USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 390 hydrogens (8 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 Set 1.1: A 759 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 762 THR OG1 : rot 49:sc= -0.256 USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 722 HIS :FLIP no HD1:sc= -0.489 F(o=-2.1!,f=-0.49) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.13) USER MOD Single : A 738 LYS NZ :NH3+ 175:sc= 0.544 (180deg=0.455) USER MOD Single : A 741 THR OG1 : rot 140:sc= 0.0689 USER MOD Single : A 743 ASN : amide:sc= 0.974 K(o=0.97,f=-0.0047) USER MOD Single : A 744 ASN :FLIP amide:sc= -5.18! C(o=-12!,f=-5.2!) USER MOD Single : A 748 LYS NZ :NH3+ -161:sc= -0.0866 (180deg=-0.416) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 SER OG : rot 70:sc= 1.17 USER MOD Single : A 753 THR OG1 : rot -34:sc= 0.623 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 756 ASN : amide:sc= -2.49 K(o=-2.5,f=-4.4!) USER MOD Single : A 758 THR OG1 : rot 54:sc= 0.0627 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 716 3.028 0.294 1.125 1.00 13.00 N ATOM 2 CA LYS A 716 3.154 -0.727 2.143 1.00 3.51 C ATOM 3 C LYS A 716 3.905 -1.930 1.591 1.00 34.42 C ATOM 4 O LYS A 716 4.762 -1.780 0.722 1.00 33.42 O ATOM 5 CB LYS A 716 1.771 -1.120 2.699 1.00 13.43 C ATOM 6 CG LYS A 716 1.107 -0.020 3.502 1.00 30.12 C ATOM 7 CD LYS A 716 1.939 0.352 4.721 1.00 21.14 C ATOM 8 CE LYS A 716 1.264 1.431 5.544 1.00 41.41 C ATOM 9 NZ LYS A 716 2.047 1.775 6.750 1.00 25.33 N ATOM 0 HA LYS A 716 3.733 -0.326 2.975 1.00 3.51 H new ATOM 0 HB2 LYS A 716 1.120 -1.397 1.870 1.00 13.43 H new ATOM 0 HB3 LYS A 716 1.879 -2.004 3.328 1.00 13.43 H new ATOM 0 HG2 LYS A 716 0.966 0.859 2.873 1.00 30.12 H new ATOM 0 HG3 LYS A 716 0.117 -0.346 3.820 1.00 30.12 H new ATOM 0 HD2 LYS A 716 2.098 -0.532 5.338 1.00 21.14 H new ATOM 0 HD3 LYS A 716 2.922 0.698 4.401 1.00 21.14 H new ATOM 0 HE2 LYS A 716 1.129 2.323 4.932 1.00 41.41 H new ATOM 0 HE3 LYS A 716 0.271 1.094 5.840 1.00 41.41 H new ATOM 0 HZ1 LYS A 716 1.552 2.516 7.286 1.00 25.33 H new ATOM 0 HZ2 LYS A 716 2.155 0.930 7.347 1.00 25.33 H new ATOM 0 HZ3 LYS A 716 2.986 2.121 6.467 1.00 25.33 H new ATOM 23 N LEU A 717 3.596 -3.103 2.088 1.00 21.34 N ATOM 24 CA LEU A 717 4.302 -4.289 1.717 1.00 73.33 C ATOM 25 C LEU A 717 3.862 -4.792 0.361 1.00 70.03 C ATOM 26 O LEU A 717 4.647 -4.807 -0.586 1.00 73.23 O ATOM 27 CB LEU A 717 4.119 -5.388 2.775 1.00 50.22 C ATOM 28 CG LEU A 717 4.646 -5.085 4.194 1.00 75.43 C ATOM 29 CD1 LEU A 717 6.093 -4.631 4.154 1.00 63.52 C ATOM 30 CD2 LEU A 717 3.764 -4.068 4.921 1.00 44.22 C ATOM 0 H LEU A 717 2.845 -3.255 2.762 1.00 21.34 H new ATOM 0 HA LEU A 717 5.360 -4.034 1.657 1.00 73.33 H new ATOM 0 HB2 LEU A 717 3.055 -5.614 2.849 1.00 50.22 H new ATOM 0 HB3 LEU A 717 4.612 -6.291 2.415 1.00 50.22 H new ATOM 0 HG LEU A 717 4.603 -6.014 4.763 1.00 75.43 H new ATOM 0 HD11 LEU A 717 6.438 -4.425 5.167 1.00 63.52 H new ATOM 0 HD12 LEU A 717 6.708 -5.416 3.714 1.00 63.52 H new ATOM 0 HD13 LEU A 717 6.174 -3.726 3.552 1.00 63.52 H new ATOM 0 HD21 LEU A 717 4.168 -3.881 5.916 1.00 44.22 H new ATOM 0 HD22 LEU A 717 3.743 -3.135 4.357 1.00 44.22 H new ATOM 0 HD23 LEU A 717 2.751 -4.462 5.009 1.00 44.22 H new ATOM 42 N LEU A 718 2.613 -5.198 0.258 1.00 24.24 N ATOM 43 CA LEU A 718 2.119 -5.758 -0.978 1.00 3.33 C ATOM 44 C LEU A 718 0.890 -5.036 -1.485 1.00 14.11 C ATOM 45 O LEU A 718 0.867 -4.557 -2.628 1.00 12.50 O ATOM 46 CB LEU A 718 1.817 -7.264 -0.827 1.00 30.13 C ATOM 47 CG LEU A 718 3.017 -8.181 -0.555 1.00 1.44 C ATOM 48 CD1 LEU A 718 2.569 -9.635 -0.465 1.00 3.42 C ATOM 49 CD2 LEU A 718 4.075 -8.016 -1.637 1.00 14.32 C ATOM 0 H LEU A 718 1.927 -5.150 1.011 1.00 24.24 H new ATOM 0 HA LEU A 718 2.912 -5.626 -1.714 1.00 3.33 H new ATOM 0 HB2 LEU A 718 1.102 -7.388 -0.014 1.00 30.13 H new ATOM 0 HB3 LEU A 718 1.326 -7.606 -1.738 1.00 30.13 H new ATOM 0 HG LEU A 718 3.456 -7.895 0.401 1.00 1.44 H new ATOM 0 HD11 LEU A 718 3.433 -10.271 -0.272 1.00 3.42 H new ATOM 0 HD12 LEU A 718 1.849 -9.744 0.346 1.00 3.42 H new ATOM 0 HD13 LEU A 718 2.104 -9.931 -1.405 1.00 3.42 H new ATOM 0 HD21 LEU A 718 4.917 -8.675 -1.426 1.00 14.32 H new ATOM 0 HD22 LEU A 718 3.647 -8.273 -2.606 1.00 14.32 H new ATOM 0 HD23 LEU A 718 4.419 -6.982 -1.655 1.00 14.32 H new ATOM 61 N ILE A 719 -0.126 -4.939 -0.655 1.00 43.35 N ATOM 62 CA ILE A 719 -1.423 -4.477 -1.127 1.00 43.04 C ATOM 63 C ILE A 719 -1.791 -3.084 -0.561 1.00 2.52 C ATOM 64 O ILE A 719 -2.468 -2.298 -1.223 1.00 70.50 O ATOM 65 CB ILE A 719 -2.536 -5.494 -0.774 1.00 2.43 C ATOM 66 CG1 ILE A 719 -1.974 -6.930 -0.830 1.00 44.41 C ATOM 67 CG2 ILE A 719 -3.685 -5.352 -1.757 1.00 21.24 C ATOM 68 CD1 ILE A 719 -2.923 -7.984 -0.318 1.00 22.25 C ATOM 0 H ILE A 719 -0.086 -5.169 0.338 1.00 43.35 H new ATOM 0 HA ILE A 719 -1.346 -4.389 -2.211 1.00 43.04 H new ATOM 0 HB ILE A 719 -2.897 -5.294 0.235 1.00 2.43 H new ATOM 0 HG12 ILE A 719 -1.709 -7.165 -1.861 1.00 44.41 H new ATOM 0 HG13 ILE A 719 -1.054 -6.971 -0.247 1.00 44.41 H new ATOM 0 HG21 ILE A 719 -4.468 -6.068 -1.508 1.00 21.24 H new ATOM 0 HG22 ILE A 719 -4.088 -4.341 -1.702 1.00 21.24 H new ATOM 0 HG23 ILE A 719 -3.325 -5.545 -2.768 1.00 21.24 H new ATOM 0 HD11 ILE A 719 -2.452 -8.964 -0.392 1.00 22.25 H new ATOM 0 HD12 ILE A 719 -3.169 -7.777 0.723 1.00 22.25 H new ATOM 0 HD13 ILE A 719 -3.835 -7.974 -0.915 1.00 22.25 H new ATOM 80 N THR A 720 -1.349 -2.808 0.666 1.00 64.31 N ATOM 81 CA THR A 720 -1.577 -1.504 1.335 1.00 63.51 C ATOM 82 C THR A 720 -3.062 -1.382 1.852 1.00 30.05 C ATOM 83 O THR A 720 -3.556 -0.293 2.140 1.00 63.01 O ATOM 84 CB THR A 720 -1.203 -0.288 0.377 1.00 31.43 C ATOM 85 OG1 THR A 720 0.115 -0.503 -0.166 1.00 32.45 O ATOM 86 CG2 THR A 720 -1.200 1.040 