USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 722 HIS : no HD1:sc= -0.062 X(o=-0.062,f=0) USER MOD Single : A 725 LYS NZ :NH3+ 158:sc= 0.118 (180deg=-0.272) USER MOD Single : A 729 LYS NZ :NH3+ -174:sc= 2.32 (180deg=2.17) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot 180:sc= 0 USER MOD Single : A 743 ASN : amide:sc= 0.341 K(o=0.34,f=-0.38) USER MOD Single : A 744 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.4!) USER MOD Single : A 748 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.06) USER MOD Single : A 751 THR OG1 : rot 171:sc= 0.59 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 THR OG1 : rot -16:sc= 0.448 USER MOD Single : A 756 ASN : amide:sc= 0.557 K(o=0.56,f=-5.7!) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 716 3.731 -6.867 3.165 1.00 13.00 N ATOM 2 CA LYS A 716 4.961 -6.392 2.496 1.00 3.51 C ATOM 3 C LYS A 716 5.424 -7.311 1.374 1.00 31.12 C ATOM 4 O LYS A 716 6.432 -7.050 0.735 1.00 62.44 O ATOM 5 CB LYS A 716 6.110 -6.149 3.518 1.00 3.45 C ATOM 6 CG LYS A 716 6.196 -7.159 4.687 1.00 33.12 C ATOM 7 CD LYS A 716 6.528 -8.594 4.237 1.00 52.15 C ATOM 8 CE LYS A 716 7.867 -8.680 3.535 1.00 42.44 C ATOM 9 NZ LYS A 716 8.362 -10.063 3.473 1.00 31.34 N ATOM 0 HA LYS A 716 4.700 -5.439 2.035 1.00 3.51 H new ATOM 0 HB2 LYS A 716 7.058 -6.163 2.980 1.00 3.45 H new ATOM 0 HB3 LYS A 716 5.995 -5.149 3.935 1.00 3.45 H new ATOM 0 HG2 LYS A 716 6.957 -6.823 5.392 1.00 33.12 H new ATOM 0 HG3 LYS A 716 5.246 -7.165 5.222 1.00 33.12 H new ATOM 0 HD2 LYS A 716 6.532 -9.253 5.105 1.00 52.15 H new ATOM 0 HD3 LYS A 716 5.746 -8.953 3.568 1.00 52.15 H new ATOM 0 HE2 LYS A 716 7.774 -8.281 2.525 1.00 42.44 H new ATOM 0 HE3 LYS A 716 8.593 -8.057 4.058 1.00 42.44 H new ATOM 0 HZ1 LYS A 716 9.280 -10.081 2.986 1.00 31.34 H new ATOM 0 HZ2 LYS A 716 8.474 -10.435 4.438 1.00 31.34 H new ATOM 0 HZ3 LYS A 716 7.682 -10.652 2.952 1.00 31.34 H new ATOM 23 N LEU A 717 4.693 -8.362 1.126 1.00 55.21 N ATOM 24 CA LEU A 717 5.100 -9.329 0.137 1.00 1.31 C ATOM 25 C LEU A 717 4.757 -8.874 -1.276 1.00 24.44 C ATOM 26 O LEU A 717 5.569 -8.992 -2.170 1.00 61.53 O ATOM 27 CB LEU A 717 4.506 -10.697 0.429 1.00 53.30 C ATOM 28 CG LEU A 717 4.849 -11.816 -0.573 1.00 4.44 C ATOM 29 CD1 LEU A 717 6.342 -12.111 -0.571 1.00 55.44 C ATOM 30 CD2 LEU A 717 4.056 -13.066 -0.267 1.00 44.23 C ATOM 0 H LEU A 717 3.812 -8.574 1.594 1.00 55.21 H new ATOM 