR A 762 14.081 -34.353 -5.900 1.00 63.20 N ATOM 779 CA THR A 762 12.689 -34.031 -6.070 1.00 3.22 C ATOM 780 C THR A 762 12.379 -32.655 -5.445 1.00 52.40 C ATOM 781 O THR A 762 12.418 -31.640 -6.176 1.00 35.35 O ATOM 782 CB THR A 762 11.784 -35.113 -5.424 1.00 72.34 C ATOM 783 OG1 THR A 762 12.175 -36.423 -5.903 1.00 62.52 O ATOM 784 CG2 THR A 762 10.316 -34.870 -5.777 1.00 52.04 C ATOM 785 OXT THR A 762 12.117 -32.598 -4.226 1.00 36.64 O ATOM 0 H THR A 762 14.304 -34.809 -5.015 1.00 63.20 H new ATOM 0 HA THR A 762 12.481 -33.998 -7.139 1.00 3.22 H new ATOM 0 HB THR A 762 11.902 -35.060 -4.342 1.00 72.34 H new ATOM 0 HG1 THR A 762 11.604 -37.105 -5.493 1.00 62.52 H new ATOM 0 HG21 THR A 762 9.698 -35.640 -5.314 1.00 52.04 H new ATOM 0 HG22 THR A 762 10.011 -33.890 -5.410 1.00 52.04 H new ATOM 0 HG23 THR A 762 10.191 -34.907 -6.859 1.00 52.04 H new TER 793 THR A 762