1.131 1.00 2.12 C ATOM 0 H THR A 720 -0.823 -3.473 1.233 1.00 64.31 H new ATOM 0 HA THR A 720 -0.916 -1.458 2.201 1.00 63.51 H new ATOM 0 HB THR A 720 -1.952 -0.241 -0.413 1.00 31.43 H new ATOM 0 HG1 THR A 720 0.350 0.242 -0.758 1.00 32.45 H new ATOM 0 HG21 THR A 720 -0.941 1.847 0.446 1.00 2.12 H new ATOM 0 HG22 THR A 720 -2.190 1.223 1.549 1.00 2.12 H new ATOM 0 HG23 THR A 720 -0.467 0.999 1.937 1.00 2.12 H new ATOM 94 N ILE A 721 -3.734 -2.515 1.989 1.00 53.14 N ATOM 95 CA ILE A 721 -5.115 -2.515 2.457 1.00 25.23 C ATOM 96 C ILE A 721 -5.345 -3.553 3.534 1.00 53.41 C ATOM 97 O ILE A 721 -6.008 -3.287 4.525 1.00 20.42 O ATOM 98 CB ILE A 721 -6.134 -2.736 1.312 1.00 44.35 C ATOM 99 CG1 ILE A 721 -5.813 -4.015 0.525 1.00 43.02 C ATOM 100 CG2 ILE A 721 -6.188 -1.520 0.386 1.00 54.42 C ATOM 101 CD1 ILE A 721 -6.844 -4.347 -0.537 1.00 35.15 C ATOM 0 H ILE A 721 -3.352 -3.439 1.786 1.00 53.14 H new ATOM 0 HA ILE A 721 -5.279 -1.522 2.875 1.00 25.23 H new ATOM 0 HB ILE A 721 -7.120 -2.860 1.761 1.00 44.35 H new ATOM 0 HG12 ILE A 721 -4.837 -3.905 0.051 1.00 43.02 H new ATOM 0 HG13 ILE A 721 -5.737 -4.851 1.221 1.00 43.02 H new ATOM 0 HG21 ILE A 721 -6.911 -1.700 -0.410 1.00 54.42 H new ATOM 0 HG22 ILE A 721 -6.488 -0.641 0.957 1.00 54.42 H new ATOM 0 HG23 ILE A 721 -5.203 -1.351 -0.050 1.00 54.42 H new ATOM 0 HD11 ILE A 721 -6.553 -5.262 -1.053 1.00 35.15 H new ATOM 0 HD12 ILE A 721 -7.817 -4.489 -0.067 1.00 35.15 H new ATOM 0 HD13 ILE A 721 -6.903 -3.529 -1.255 1.00 35.15 H new ATOM 113 N HIS A 722 -4.797 -4.729 3.341 1.00 15.01 N ATOM 114 CA HIS A 722 -4.983 -5.811 4.289 1.00 33.13 C ATOM 115 C HIS A 722 -3.715 -6.104 5.014 1.00 31.43 C ATOM 116 O HIS A 722 -3.701 -6.849 5.966 1.00 33.30 O ATOM 117 CB HIS A 722 -5.505 -7.060 3.599 1.00 24.41 C ATOM 118 CG HIS A 722 -6.941 -6.981 3.201 1.00 55.33 C ATOM 119 ND1 HIS A 722 -8.048 -7.015 3.943 1.00 73.24 N flip ATOM 120 CD2 HIS A 722 -7.366 -6.862 1.894 1.00 21.31 C flip ATOM 121 CE1 HIS A 722 -9.117 -6.915 3.090 1.00 61.11 C flip ATOM 122 NE2 HIS A 722 -8.678 -6.822 1.865 1.00 44.44 N flip ATOM 0 H HIS A 722 -4.217 -4.965 2.536 1.00 15.01 H new ATOM 0 HA HIS A 722 -5.728 -5.491 5.017 1.00 33.13 H new ATOM 0 HB2 HIS A 722 -4.903 -7.250 2.711 1.00 24.41 H new ATOM 0 HB3 HIS A 722 -5.370 -7.913 4.264 1.00 24.41 H new ATOM 0 HD2 HIS A 722 -6.720 -6.810 1.030 1.00 21.31 H new ATOM 0 HE1 HIS A 722 -10.156 -6.913 3.385 1.00 61.11 H new ATOM 0 HE2 HIS A 722 -9.255 -6.733 1.028 1.00 44.44 H new ATOM 131 N ASP A 723 -2.662 -5.463 4.576 1.00 12.40 N ATOM 132 CA ASP A 723 -1.296 -5.624 5.133 1.00 53.45 C ATOM 133 C ASP A 723 -1.268 -5.257 6.611 1.00 31.33 C ATOM 134 O ASP A 723 -0.305 -5.538 7.319 1.00 2.41 O ATOM 135 CB ASP A 723 -0.305 -4.707 4.369 1.00 52.32 C ATOM 136 CG ASP A 723 -0.331 -4.905 2.854 1.00 43.40 C ATOM 137 OD1 ASP A 723 -1.442 -4.875 2.261 1.00 25.34 O ATOM 138 OD2 ASP A 723 0.756 -5.039 2.237 1.00 52.05 O ATOM 0 H ASP A 723 -2.706 -4.795 3.807 1.00 12.40 H new ATOM 0 HA ASP A 723 -1.004 -6.668 5.019 1.00 53.45 H new ATOM 0 HB2 ASP A 723 -0.538 -3.666 4.595 1.00 52.32 H new ATOM 0 HB3 ASP A 723 0.705 -4.894 4.734 1.00 52.32 H new ATOM 143 N ARG A 724 -2.299 -4.599 7.041 1.00 52.13 N ATOM 144 CA ARG A 724 -2.459 -4.204 8.403 1.00 53.13 C ATOM 145 C ARG A 724 -3.862 -4.571 8.917 1.00 73.12 C ATOM 146 O ARG A 724 -4.073 -4.743 10.114 1.00 11.05 O ATOM 147 CB ARG A 724 -2.281 -2.700 8.488 1.00 30.20 C ATOM 148 CG ARG A 724 -2.580 -2.104 9.841 1.00 41.12 C ATOM 149 CD ARG A 724 -1.800 -2.781 10.911 1.00 72.52 C ATOM 150 NE ARG A 724 -2.011 -2.172 12.224 1.00 32.30 N ATOM 151 CZ ARG A 724 -1.054 -1.573 12.940 1.00 24.01 C ATOM 152 NH1 ARG A 724 0.183 -1.457 12.440 1.00 45.44 N ATOM 153 NH2 ARG A 724 -1.329 -1.087 14.140 1.00 24.44 N ATOM 0 H ARG A 724 -3.071 -4.315 6.438 1.00 52.13 H new ATOM 0 HA ARG A 724 -1.719 -4.720 9.015 1.00 53.13 H new ATOM 0 HB2 ARG A 724 -1.254 -2.454 8.217 1.00 30.20 H new ATOM 0 HB3 ARG A 724 -2.928 -2.229 7.748 1.00 30.20 H new ATOM 0 HG2 ARG A 724 -2.344 -1.040 9.833 1.00 41.12 H new ATOM 0 HG3 ARG A 724 -3.646 -2.192 10.053 1.00 41.12 H new ATOM 0 HD2 ARG A 724 -2.082 -3.833 10.952 1.00 72.52 H new ATOM 0 HD3 ARG A 724 -0.739 -2.744 10.662 1.00 72.52 H new ATOM 0 HE ARG A 724 -2.951 -2.207 12.620 1.00 32.30 H new ATOM 0 HH11 ARG A 724 0.395 -1.826 11.513 1.00 45.44 H new ATOM 0 HH12 ARG A 724 0.913 -1.000 12.986 1.00 45.44 H new ATOM 0 HH21 ARG A 724 -2.272 -1.169 14.520 1.00 24.44 H new ATOM 0 HH22 ARG A 724 -0.598 -0.630 14.685 1.00 24.44 H new ATOM 167 N LYS A 725 -4.781 -4.726 8.020 1.00 15.31 N ATOM 168 CA LYS A 725 -6.173 -4.784 8.377 1.00 4.01 C ATOM 169 C LYS A 725 -6.533 -6.103 9.046 1.00 45.33 C ATOM 170 O LYS A 725 -7.409 -6.153 9.924 1.00 15.43 O ATOM 171 CB LYS A 725 -7.041 -4.541 7.153 1.00 51.31 C ATOM 172 CG LYS A 725 -8.532 -4.588 7.399 1.00 53.22 C ATOM 173 CD LYS A 725 -9.113 -3.216 7.794 1.00 51.30 C ATOM 174 CE LYS A 725 -8.636 -2.753 9.160 1.00 30.50 C ATOM 175 NZ LYS A 725 -9.219 -1.449 9.528 1.00 42.32 N ATOM 0 H LYS A 725 -4.596 -4.816 7.021 1.00 15.31 H new ATOM 0 HA LYS A 725 -6.363 -3.995 9.104 1.00 4.01 H new ATOM 0 HB2 LYS A 725 -6.789 -3.566 6.737 1.00 51.31 H new ATOM 0 HB3 LYS A 725 -6.790 -5.285 6.397 1.00 51.31 H new ATOM 0 HG2 LYS A 725 -9.033 -4.945 6.499 1.00 53.22 H new ATOM 0 HG3 LYS A 725 -8.743 -5.309 8.189 1.00 53.22 H new ATOM 0 HD2 LYS A 725 -8.831 -2.476 7.045 1.00 51.30 H new ATOM 0 HD3 LYS A 725 -10.202 -3.272 7.793 1.00 51.30 H new ATOM 0 HE2 LYS A 725 -8.904 -3.497 9.911 1.00 30.50 H new ATOM 0 HE3 LYS A 725 -7.549 -2.678 9.160 1.00 30.50 H new ATOM 0 HZ1 LYS A 725 -8.871 -1.165 10.466 1.00 42.32 H new ATOM 0 HZ2 LYS A 725 -8.942 -0.734 8.825 1.00 42.32 H new ATOM 0 HZ3 LYS A 725 -10.256 -1.527 