0 HA LEU A 717 6.185 -9.413 0.197 1.00 1.31 H new ATOM 0 HB2 LEU A 717 4.838 -11.010 1.419 1.00 53.30 H new ATOM 0 HB3 LEU A 717 3.421 -10.597 0.473 1.00 53.30 H new ATOM 0 HG LEU A 717 4.576 -11.472 -1.571 1.00 4.44 H new ATOM 0 HD11 LEU A 717 6.557 -12.904 -1.287 1.00 55.44 H new ATOM 0 HD12 LEU A 717 6.891 -11.212 -0.850 1.00 55.44 H new ATOM 0 HD13 LEU A 717 6.649 -12.428 0.426 1.00 55.44 H new ATOM 0 HD21 LEU A 717 4.312 -13.845 -0.986 1.00 44.23 H new ATOM 0 HD22 LEU A 717 4.293 -13.410 0.740 1.00 44.23 H new ATOM 0 HD23 LEU A 717 2.990 -12.847 -0.335 1.00 44.23 H new ATOM 42 N LEU A 718 3.564 -8.334 -1.458 1.00 22.32 N ATOM 43 CA LEU A 718 3.118 -7.892 -2.794 1.00 12.30 C ATOM 44 C LEU A 718 4.024 -6.813 -3.341 1.00 34.42 C ATOM 45 O LEU A 718 4.321 -6.778 -4.535 1.00 61.04 O ATOM 46 CB LEU A 718 1.647 -7.398 -2.777 1.00 62.03 C ATOM 47 CG LEU A 718 0.548 -8.482 -2.640 1.00 74.00 C ATOM 48 CD1 LEU A 718 0.706 -9.556 -3.702 1.00 50.45 C ATOM 49 CD2 LEU A 718 0.536 -9.087 -1.248 1.00 75.14 C ATOM 0 H LEU A 718 2.883 -8.186 -0.713 1.00 22.32 H new ATOM 0 HA LEU A 718 3.173 -8.760 -3.451 1.00 12.30 H new ATOM 0 HB2 LEU A 718 1.534 -6.694 -1.953 1.00 62.03 H new ATOM 0 HB3 LEU A 718 1.464 -6.843 -3.697 1.00 62.03 H new ATOM 0 HG LEU A 718 -0.415 -7.996 -2.795 1.00 74.00 H new ATOM 0 HD11 LEU A 718 -0.078 -10.304 -3.583 1.00 50.45 H new ATOM 0 HD12 LEU A 718 0.629 -9.104 -4.691 1.00 50.45 H new ATOM 0 HD13 LEU A 718 1.681 -10.032 -3.596 1.00 50.45 H new ATOM 0 HD21 LEU A 718 -0.247 -9.843 -1.187 1.00 75.14 H new ATOM 0 HD22 LEU A 718 1.503 -9.547 -1.043 1.00 75.14 H new ATOM 0 HD23 LEU A 718 0.343 -8.305 -0.513 1.00 75.14 H new ATOM 61 N ILE A 719 4.469 -5.953 -2.475 1.00 31.53 N ATOM 62 CA ILE A 719 5.350 -4.881 -2.851 1.00 34.14 C ATOM 63 C ILE A 719 6.793 -5.386 -3.027 1.00 53.22 C ATOM 64 O ILE A 719 7.500 -4.975 -3.959 1.00 4.10 O ATOM 65 CB ILE A 719 5.308 -3.735 -1.807 1.00 15.50 C ATOM 66 CG1 ILE A 719 3.876 -3.171 -1.697 1.00 20.31 C ATOM 67 CG2 ILE A 719 6.299 -2.627 -2.163 1.00 11.21 C ATOM 68 CD1 ILE A 719 3.304 -2.667 -3.014 1.00 22.55 C ATOM 0 H ILE A 719 4.232 -5.972 -1.483 1.00 31.53 H new ATOM 0 HA ILE A 719 5.003 -4.491 -3.808 1.00 34.14 H new ATOM 0 HB ILE A 719 5.601 -4.142 -0.839 1.00 15.50 H new ATOM 0 HG12 ILE A 719 3.221 -3.947 -1.302 1.00 20.31 H new ATOM 0 HG13 ILE A 719 3.873 -2.354 -0.976 1.00 20.31 H new ATOM 0 HG21 ILE A 