9.553 1.00 42.32 H new ATOM 189 N GLU A 726 -5.870 -7.146 8.659 1.00 34.00 N ATOM 190 CA GLU A 726 -6.101 -8.445 9.266 1.00 71.22 C ATOM 191 C GLU A 726 -5.525 -8.523 10.650 1.00 71.12 C ATOM 192 O GLU A 726 -5.722 -9.475 11.356 1.00 53.24 O ATOM 193 CB GLU A 726 -5.625 -9.557 8.379 1.00 4.34 C ATOM 194 CG GLU A 726 -4.261 -9.357 7.760 1.00 11.24 C ATOM 195 CD GLU A 726 -4.180 -10.005 6.398 1.00 2.42 C ATOM 196 OE1 GLU A 726 -4.889 -9.534 5.459 1.00 71.42 O ATOM 197 OE2 GLU A 726 -3.440 -10.991 6.241 1.00 1.35 O ATOM 0 H GLU A 726 -5.161 -7.137 7.926 1.00 34.00 H new ATOM 0 HA GLU A 726 -7.178 -8.572 9.375 1.00 71.22 H new ATOM 0 HB2 GLU A 726 -5.610 -10.480 8.959 1.00 4.34 H new ATOM 0 HB3 GLU A 726 -6.351 -9.696 7.578 1.00 4.34 H new ATOM 0 HG2 GLU A 726 -4.051 -8.291 7.672 1.00 11.24 H new ATOM 0 HG3 GLU A 726 -3.497 -9.779 8.413 1.00 11.24 H new ATOM 204 N PHE A 727 -4.834 -7.506 11.015 1.00 34.11 N ATOM 205 CA PHE A 727 -4.338 -7.347 12.371 1.00 63.10 C ATOM 206 C PHE A 727 -5.258 -6.447 13.171 1.00 3.43 C ATOM 207 O PHE A 727 -4.947 -6.065 14.307 1.00 40.45 O ATOM 208 CB PHE A 727 -2.974 -6.749 12.355 1.00 2.33 C ATOM 209 CG PHE A 727 -2.036 -7.442 11.473 1.00 11.00 C ATOM 210 CD1 PHE A 727 -1.421 -8.597 11.866 1.00 24.40 C ATOM 211 CD2 PHE A 727 -1.767 -6.941 10.234 1.00 1.12 C ATOM 212 CE1 PHE A 727 -0.554 -9.234 11.032 1.00 42.23 C ATOM 213 CE2 PHE A 727 -0.908 -7.568 9.400 1.00 71.43 C ATOM 214 CZ PHE A 727 -0.299 -8.713 9.791 1.00 14.11 C ATOM 0 H PHE A 727 -4.583 -6.741 10.389 1.00 34.11 H new ATOM 0 HA PHE A 727 -4.302 -8.333 12.834 1.00 63.10 H new ATOM 0 HB2 PHE A 727 -3.048 -5.707 12.044 1.00 2.33 H new ATOM 0 HB3 PHE A 727 -2.574 -6.752 13.369 1.00 2.33 H new ATOM 0 HD1 PHE A 727 -1.624 -9.007 12.844 1.00 24.40 H new ATOM 0 HD2 PHE A 727 -2.248 -6.029 9.914 1.00 1.12 H new ATOM 0 HE1 PHE A 727 -0.069 -10.146 11.347 1.00 42.23 H new ATOM 0 HE2 PHE A 727 -0.707 -7.156 8.422 1.00 71.43 H new ATOM 0 HZ PHE A 727 0.387 -9.215 9.125 1.00 14.11 H new ATOM 224 N ALA A 728 -6.352 -6.097 12.592 1.00 23.34 N ATOM 225 CA ALA A 728 -7.331 -5.294 13.262 1.00 51.33 C ATOM 226 C ALA A 728 -8.524 -6.126 13.637 1.00 21.25 C ATOM 227 O ALA A 728 -8.925 -6.169 14.798 1.00 52.13 O ATOM 228 CB ALA A 728 -7.750 -4.123 12.393 1.00 3.34 C ATOM 0 H ALA A 728 -6.600 -6.357 11.637 1.00 23.34 H new ATOM 0 HA ALA A 728 -6.884 -4.899 14.174 1.00 51.33 H new ATOM 0 HB1 ALA A 728 -8.494 -3.526 12.921 1.00 3.34 H new ATOM 0 HB2 ALA A 728 -6.880 -3.505 12.171 1.00 3.34 H new ATOM 0 HB3 ALA A 728 -8.178 -4.495 11.462 1.00 3.34 H new ATOM 234 N LYS A 729 -9.099 -6.784 12.660 1.00 23.13 N ATOM 235 CA LYS A 729 -10.265 -7.612 12.898 1.00 53.42 C ATOM 236 C LYS A 729 -9.900 -9.083 12.922 1.00 41.14 C ATOM 237 O LYS A 729 -10.575 -9.884 13.569 1.00 53.40 O ATOM 238 CB LYS A 729 -11.284 -7.359 11.837 1.00 74.55 C ATOM 239 CG LYS A 729 -11.570 -5.899 11.627 1.00 74.31 C ATOM 240 CD LYS A 729 -11.595 -5.567 10.171 1.00 54.33 C ATOM 241 CE LYS A 729 -12.814 -6.157 9.491 1.00 64.44 C ATOM 242 NZ LYS A 729 -12.737 -6.025 8.031 1.00 75.51 N ATOM 0 H LYS A 729 -8.781 -6.765 11.691 1.00 23.13 H new ATOM 0 HA LYS A 729 -10.676 -7.351 13.873 1.00 53.42 H new ATOM 0 HB2 LYS A 729 -10.938 -7.793 10.899 1.00 74.55 H new ATOM 0 HB3 LYS A 729 -12.210 -7.869 12.102 1.00 74.55 H new ATOM 0 HG2 LYS A 729 -12.528 -5.643 12.079 1.00 74.31 H new ATOM 0 HG3 LYS A 729 -10.810 -5.299 12.128 1.00 74.31 H new ATOM 0 HD2 LYS A 729 -11.593 -4.485 10.043 1.00 54.33 H new ATOM 0 HD3 LYS A 729 -10.691 -5.946 9.694 1.00 54.33 H new ATOM 0 HE2 LYS A 729 -12.905 -7.210 9.757 1.00 64.44 H new ATOM 0 HE3 LYS A 729 -13.712 -5.657 9.855 1.00 64.44 H new ATOM 0 HZ1 LYS A 729 -13.554 -6.499 7.596 1.00 75.51 H new ATOM 0 HZ2 LYS A 729 -12.743 -5.018 7.773 1.00 75.51 H new ATOM 0 HZ3 LYS A 729 -11.859 -6.465 7.688 1.00 75.51 H new ATOM 256 N PHE A 730 -8.804 -9.436 12.215 1.00 62.23 N ATOM 257 CA PHE A 730 -8.321 -10.823 12.127 1.00 3.21 C ATOM 258 C PHE A 730 -9.385 -11.699 11.534 1.00 15.53 C ATOM 259 O PHE A 730 -9.632 -12.794 11.992 1.00 11.21 O ATOM 260 CB PHE A 730 -7.906 -11.352 13.502 1.00 50.52 C ATOM 261 CG PHE A 730 -7.058 -10.422 14.286 1.00 44.33 C ATOM 262 CD1 PHE A 730 -7.638 -9.437 15.035 1.00 32.32 C ATOM 263 CD2 PHE A 730 -5.690 -10.530 14.274 1.00 41.53 C ATOM 264 CE1 PHE A 730 -6.901 -8.578 15.754 1.00 31.13 C ATOM 265 CE2 PHE A 730 -4.922 -9.663 15.003 1.00 63.35 C ATOM 266 CZ PHE A 730 -5.529 -8.678 15.750 1.00 43.14 C ATOM 0 H PHE A 730 -8.235 -8.769 11.694 1.00 62.23 H new ATOM 0 HA PHE A 730 -7.443 -10.838 11.482 1.00 3.21 H new ATOM 0 HB2 PHE A 730 -8.804 -11.578 14.077 1.00 50.52 H new ATOM 0 HB3 PHE A 730 -7.368 -12.291 13.369 1.00 50.52 H new ATOM 0 HD1 PHE A 730 -8.714 -9.348 15.048 1.00 32.32 H new ATOM 0 HD2 PHE A 730 -5.217 -11.303 13.686 1.00 41.53 H new ATOM 0 HE1 PHE A 730 -7.385 -7.808 16.336 1.00 31.13 H new ATOM 0 HE2 PHE A 730 -3.846 -9.751 14.993 1.00 63.35 H new ATOM 0 HZ PHE A 730 -4.932 -7.989 16.329 1.00 43.14 H new ATOM 276 N GLU A 731 -10.013 -11.205 10.544 1.00 42.44 N ATOM 277 CA GLU A 731 -11.082 -11.919 9.880 1.00 74.24 C ATOM 278 C GLU A 731 -10.789 -12.097 8.395 1.00 22.44 C ATOM 279 O GLU A 731 -11.355 -12.981 7.737 1.00 54.44 O ATOM 280 CB GLU A 731 -12.391 -11.165 10.057 1.00 25.30 C ATOM 281 CG GLU A 731 -12.776 -10.946 11.501 1.00 62.03 C ATOM 282 CD GLU A 731 -14.065 -10.185 11.654 1.00 61.13 C ATOM 283 OE1 GLU A 731 -15.023 -10.478 10.924 1.00 72.31 O ATOM 284 OE2 GLU A 731 -14.128 -9.280 12.506 1.00 10.12 O ATOM 0 H GLU A 731 -9.816 -10.285 10.149 1.00 42.44 H new ATOM 0 HA GLU A 731 -11.162 -12.908 10.332 1.00 74.24 H new ATOM 0 HB2 GLU A 731 -12.313 -10.198 9.561 1.00 25.30 H new ATOM 0 HB3 GLU A 731 -13.188 -11.716 9.557 1.00 25.30 H new ATOM 0 HG2 GLU A 731 -12.869 -11.912 11.998 1.00 62.03 H new ATOM 0 HG3 GLU A 731 -11.977 -10.403 12.007 1.00 62.03 H new ATOM 291 N GLU A 732 -9.919 -11.275 7.881 1.00 71.40 N ATOM 292 CA GLU A 732 -9.626 -11.251 6.465 1.00 61.13 C ATOM 293 C GLU A 732 -8.445 -12.159 6.071 1.00 3.22 C ATOM 294 O GLU A 732 -8.646 -13.349 5.772 1.00 74.51 O ATOM 295 CB GLU A 732 -9.428 -9.795 5.940 1.00 35.14 C ATOM 296 CG GLU A 732 -8.726 -8.831 6.922 1.00 32.11 C ATOM 297 CD GLU A 732 -9.629 -8.393 8.057 1.00 31.14 C ATOM 298 OE1 GLU A 732 -10.581 -7.626 7.796 1.00 33.50 O ATOM 299 OE2 GLU A 732 -9.409 -8.838 9.202 1.00 23.51 O ATOM 0 H GLU A 732 -9.388 -10.598 8.429 1.00 71.40 H new ATOM 0 HA GLU A 732 -10.505 -11.667 5.973 1.00 61.13 H new ATOM 0 HB2 GLU A 732 -8.848 -9.834 5.018 1.00 35.14 H new ATOM 0 HB3 GLU A 732 -10.404 -9.382 5.686 1.00 35.14 H new ATOM 0 HG2 GLU A 732 -7.842 -9.318 7.334 1.00 32.11 H new ATOM 0 HG3 GLU A 732 -8.381 -7.952 6.378 1.00 32.11 H new ATOM 306 N GLU A 733 -7.215 -11.592 6.078 1.00 31.31 N ATOM 307 CA GLU A 733 -6.000 -12.293 5.644 1.00 71.33 C ATOM 308 C GLU A 733 -5.971 -12.561 4.173 1.00 5.45 C ATOM 309 O GLU A 733 -6.685 -13.425 3.661 1.00 71.34 O ATOM 310 CB GLU A 733 -5.742 -13.543 6.381 1.00 15.32 C ATOM 311 CG GLU A 733 -5.580 -13.410 7.857 1.00 2.30 C ATOM 312 CD GLU A 733 -5.242 -14.746 8.497 1.00 73.22 C ATOM 313 OE1 GLU A 733 -5.624 -15.824 7.905 1.00 53.32 O ATOM 314 OE2 GLU A 733 -4.633 -14.755 9.554 1.00 3.34 O ATOM 0 H GLU A 733 -7.046 -10.635 6.386 1.00 31.31 H new ATOM 0 HA GLU A 733 -5.197 -11.595 5.882 1.00 71.33 H new ATOM 0 HB2 GLU A 733 -6.564 -14.232 6.186 1.00 15.32 H new ATOM 0 HB3 GLU A 733 -4.839 -14.000 5.976 1.00 15.32 H new ATOM 0 HG2 GLU A 733 -4.791 -12.690 8.075 1.00 2.30 H new ATOM 0 HG3 GLU A 733 -6.499 -13.018 8.292 1.00 2.30 H new ATOM 321 N ARG A 734 -5.181 -11.830 3.507 1.00 41.22 N ATOM 322 CA ARG A 734 -4.888 -12.095 2.122 1.00 4.43 C ATOM 323 C ARG A 734 -3.708 -13.007 2.014 1.00 42.11 C ATOM 324 O ARG A 734 -3.743 -14.001 1.302 1.00 4.42 O ATOM 325 CB ARG A 734 -4.620 -10.816 1.382 1.00 65.34 C ATOM 326 CG ARG A 734 -5.687 -9.806 1.572 1.00 62.20 C ATOM 327 CD ARG A 734 -7.057 -10.397 1.315 1.00 53.50 C ATOM 328 NE ARG A 734 -7.283 -10.705 -0.101 1.00 71.50 N ATOM 329 CZ ARG A 734 -8.446 -11.136 -0.608 1.00 0.51 C ATOM 330 NH1 ARG A 734 -9.506 -11.283 0.183 1.00 23.52 N ATOM 331 NH2 ARG A 734 -8.548 -11.413 -1.907 1.00 61.41 N ATOM 0 H ARG A 734 -4.701 -11.015 3.890 1.00 41.22 H new ATOM 0 HA ARG A 734 -5.755 -12.578 1.672 1.00 4.43 H new ATOM 0 HB2 ARG A 734 -3.670 -10.401 1.717 1.00 65.34 H new ATOM 0 HB3 ARG A 734 -4.516 -11.032 0.319 1.00 65.34 H new ATOM 0 HG2 ARG A 734 -5.643 -9.414 2.588 1.00 62.20 H new ATOM 0 HG3 ARG A 734 -5.519 -8.966 0.898 1.00 62.20 H new ATOM 0 HD2 ARG A 734 -7.172 -11.307 1.904 1.00 53.50 H new ATOM 0 HD3 ARG A 734 -7.820 -9.698 1.657 1.00 53.50 H new ATOM 0 HE ARG A 734 -6.501 -10.583 -0.744 1.00 71.50 H new ATOM 0 HH11 ARG A 734 -9.434 -11.067 1.177 1.00 23.52 H new ATOM 0 HH12 ARG A 734 -10.390 -11.611 -0.205 1.00 23.52 H new ATOM 0 HH21 ARG A 734 -7.740 -11.297 -2.518 1.00 61.41 H new ATOM 0 HH22 ARG A 734 -9.434 -11.741 -2.290 1.00 61.41 H new ATOM 345 N ALA A 735 -2.667 -12.678 2.730 1.00 4.23 N ATOM 346 CA ALA A 735 -1.475 -13.472 2.736 1.00 61.04 C ATOM 347 C ALA A 735 -1.281 -14.131 4.099 1.00 30.32 C ATOM 348 O ALA A 735 -0.168 -14.536 4.457 1.00 63.44 O ATOM 349 CB ALA A 735 -0.282 -12.613 2.373 1.00 11.14 C ATOM 0 H ALA A 735 -2.624 -11.851 3.325 1.00 4.23 H new ATOM 0 HA ALA A 735 -1.570 -14.263 1.992 1.00 61.04 H new ATOM 0 HB1 ALA A 735 0.621 -13.223 2.379 1.00 11.14 H new ATOM 0 HB2 ALA A 735 -0.427 -12.190 1.379 1.00 11.14 H new ATOM 0 HB3 ALA A 735 -0.180 -11.806 3.099 1.00 11.14 H new ATOM 355 N ARG A 736 -2.384 -14.239 4.855 1.00 64.53 N ATOM 356 CA ARG A 736 -2.381 -14.858 6.193 1.00 4.03 C ATOM 357 C ARG A 736 -1.476 -14.071 7.135 1.00 33.23 C ATOM 358 O ARG A 736 -0.617 -14.643 7.825 1.00 75.42 O ATOM 359 CB ARG A 736 -1.920 -16.312 6.111 1.00 31.12 C ATOM 360 CG ARG A 736 -2.263 -17.147 7.339 1.00 44.14 C ATOM 361 CD ARG A 736 -1.772 -18.582 7.204 1.00 10.34 C ATOM 362 NE ARG A 736 -0.304 -18.688 7.285 1.00 53.23 N ATOM 363 CZ ARG A 736 0.394 -19.823 7.072 1.00 32.31 C ATOM 364 NH1 ARG A 736 -0.240 -20.951 6.748 1.00 43.23 N ATOM 365 NH2 ARG A 736 1.722 -19.822 7.193 1.00 72.44 N ATOM 0 H ARG A 736 -3.300 -13.902 4.560 1.00 64.53 H new ATOM 0 HA ARG A 736 -3.398 -14.840 6.584 1.00 4.03 H new ATOM 0 HB2 ARG A 736 -2.371 -16.775 5.233 1.00 31.12 H new ATOM 0 HB3 ARG A 736 -0.840 -16.331 5.963 1.00 31.12 H new ATOM 0 HG2 ARG A 736 -1.817 -16.692 8.224 1.00 44.14 H new ATOM 0 HG3 ARG A 736 -3.343 -17.145 7.490 1.00 44.14 H new ATOM 0 HD2 ARG A 736 -2.221 -19.191 7.989 1.00 10.34 H new ATOM 0 HD3 ARG A 736 -2.110 -18.990 6.251 1.00 10.34 H new ATOM 0 HE ARG A 736 0.221 -17.845 7.518 1.00 53.23 H new ATOM 0 HH11 ARG A 736 -1.256 -20.958 6.660 1.00 43.23 H new ATOM 0 HH12 ARG A 736 0.291 -21.807 6.588 1.00 43.23 H new ATOM 0 HH21 ARG A 736 2.210 -18.963 7.447 1.00 72.44 H new ATOM 0 HH22 ARG A 736 2.249 -20.680 7.032 1.00 72.44 H new ATOM 379 N ALA A 737 -1.654 -12.754 7.128 1.00 61.53 N ATOM 380 CA ALA A 737 -0.886 -11.829 7.967 1.00 73.14 C ATOM 381 C ALA A 737 0.620 -11.939 7.700 1.00 70.51 C ATOM 382 O ALA A 737 1.424 -11.566 8.521 1.00 22.31 O ATOM 383 CB ALA A 737 -1.201 -12.053 9.415 1.00 5.14 C ATOM 0 H ALA A 737 -2.342 -12.290 6.535 1.00 61.53 H new ATOM 0 HA ALA A 737 -1.182 -10.813 7.705 1.00 73.14 H new ATOM 0 HB1 ALA A 737 -0.623 -11.359 10.025 1.00 5.14 H new ATOM 0 HB2 ALA A 737 -2.265 -11.887 9.586 1.00 5.14 H new ATOM 0 HB3 ALA A 737 -0.945 -13.076 9.689 1.00 5.14 H new ATOM 389 N LYS A 738 0.944 -12.437 6.511 1.00 31.51 N ATOM 390 CA LYS A 738 2.337 -12.675 6.024 1.00 24.32 C ATOM 391 C LYS A 738 3.319 -11.597 6.444 1.00 3.02 C ATOM 392 O LYS A 738 4.341 -11.882 7.067 1.00 21.25 O ATOM 393 CB LYS A 738 2.331 -12.749 4.504 1.00 71.20 C ATOM 394 CG LYS A 738 3.698 -13.026 3.887 1.00 50.10 C ATOM 395 CD LYS A 738 4.275 -14.319 4.422 1.00 13.21 C ATOM 396 CE LYS A 738 5.692 -14.547 3.944 1.00 33.12 C ATOM 397 NZ LYS A 738 6.286 -15.741 4.577 1.00 13.44 N ATOM 0 H LYS A 738 0.238 -12.701 5.824 1.00 31.51 H new ATOM 0 HA LYS A 738 2.666 -13.611 6.476 1.00 24.32 H new ATOM 0 HB2 LYS A 738 1.639 -13.531 4.192 1.00 71.20 H new ATOM 0 HB3 LYS A 738 1.949 -11.808 4.107 1.00 71.20 H new ATOM 0 HG2 LYS A 738 3.608 -13.084 2.802 1.00 50.10 H new ATOM 0 HG3 LYS A 738 4.376 -12.201 4.107 1.00 50.10 H new ATOM 0 HD2 LYS A 738 4.258 -14.300 5.512 1.00 13.21 H new ATOM 0 HD3 LYS A 738 3.648 -15.153 4.108 1.00 13.21 H new ATOM 0 HE2 LYS A 738 5.698 -14.666 2.861 1.00 33.12 H new ATOM 0 HE3 LYS A 738 6.300 -13.672 4.172 1.00 33.12 H new ATOM 0 HZ1 LYS A 738 7.225 -15.920 4.167 1.00 13.44 H new ATOM 0 HZ2 LYS A 738 6.379 -15.581 5.600 1.00 13.44 H new ATOM 0 HZ3 LYS A 738 5.673 -16.564 4.410 1.00 13.44 H new ATOM 411 N TRP A 739 3.021 -10.390 6.069 1.00 1.55 N ATOM 412 CA TRP A 739 3.891 -9.260 6.299 1.00 52.10 C ATOM 413 C TRP A 739 4.088 -9.055 7.784 1.00 60.31 C ATOM 414 O TRP A 739 5.202 -8.844 8.244 1.00 34.22 O ATOM 415 CB TRP A 739 3.284 -8.010 5.671 1.00 54.13 C ATOM 416 CG TRP A 739 2.282 -8.311 4.582 1.00 45.21 C ATOM 417 CD1 TRP A 739 2.494 -8.329 3.252 1.00 51.10 C ATOM 418 CD2 TRP A 739 0.921 -8.638 4.770 1.00 53.42 C ATOM 419 NE1 TRP A 739 1.323 -8.646 2.599 1.00 71.34 N ATOM 420 CE2 TRP A 739 0.351 -8.834 3.511 1.00 52.52 C ATOM 421 CE3 TRP A 739 0.144 -8.776 5.875 1.00 52.24 C ATOM 422 CZ2 TRP A 739 -0.990 -9.166 3.348 1.00 32.40 C ATOM 423 CZ3 TRP A 739 -1.159 -9.099 5.722 1.00 33.21 C ATOM 424 CH2 TRP A 739 -1.717 -9.288 4.456 1.00 50.32 C ATOM 0 H TRP A 739 2.155 -10.151 5.586 1.00 1.55 H new ATOM 0 HA TRP A 739 4.861 -9.453 5.841 1.00 52.10 H new ATOM 0 HB2 TRP A 739 2.798 -7.421 6.449 1.00 54.13 H new ATOM 0 HB3 TRP A 739 4.084 -7.395 5.259 1.00 54.13 H new ATOM 0 HD1 TRP A 739 3.439 -8.126 2.770 1.00 51.10 H new ATOM 0 HE1 TRP A 739 1.211 -8.725 1.588 1.00 71.34 H new ATOM 0 HE3 TRP A 739 0.561 -8.630 6.861 1.00 52.24 H new ATOM 0 HZ2 TRP A 739 -1.421 -9.317 2.369 1.00 32.40 H new ATOM 0 HZ3 TRP A 739 -1.782 -9.213 6.597 1.00 33.21 H new ATOM 0 HH2 TRP A 739 -2.764 -9.539 4.374 1.00 50.32 H new ATOM 435 N ASP A 740 2.973 -9.113 8.526 1.00 51.45 N ATOM 436 CA ASP A 740 2.989 -9.085 10.032 1.00 21.21 C ATOM 437 C ASP A 740 3.650 -7.796 10.562 1.00 21.02 C ATOM 438 O ASP A 740 4.057 -7.716 11.710 1.00 14.31 O ATOM 439 CB ASP A 740 3.720 -10.340 10.568 1.00 23.24 C ATOM 440 CG ASP A 740 3.442 -10.649 12.037 1.00 24.44 C ATOM 441 OD1 ASP A 740 2.393 -11.283 12.330 1.00 34.44 O ATOM 442 OD2 ASP A 740 4.262 -10.288 12.895 1.00 14.45 O ATOM 0 H ASP A 740 2.037 -9.180 8.126 1.00 51.45 H new ATOM 0 HA ASP A 740 1.960 -9.092 10.390 1.00 21.21 H new ATOM 0 HB2 ASP A 740 3.428 -11.201 9.966 1.00 23.24 H new ATOM 0 HB3 ASP A 740 4.793 -10.206 10.434 1.00 23.24 H new ATOM 447 N THR A 741 3.676 -6.786 9.724 1.00 31.24 N ATOM 448 CA THR A 741 4.364 -5.532 10.002 1.00 51.11 C ATOM 449 C THR A 741 3.745 -4.779 11.163 1.00 42.22 C ATOM 450 O THR A 741 4.387 -3.931 11.787 1.00 14.12 O ATOM 451 CB THR A 741 4.364 -4.666 8.776 1.00 33.42 C ATOM 452 OG1 THR A 741 3.113 -4.854 8.080 1.00 31.15 O ATOM 453 CG2 THR A 741 5.505 -5.049 7.871 1.00 71.22 C ATOM 0 H THR A 741 3.215 -6.806 8.814 1.00 31.24 H new ATOM 0 HA THR A 741 5.388 -5.780 10.283 1.00 51.11 H new ATOM 0 HB THR A 741 4.482 -3.622 9.065 1.00 33.42 H new ATOM 0 HG1 THR A 741 2.794 -3.991 7.742 1.00 31.15 H new ATOM 0 HG21 THR A 741 5.495 -4.414 6.985 1.00 71.22 H new ATOM 0 HG22 THR A 741 6.449 -4.919 8.400 1.00 71.22 H new ATOM 0 HG23 THR A 741 5.398 -6.092 7.572 1.00 71.22 H new ATOM 461 N ALA A 742 2.516 -5.093 11.453 1.00 71.13 N ATOM 462 CA ALA A 742 1.821 -4.512 12.580 1.00 70.44 C ATOM 463 C ALA A 742 2.402 -5.017 13.883 1.00 35.12 C ATOM 464 O ALA A 742 2.193 -4.426 14.940 1.00 30.22 O ATOM 465 CB ALA A 742 0.357 -4.858 12.511 1.00 3.14 C ATOM 0 H ALA A 742 1.960 -5.760 10.918 1.00 71.13 H new ATOM 0 HA ALA A 742 1.942 -3.429 12.540 1.00 70.44 H new ATOM 0 HB1 ALA A 742 -0.161 -4.418 13.363 1.00 3.14 H new ATOM 0 HB2 ALA A 742 -0.066 -4.466 11.586 1.00 3.14 H new ATOM 0 HB3 ALA A 742 0.238 -5.941 12.534 1.00 3.14 H new ATOM 471 N ASN A 743 3.130 -6.094 13.799 1.00 24.40 N ATOM 472 CA ASN A 743 3.635 -6.760 14.955 1.00 11.13 C ATOM 473 C ASN A 743 5.130 -6.607 15.017 1.00 74.25 C ATOM 474 O ASN A 743 5.669 -6.011 15.948 1.00 53.42 O ATOM 475 CB ASN A 743 3.272 -8.235 14.890 1.00 62.12 C ATOM 476 CG ASN A 743 1.811 -8.470 14.563 1.00 21.00 C ATOM 477 OD1 ASN A 743 0.983 -8.649 15.453 1.00 34.15 O ATOM 478 ND2 ASN A 743 1.481 -8.432 13.286 1.00 15.52 N ATOM 0 H ASN A 743 3.389 -6.535 12.916 1.00 24.40 H new ATOM 0 HA ASN A 743 3.194 -6.318 15.848 1.00 11.13 H new ATOM 0 HB2 ASN A 743 3.891 -8.723 14.137 1.00 62.12 H new ATOM 0 HB3 ASN A 743 3.505 -8.704 15.846 1.00 62.12 H new ATOM 0 HD21 ASN A 743 0.507 -8.554 13.007 1.00 15.52 H new ATOM 0 HD22 ASN A 743 2.199 -8.281 12.578 1.00 15.52 H new ATOM 485 N ASN A 744 5.803 -7.131 14.018 1.00 64.43 N ATOM 486 CA ASN A 744 7.229 -7.005 13.913 1.00 44.13 C ATOM 487 C ASN A 744 7.621 -6.621 12.445 1.00 42.10 C ATOM 488 O ASN A 744 6.757 -6.529 11.605 1.00 13.25 O ATOM 489 CB ASN A 744 7.954 -8.328 14.433 1.00 71.44 C ATOM 490 CG ASN A 744 7.706 -9.605 13.598 1.00 64.22 C ATOM 491 OD1 ASN A 744 7.700 -9.487 12.309 1.00 13.13 O flip ATOM 492 ND2 ASN A 744 7.606 -10.709 14.156 1.00 32.24 N flip ATOM 0 H ASN A 744 5.372 -7.656 13.257 1.00 64.43 H new ATOM 0 HA ASN A 744 7.576 -6.198 14.559 1.00 44.13 H new ATOM 0 HB2 ASN A 744 9.027 -8.142 14.467 1.00 71.44 H new ATOM 0 HB3 ASN A 744 7.631 -8.518 15.457 1.00 71.44 H new ATOM 0 HD21 ASN A 744 7.614 -10.768 15.174 1.00 32.24 H new ATOM 0 HD22 ASN A 744 7.516 -11.557 13.596 1.00 32.24 H new ATOM 499 N PRO A 745 8.938 -6.402 12.140 1.00 53.35 N ATOM 500 CA PRO A 745 9.383 -5.951 10.802 1.00 20.42 C ATOM 501 C PRO A 745 8.992 -6.928 9.697 1.00 30.43 C ATOM 502 O PRO A 745 8.296 -6.559 8.752 1.00 31.15 O ATOM 503 CB PRO A 745 10.906 -5.894 10.945 1.00 62.43 C ATOM 504 CG PRO A 745 11.187 -6.762 12.110 1.00 64.43 C ATOM 505 CD PRO A 745 10.061 -6.565 13.034 1.00 3.31 C ATOM 0 HA PRO A 745 8.926 -5.004 10.517 1.00 20.42 H new ATOM 0 HB2 PRO A 745 11.405 -6.257 10.047 1.00 62.43 H new ATOM 0 HB3 PRO A 745 11.254 -4.875 11.113 1.00 62.43 H new ATOM 0 HG2 PRO A 745 11.268 -7.807 11.809 1.00 64.43 H new ATOM 0 HG3 PRO A 745 12.132 -6.491 12.581 1.00 64.43 H new ATOM 0 HD2 PRO A 745 9.929 -7.419 13.698 1.00 3.31 H new ATOM 0 HD3 PRO A 745 10.205 -5.689 13.666 1.00 3.31 H new ATOM 513 N LEU A 746 9.443 -8.162 9.815 1.00 12.40 N ATOM 514 CA LEU A 746 9.101 -9.188 8.836 1.00 41.54 C ATOM 515 C LEU A 746 8.447 -10.369 9.506 1.00 42.04 C ATOM 516 O LEU A 746 7.298 -10.660 9.246 1.00 72.10 O ATOM 517 CB LEU A 746 10.336 -9.602 7.996 1.00 72.45 C ATOM 518 CG LEU A 746 11.583 -10.044 8.770 1.00 33.24 C ATOM 519 CD1 LEU A 746 11.804 -11.547 8.660 1.00 33.44 C ATOM 520 CD2 LEU A 746 12.792 -9.285 8.310 1.00 71.31 C ATOM 0 H LEU A 746 10.045 -8.482 10.574 1.00 12.40 H new ATOM 0 HA LEU A 746 8.376 -8.766 8.140 1.00 41.54 H new ATOM 0 HB2 LEU A 746 10.040 -10.417 7.336 1.00 72.45 H new ATOM 0 HB3 LEU A 746 10.612 -8.761 7.360 1.00 72.45 H new ATOM 0 HG LEU A 746 11.419 -9.815 9.823 1.00 33.24 H new ATOM 0 HD11 LEU A 746 12.696 -11.826 9.220 1.00 33.44 H new ATOM 0 HD12 LEU A 746 10.941 -12.073 9.068 1.00 33.44 H new ATOM 0 HD13 LEU A 746 11.933 -11.820 7.613 1.00 33.44 H new ATOM 0 HD21 LEU A 746 13.665 -9.615 8.873 1.00 71.31 H new ATOM 0 HD22 LEU A 746 12.955 -9.469 7.248 1.00 71.31 H new ATOM 0 HD23 LEU A 746 12.636 -8.219 8.474 1.00 71.31 H new HETATM 532 N PTR A 747 9.204 -11.043 10.387 1.00 43.13 N HETATM 533 CA PTR A 747 8.697 -12.093 11.256 1.00 3.12 C HETATM 534 C PTR A 747 9.810 -12.731 12.076 1.00 32.33 C HETATM 535 O PTR A 747 10.282 -13.823 11.788 1.00 11.31 O HETATM 536 CB PTR A 747 7.796 -13.129 10.550 1.00 24.32 C HETATM 537 CG PTR A 747 8.449 -13.974 9.444 1.00 34.30 C HETATM 538 CD1 PTR A 747 8.719 -13.432 8.200 1.00 23.51 C HETATM 539 CD2 PTR A 747 8.754 -15.311 9.650 1.00 4.45 C HETATM 540 CE1 PTR A 747 9.273 -14.186 7.198 1.00 2.52 C HETATM 541 CE2 PTR A 747 9.316 -16.072 8.651 1.00 12.11 C HETATM 542 CZ PTR A 747 9.570 -15.503 7.424 1.00 33.33 C HETATM 543 OH PTR A 747 10.125 -16.271 6.403 1.00 37.22 O HETATM 544 P PTR A 747 9.341 -16.745 5.141 1.00 37.22 P HETATM 545 O1P PTR A 747 8.936 -15.513 4.320 1.00 37.22 O HETATM 546 O2P PTR A 747 10.315 -17.571 4.270 1.00 37.22 O HETATM 547 O3P PTR A 747 8.267 -17.503 5.718 1.00 37.22 O HETATM 0 HE2 PTR A 747 9.559 -17.119 8.830 1.00 12.11 H new HETATM 0 HE1 PTR A 747 9.476 -13.739 6.225 1.00 2.52 H new HETATM 0 HD2 PTR A 747 8.545 -15.766 10.618 1.00 4.45 H new HETATM 0 HD1 PTR A 747 8.486 -12.384 8.013 1.00 23.51 H new HETATM 0 HB3 PTR A 747 7.400 -13.807 11.306 1.00 24.32 H new HETATM 0 HB2 PTR A 747 6.946 -12.602 10.118 1.00 24.32 H new HETATM 0 HA PTR A 747 8.025 -11.595 11.955 1.00 3.12 H new HETATM 0 H PTR A 747 10.199 -10.819 10.384 1.00 43.13 H new ATOM 556 N LYS A 748 10.243 -12.006 13.064 1.00 50.34 N ATOM 557 CA LYS A 748 11.290 -12.447 13.967 1.00 24.25 C ATOM 558 C LYS A 748 10.727 -13.369 15.031 1.00 60.32 C ATOM 559 O LYS A 748 11.423 -14.242 15.549 1.00 53.31 O ATOM 560 CB LYS A 748 11.944 -11.220 14.615 1.00 50.14 C ATOM 561 CG LYS A 748 10.947 -10.288 15.295 1.00 11.51 C ATOM 562 CD LYS A 748 11.417 -8.849 15.281 1.00 2.03 C ATOM 563 CE LYS A 748 12.586 -8.620 16.197 1.00 12.14 C ATOM 564 NZ LYS A 748 12.237 -8.886 17.611 1.00 71.23 N ATOM 0 H LYS A 748 9.880 -11.077 13.277 1.00 50.34 H new ATOM 0 HA LYS A 748 12.039 -13.004 13.403 1.00 24.25 H new ATOM 0 HB2 LYS A 748 12.677 -11.554 15.350 1.00 50.14 H new ATOM 0 HB3 LYS A 748 12.488 -10.663 13.852 1.00 50.14 H new ATOM 0 HG2 LYS A 748 9.983 -10.359 14.792 1.00 11.51 H new ATOM 0 HG3 LYS A 748 10.794 -10.610 16.325 1.00 11.51 H new ATOM 0 HD2 LYS A 748 11.695 -8.570 14.265 1.00 2.03 H new ATOM 0 HD3 LYS A 748 10.594 -8.198 15.576 1.00 2.03 H new ATOM 0 HE2 LYS A 748 13.413 -9.265 15.899 1.00 12.14 H new ATOM 0 HE3 LYS A 748 12.931 -7.591 16.095 1.00 12.14 H new ATOM 0 HZ1 LYS A 748 12.932 -8.425 18.233 1.00 71.23 H new ATOM 0 HZ2 LYS A 748 11.289 -8.509 17.811 1.00 71.23 H new ATOM 0 HZ3 LYS A 748 12.245 -9.912 17.784 1.00 71.23 H new ATOM 578 N GLU A 749 9.476 -13.180 15.344 1.00 24.23 N ATOM 579 CA GLU A 749 8.825 -13.979 16.342 1.00 35.40 C ATOM 580 C GLU A 749 7.943 -15.005 15.696 1.00 73.34 C ATOM 581 O GLU A 749 8.185 -16.206 15.808 1.00 61.10 O ATOM 582 CB GLU A 749 8.011 -13.106 17.287 1.00 1.50 C ATOM 583 CG GLU A 749 8.830 -12.092 18.050 1.00 21.12 C ATOM 584 CD GLU A 749 8.010 -11.332 19.044 1.00 74.43 C ATOM 585 OE1 GLU A 749 7.843 -11.828 20.192 1.00 44.41 O ATOM 586 OE2 GLU A 749 7.516 -10.240 18.701 1.00 54.51 O ATOM 0 H GLU A 749 8.881 -12.470 14.916 1.00 24.23 H new ATOM 0 HA GLU A 749 9.593 -14.491 16.922 1.00 35.40 H new ATOM 0 HB2 GLU A 749 7.247 -12.582 16.713 1.00 1.50 H new ATOM 0 HB3 GLU A 749 7.491 -13.747 17.999 1.00 1.50 H new ATOM 0 HG2 GLU A 749 9.644 -12.600 18.567 1.00 21.12 H new ATOM 0 HG3 GLU A 749 9.285 -11.393 17.348 1.00 21.12 H new ATOM 593 N ALA A 750 6.942 -14.540 15.006 1.00 22.13 N ATOM 594 CA ALA A 750 6.018 -15.378 14.358 1.00 1.54 C ATOM 595 C ALA A 750 5.283 -14.591 13.321 1.00 13.32 C ATOM 596 O ALA A 750 5.684 -13.488 12.975 1.00 50.52 O ATOM 597 CB ALA A 750 5.041 -15.947 15.375 1.00 72.22 C ATOM 0 H ALA A 750 6.755 -13.545 14.885 1.00 22.13 H new ATOM 0 HA ALA A 750 6.544 -16.203 13.877 1.00 1.54 H new ATOM 0 HB1 ALA A 750 4.326 -16.596 14.869 1.00 72.22 H new ATOM 0 HB2 ALA A 750 5.588 -16.522 16.122 1.00 72.22 H new ATOM 0 HB3 ALA A 750 4.508 -15.131 15.863 1.00 72.22 H new ATOM 603 N THR A 751 4.253 -15.145 12.829 1.00 14.13 N ATOM 604 CA THR A 751 3.393 -14.486 11.906 1.00 74.22 C ATOM 605 C THR A 751 1.944 -14.713 12.360 1.00 24.22 C ATOM 606 O THR A 751 1.647 -15.741 12.998 1.00 2.13 O ATOM 607 CB THR A 751 3.605 -15.026 10.482 1.00 12.43 C ATOM 608 OG1 THR A 751 5.027 -15.183 10.248 1.00 1.33 O ATOM 609 CG2 THR A 751 3.063 -14.054 9.469 1.00 4.22 C ATOM 0 H THR A 751 3.965 -16.097 13.055 1.00 14.13 H new ATOM 0 HA THR A 751 3.617 -13.419 11.886 1.00 74.22 H new ATOM 0 HB THR A 751 3.087 -15.980 10.384 1.00 12.43 H new ATOM 0 HG1 THR A 751 5.173 -15.529 9.343 1.00 1.33 H new ATOM 0 HG21 THR A 751 3.220 -14.449 8.465 1.00 4.22 H new ATOM 0 HG22 THR A 751 1.996 -13.908 9.639 1.00 4.22 H new ATOM 0 HG23 THR A 751 3.580 -13.099 9.568 1.00 4.22 H new ATOM 617 N SER A 752 1.067 -13.787 12.069 1.00 50.12 N ATOM 618 CA SER A 752 -0.266 -13.813 12.648 1.00 4.14 C ATOM 619 C SER A 752 -1.233 -14.668 11.838 1.00 43.20 C ATOM 620 O SER A 752 -1.057 -14.853 10.641 1.00 31.53 O ATOM 621 CB SER A 752 -0.815 -12.392 12.793 1.00 73.54 C ATOM 622 OG SER A 752 0.093 -11.553 13.515 1.00 42.13 O ATOM 0 H SER A 752 1.244 -13.005 11.438 1.00 50.12 H new ATOM 0 HA SER A 752 -0.176 -14.268 13.634 1.00 4.14 H new ATOM 0 HB2 SER A 752 -0.998 -11.968 11.805 1.00 73.54 H new ATOM 0 HB3 SER A 752 -1.774 -12.422 13.309 1.00 73.54 H new ATOM 0 HG SER A 752 0.889 -11.385 12.968 1.00 42.13 H new ATOM 628 N THR A 753 -2.218 -15.223 12.524 1.00 14.01 N ATOM 629 CA THR A 753 -3.341 -15.880 11.917 1.00 14.11 C ATOM 630 C THR A 753 -4.453 -15.960 12.971 1.00 15.51 C ATOM 631 O THR A 753 -4.255 -15.530 14.116 1.00 64.04 O ATOM 632 CB THR A 753 -3.002 -17.325 11.424 1.00 35.12 C ATOM 633 OG1 THR A 753 -1.671 -17.373 10.894 1.00 64.24 O ATOM 634 CG2 THR A 753 -3.967 -17.745 10.325 1.00 73.40 C ATOM 0 H THR A 753 -2.251 -15.224 13.543 1.00 14.01 H new ATOM 0 HA THR A 753 -3.644 -15.308 11.040 1.00 14.11 H new ATOM 0 HB THR A 753 -3.087 -17.999 12.276 1.00 35.12 H new ATOM 0 HG1 THR A 753 -1.464 -16.524 10.451 1.00 64.24 H new ATOM 0 HG21 THR A 753 -3.721 -18.753 9.990 1.00 73.40 H new ATOM 0 HG22 THR A 753 -4.986 -17.730 10.711 1.00 73.40 H new ATOM 0 HG23 THR A 753 -3.886 -17.054 9.486 1.00 73.40 H new ATOM 642 N PHE A 754 -5.571 -16.478 12.613 1.00 13.11 N ATOM 643 CA PHE A 754 -6.670 -16.590 13.544 1.00 71.54 C ATOM 644 C PHE A 754 -7.360 -17.962 13.462 1.00 0.01 C ATOM 645 O PHE A 754 -7.541 -18.632 14.473 1.00 44.00 O ATOM 646 CB PHE A 754 -7.686 -15.453 13.329 1.00 40.11 C ATOM 647 CG PHE A 754 -8.333 -15.431 11.965 1.00 63.30 C ATOM 648 CD1 PHE A 754 -7.652 -14.959 10.867 1.00 31.34 C ATOM 649 CD2 PHE A 754 -9.634 -15.880 11.793 1.00 42.12 C ATOM 650 CE1 PHE A 754 -8.237 -14.934 9.644 1.00 22.13 C ATOM 651 CE2 PHE A 754 -10.224 -15.856 10.559 1.00 62.01 C ATOM 652 CZ PHE A 754 -9.526 -15.382 9.481 1.00 12.10 C ATOM 0 H PHE A 754 -5.765 -16.838 11.678 1.00 13.11 H new ATOM 0 HA PHE A 754 -6.253 -16.499 14.547 1.00 71.54 H new ATOM 0 HB2 PHE A 754 -8.467 -15.535 14.085 1.00 40.11 H new ATOM 0 HB3 PHE A 754 -7.183 -14.500 13.492 1.00 40.11 H new ATOM 0 HD1 PHE A 754 -6.638 -14.604 10.980 1.00 31.34 H new ATOM 0 HD2 PHE A 754 -10.187 -16.253 12.642 1.00 42.12 H new ATOM 0 HE1 PHE A 754 -7.687 -14.560 8.793 1.00 22.13 H new ATOM 0 HE2 PHE A 754 -11.237 -16.210 10.436 1.00 62.01 H new ATOM 0 HZ PHE A 754 -9.987 -15.360 8.505 1.00 12.10 H new ATOM 662 N THR A 755 -7.728 -18.366 12.259 1.00 24.01 N ATOM 663 CA THR A 755 -8.454 -19.603 12.056 1.00 62.12 C ATOM 664 C THR A 755 -7.535 -20.819 12.257 1.00 62.30 C ATOM 665 O THR A 755 -7.974 -21.888 12.692 1.00 71.41 O ATOM 666 CB THR A 755 -9.122 -19.636 10.639 1.00 44.41 C ATOM 667 OG1 THR A 755 -9.886 -20.829 10.470 1.00 32.01 O ATOM 668 CG2 THR A 755 -8.081 -19.534 9.535 1.00 0.12 C ATOM 0 H THR A 755 -7.533 -17.849 11.402 1.00 24.01 H new ATOM 0 HA THR A 755 -9.247 -19.652 12.803 1.00 62.12 H new ATOM 0 HB THR A 755 -9.785 -18.774 10.570 1.00 44.41 H new ATOM 0 HG1 THR A 755 -10.297 -20.831 9.580 1.00 32.01 H new ATOM 0 HG21 THR A 755 -8.576 -19.560 8.564 1.00 0.12 H new ATOM 0 HG22 THR A 755 -7.532 -18.598 9.638 1.00 0.12 H new ATOM 0 HG23 THR A 755 -7.387 -20.371 9.611 1.00 0.12 H new ATOM 676 N ASN A 756 -6.282 -20.634 11.965 1.00 50.02 N ATOM 677 CA ASN A 756 -5.289 -21.652 12.160 1.00 52.03 C ATOM 678 C ASN A 756 -4.136 -21.089 12.935 1.00 62.21 C ATOM 679 O ASN A 756 -3.738 -19.954 12.725 1.00 32.03 O ATOM 680 CB ASN A 756 -4.813 -22.232 10.810 1.00 2.45 C ATOM 681 CG ASN A 756 -4.197 -21.212 9.920 1.00 31.14 C ATOM 682 OD1 ASN A 756 -4.878 -20.560 9.132 1.00 52.42 O ATOM 683 ND2 ASN A 756 -2.940 -21.061 10.023 1.00 44.03 N ATOM 0 H ASN A 756 -5.915 -19.763 11.581 1.00 50.02 H new ATOM 0 HA ASN A 756 -5.733 -22.469 12.728 1.00 52.03 H new ATOM 0 HB2 ASN A 756 -4.090 -23.026 10.997 1.00 2.45 H new ATOM 0 HB3 ASN A 756 -5.661 -22.687 10.298 1.00 2.45 H new ATOM 0 HD21 ASN A 756 -2.459 -20.378 9.438 1.00 44.03 H new ATOM 0 HD22 ASN A 756 -2.412 -21.623 10.690 1.00 44.03 H new ATOM 690 N ILE A 757 -3.626 -21.853 13.837 1.00 50.22 N ATOM 691 CA ILE A 757 -2.527 -21.404 14.674 1.00 24.31 C ATOM 692 C ILE A 757 -1.238 -22.093 14.251 1.00 45.02 C ATOM 693 O ILE A 757 -0.149 -21.714 14.658 1.00 34.34 O ATOM 694 CB ILE A 757 -2.808 -21.707 16.173 1.00 25.44 C ATOM 695 CG1 ILE A 757 -4.234 -21.266 16.555 1.00 10.44 C ATOM 696 CG2 ILE A 757 -1.776 -21.015 17.074 1.00 3.12 C ATOM 697 CD1 ILE A 757 -4.479 -19.776 16.418 1.00 62.11 C ATOM 0 H ILE A 757 -3.944 -22.803 14.028 1.00 50.22 H new ATOM 0 HA ILE A 757 -2.425 -20.326 14.550 1.00 24.31 H new ATOM 0 HB ILE A 757 -2.724 -22.784 16.322 1.00 25.44 H new ATOM 0 HG12 ILE A 757 -4.948 -21.800 15.928 1.00 10.44 H new ATOM 0 HG13 ILE A 757 -4.431 -21.562 17.585 1.00 10.44 H new ATOM 0 HG21 ILE A 757 -1.994 -21.242 18.118 1.00 3.12 H new ATOM 0 HG22 ILE A 757 -0.777 -21.374 16.825 1.00 3.12 H new ATOM 0 HG23 ILE A 757 -1.823 -19.937 16.920 1.00 3.12 H new ATOM 0 HD11 ILE A 757 -5.505 -19.548 16.706 1.00 62.11 H new ATOM 0 HD12 ILE A 757 -3.791 -19.233 17.066 1.00 62.11 H new ATOM 0 HD13 ILE A 757 -4.317 -19.474 15.383 1.00 62.11 H new ATOM 709 N THR A 758 -1.367 -23.082 13.441 1.00 73.11 N ATOM 710 CA THR A 758 -0.242 -23.776 12.946 1.00 31.13 C ATOM 711 C THR A 758 0.309 -23.098 11.699 1.00 30.35 C ATOM 712 O THR A 758 0.093 -23.552 10.576 1.00 60.41 O ATOM 713 CB THR A 758 -0.566 -25.244 12.657 1.00 33.54 C ATOM 714 OG1 THR A 758 -1.821 -25.334 11.952 1.00 74.01 O ATOM 715 CG2 THR A 758 -0.651 -26.041 13.950 1.00 12.53 C ATOM 0 H THR A 758 -2.264 -23.432 13.103 1.00 73.11 H new ATOM 0 HA THR A 758 0.522 -23.750 13.723 1.00 31.13 H new ATOM 0 HB THR A 758 0.232 -25.660 12.043 1.00 33.54 H new ATOM 0 HG1 THR A 758 -1.791 -24.763 11.156 1.00 74.01 H new ATOM 0 HG21 THR A 758 -0.882 -27.081 13.722 1.00 12.53 H new ATOM 0 HG22 THR A 758 0.304 -25.988 14.474 1.00 12.53 H new ATOM 0 HG23 THR A 758 -1.435 -25.626 14.583 1.00 12.53 H new ATOM 723 N TYR A 759 0.965 -21.997 11.902 1.00 4.15 N ATOM 724 CA TYR A 759 1.579 -21.268 10.815 1.00 41.50 C ATOM 725 C TYR A 759 2.956 -21.858 10.457 1.00 32.22 C ATOM 726 O TYR A 759 3.092 -22.545 9.449 1.00 43.54 O ATOM 727 CB TYR A 759 1.632 -19.723 11.098 1.00 24.10 C ATOM 728 CG TYR A 759 1.921 -19.331 12.553 1.00 62.31 C ATOM 729 CD1 TYR A 759 0.883 -19.167 13.475 1.00 23.53 C ATOM 730 CD2 TYR A 759 3.215 -19.126 12.993 1.00 24.40 C ATOM 731 CE1 TYR A 759 1.144 -18.810 14.782 1.00 23.15 C ATOM 732 CE2 TYR A 759 3.478 -18.773 14.295 1.00 3.03 C ATOM 733 CZ TYR A 759 2.441 -18.616 15.186 1.00 72.00 C ATOM 734 OH TYR A 759 2.709 -18.264 16.491 1.00 65.54 O ATOM 0 H TYR A 759 1.094 -21.572 12.820 1.00 4.15 H new ATOM 0 HA TYR A 759 0.947 -21.388 9.935 1.00 41.50 H new ATOM 0 HB2 TYR A 759 2.398 -19.280 10.461 1.00 24.10 H new ATOM 0 HB3 TYR A 759 0.679 -19.284 10.803 1.00 24.10 H new ATOM 0 HD1 TYR A 759 -0.138 -19.322 13.160 1.00 23.53 H new ATOM 0 HD2 TYR A 759 4.035 -19.245 12.301 1.00 24.40 H new ATOM 0 HE1 TYR A 759 0.332 -18.684 15.483 1.00 23.15 H new ATOM 0 HE2 TYR A 759 4.497 -18.619 14.618 1.00 3.03 H new ATOM 0 HH TYR A 759 3.677 -18.167 16.611 1.00 65.54 H new ATOM 744 N ARG A 760 3.950 -21.602 11.282 1.00 34.43 N ATOM 745 CA ARG A 760 5.246 -22.207 11.096 1.00 25.43 C ATOM 746 C ARG A 760 5.618 -23.067 12.284 1.00 33.41 C ATOM 747 O ARG A 760 6.466 -23.951 12.189 1.00 4.43 O ATOM 748 CB ARG A 760 6.297 -21.164 10.835 1.00 22.04 C ATOM 749 CG ARG A 760 6.633 -20.281 11.989 1.00 32.02 C ATOM 750 CD ARG A 760 7.590 -19.238 11.548 1.00 33.40 C ATOM 751 NE ARG A 760 8.094 -18.415 12.668 1.00 71.10 N ATOM 752 CZ ARG A 760 9.331 -17.846 12.715 1.00 45.50 C ATOM 753 NH1 ARG A 760 10.168 -17.970 11.692 1.00 61.34 N ATOM 754 NH2 ARG A 760 9.710 -17.158 13.786 1.00 21.33 N ATOM 0 H ARG A 760 3.882 -20.979 12.087 1.00 34.43 H new ATOM 0 HA ARG A 760 5.191 -22.852 10.219 1.00 25.43 H new ATOM 0 HB2 ARG A 760 7.208 -21.666 10.508 1.00 22.04 H new ATOM 0 HB3 ARG A 760 5.964 -20.538 10.007 1.00 22.04 H new ATOM 0 HG2 ARG A 760 5.728 -19.817 12.382 1.00 32.02 H new ATOM 0 HG3 ARG A 760 7.067 -20.870 12.798 1.00 32.02 H new ATOM 0 HD2 ARG A 760 8.432 -19.713 11.044 1.00 33.40 H new ATOM 0 HD3 ARG A 760 7.105 -18.591 10.817 1.00 33.40 H new ATOM 0 HE ARG A 760 7.472 -18.262 13.462 1.00 71.10 H new ATOM 0 HH11 ARG A 760 9.887 -18.494 10.863 1.00 61.34 H new ATOM 0 HH12 ARG A 760 11.092 -17.541 11.735 1.00 61.34 H new ATOM 0 HH21 ARG A 760 9.074 -17.054 14.577 1.00 21.33 H new ATOM 0 HH22 ARG A 760 10.637 -16.733 13.818 1.00 21.33 H new ATOM 768 N GLY A 761 4.966 -22.819 13.395 1.00 72.12 N ATOM 769 CA GLY A 761 5.224 -23.577 14.588 1.00 35.45 C ATOM 770 C GLY A 761 6.306 -22.971 15.433 1.00 40.10 C ATOM 771 O GLY A 761 7.441 -23.447 15.436 1.00 12.41 O ATOM 0 H GLY A 761 4.253 -22.097 13.494 1.00 72.12 H new ATOM 0 HA2 GLY A 761 4.308 -23.649 15.174 1.00 35.45 H new ATOM 0 HA3 GLY A 761 5.508 -24.593 14.314 1.00 35.45 H new ATOM 775 N THR A 762 5.969 -21.929 16.142 1.00 41.34 N ATOM 776 CA THR A 762 6.899 -21.261 17.017 1.00 12.33 C ATOM 777 C THR A 762 6.297 -21.068 18.402 1.00 63.42 C ATOM 778 O THR A 762 6.676 -21.812 19.328 1.00 22.44 O ATOM 779 CB THR A 762 7.339 -19.900 16.439 1.00 1.20 C ATOM 780 OG1 THR A 762 6.201 -19.217 15.872 1.00 33.14 O ATOM 781 CG2 THR A 762 8.392 -20.091 15.377 1.00 53.21 C ATOM 782 OXT THR A 762 5.418 -20.194 18.553 1.00 37.22 O ATOM 0 H THR A 762 5.037 -21.515 16.131 1.00 41.34 H new ATOM 0 HA THR A 762 7.780 -21.897 17.101 1.00 12.33 H new ATOM 0 HB THR A 762 7.759 -19.301 17.247 1.00 1.20 H new ATOM 0 HG1 THR A 762 5.459 -19.231 16.512 1.00 33.14 H new ATOM 0 HG21 THR A 762 8.690 -19.120 14.981 1.00 53.21 H new ATOM 0 HG22 THR A 762 9.260 -20.588 15.810 1.00 53.21 H new ATOM 0 HG23 THR A 762 7.989 -20.703 14.571 1.00 53.21 H new TER 790 THR A 762