719 6.247 -1.838 -1.413 1.00 11.21 H new ATOM 0 HG22 ILE A 719 7.309 -3.037 -2.189 1.00 11.21 H new ATOM 0 HG23 ILE A 719 6.049 -2.216 -3.141 1.00 11.21 H new ATOM 0 HD11 ILE A 719 2.295 -2.287 -2.851 1.00 22.55 H new ATOM 0 HD12 ILE A 719 3.935 -1.867 -3.402 1.00 22.55 H new ATOM 0 HD13 ILE A 719 3.272 -3.485 -3.734 1.00 22.55 H new ATOM 80 N THR A 720 7.217 -6.305 -2.152 1.00 44.25 N ATOM 81 CA THR A 720 8.577 -6.822 -2.204 1.00 55.35 C ATOM 82 C THR A 720 8.807 -7.638 -3.485 1.00 30.23 C ATOM 83 O THR A 720 9.917 -7.860 -3.875 1.00 14.34 O ATOM 84 CB THR A 720 8.947 -7.691 -0.935 1.00 41.55 C ATOM 85 OG1 THR A 720 10.367 -7.698 -0.743 1.00 64.00 O ATOM 86 CG2 THR A 720 8.484 -9.130 -1.112 1.00 32.20 C ATOM 0 H THR A 720 6.640 -6.699 -1.409 1.00 44.25 H new ATOM 0 HA THR A 720 9.236 -5.954 -2.209 1.00 55.35 H new ATOM 0 HB THR A 720 8.449 -7.250 -0.072 1.00 41.55 H new ATOM 0 HG1 THR A 720 10.588 -8.237 0.045 1.00 64.00 H new ATOM 0 HG21 THR A 720 8.749 -9.709 -0.227 1.00 32.20 H new ATOM 0 HG22 THR A 720 7.403 -9.150 -1.248 1.00 32.20 H new ATOM 0 HG23 THR A 720 8.968 -9.563 -1.987 1.00 32.20 H new ATOM 94 N ILE A 721 7.715 -8.061 -4.133 1.00 50.14 N ATOM 95 CA ILE A 721 7.801 -8.802 -5.393 1.00 40.51 C ATOM 96 C ILE A 721 8.571 -7.988 -6.455 1.00 23.12 C ATOM 97 O ILE A 721 9.248 -8.549 -7.318 1.00 64.12 O ATOM 98 CB ILE A 721 6.382 -9.159 -5.940 1.00 61.55 C ATOM 99 CG1 ILE A 721 5.654 -10.095 -4.975 1.00 71.52 C ATOM 100 CG2 ILE A 721 6.475 -9.793 -7.328 1.00 52.33 C ATOM 101 CD1 ILE A 721 4.228 -10.416 -5.387 1.00 43.30 C ATOM 0 H ILE A 721 6.763 -7.902 -3.804 1.00 50.14 H new ATOM 0 HA ILE A 721 8.340 -9.727 -5.189 1.00 40.51 H new ATOM 0 HB ILE A 721 5.811 -8.234 -6.025 1.00 61.55 H new ATOM 0 HG12 ILE A 721 6.216 -11.025 -4.893 1.00 71.52 H new ATOM 0 HG13 ILE A 721 5.642 -9.641 -3.984 1.00 71.52 H new ATOM 0 HG21 ILE A 721 5.474 -10.032 -7.687 1.00 52.33 H new ATOM 0 HG22 ILE A 721 6.949 -9.094 -8.016 1.00 52.33 H new ATOM 0 HG23 ILE A 721 7.068 -10.706 -7.272 1.00 52.33 H new ATOM 0 HD11 ILE A 721 3.779 -11.085 -4.653 1.00 43.30 H new ATOM 0 HD12 ILE A 721 3.649 -9.494 -5.441 1.00 43.30 H new ATOM 0 HD13 ILE A 721 4.232 -10.900 -6.364 1.00 43.30 H new ATOM 113 N HIS A 722 8.485 -6.682 -6.359 1.00 4.24 N ATOM 114 CA HIS A 722 9.141 -5.812 -7.305 1.00 31.22 C ATOM 115 C HIS A 722 10.639 -5.732 -7.015 1.00 33.02 C ATOM 116 O HIS A 722 11.445 -5.482 -7.906 1.00 12.24 O ATOM 117 CB HIS A 722 8.529 -4.424 -7.252 1.00 40.31 C ATOM 118 CG HIS A 722 8.666 -3.681 -8.521 1.00 3.43 C ATOM 119 ND1 HIS A 722 9.283 -2.459 -8.627 1.00 72.30 N ATOM 120 CD2 HIS A 722 8.244 -3.991 -9.745 1.00 50.12 C ATOM 121 CE1 HIS A 722 9.226 -2.049 -9.873 1.00 41.51 C ATOM 122 NE2 HIS A 722 8.598 -2.966 -10.575 1.00 64.21 N ATOM 0 H HIS A 722 7.963 -6.196 -5.630 1.00 4.24 H new ATOM 0 HA HIS A 722 9.002 -6.225 -8.304 1.00 31.22 H new ATOM 0 HB2 HIS A 722 7.472 -4.509 -7.000 1.00 40.31 H new ATOM 0 HB3 HIS A 722 9.003 -3.855 -6.452 1.00 40.31 H new ATOM 0 HD2 HIS A 722 7.717 -4.890 -10.030 1.00 50.12 H new ATOM 0 HE1 HIS A 722 9.625 -1.121 -10.254 1.00 41.51 H new ATOM 0 HE2 HIS A 722 8.406 -2.920 -11.576 1.00 64.21 H new ATOM 131 N ASP A 723 10.988 -5.952 -5.786 1.00 31.44 N ATOM 132 CA ASP A 723 12.382 -5.869 -5.343 1.00 54.30 C ATOM 133 C ASP A 723 12.959 -7.237 -5.027 1.00 54.33 C ATOM 134 O ASP A 723 14.087 -7.338 -4.589 1.00 70.32 O ATOM 135 CB ASP A 723 12.518 -4.956 -4.111 1.00 1.41 C ATOM 136 CG ASP A 723 12.340 -3.494 -4.430 1.00 41.11 C ATOM 137 OD1 ASP A 723 13.311 -2.855 -4.875 1.00 62.03 O ATOM 138 OD2 ASP A 723 11.232 -2.962 -4.224 1.00 63.35 O ATOM 0 H ASP A 723 10.329 -6.196 -5.046 1.00 31.44 H new ATOM 0 HA ASP A 723 12.948 -5.441 -6.171 1.00 54.30 H new ATOM 0 HB2 ASP A 723 11.779 -5.251 -3.366 1.00 1.41 H new ATOM 0 HB3 ASP A 723 13.500 -5.106 -3.663 1.00 1.41 H new ATOM 143 N ARG A 724 12.171 -8.280 -5.236 1.00 53.53 N ATOM 144 CA ARG A 724 12.561 -9.638 -4.836 1.00 51.12 C ATOM 145 C ARG A 724 13.854 -10.105 -5.479 1.00 35.32 C ATOM 146 O ARG A 724 14.714 -10.612 -4.808 1.00 24.33 O ATOM 147 CB ARG A 724 11.424 -10.673 -5.056 1.00 2.03 C ATOM 148 CG ARG A 724 11.041 -10.903 -6.502 1.00 73.12 C ATOM 149 CD ARG A 724 10.049 -12.032 -6.631 1.00 51.23 C ATOM 150 NE ARG A 724 9.629 -12.246 -8.022 1.00 5.22 N ATOM 151 CZ ARG A 724 9.681 -13.425 -8.654 1.00 30.05 C ATOM 152 NH1 ARG A 724 10.238 -14.481 -8.066 1.00 35.12 N ATOM 153 NH2 ARG A 724 9.206 -13.542 -9.882 1.00 2.12 N ATOM 0 H ARG A 724 11.255 -8.220 -5.680 1.00 53.53 H new ATOM 0 HA ARG A 724 12.747 -9.575 -3.764 1.00 51.12 H new ATOM 0 HB2 ARG A 724 11.730 -11.624 -4.621 1.00 2.03 H new ATOM 0 HB3 ARG A 724 10.541 -10.342 -4.510 1.00 2.03 H new ATOM 0 HG2 ARG A 724 10.613 -9.990 -6.917 1.00 73.12 H new ATOM 0 HG3 ARG A 724 11.933 -11.131 -7.085 1.00 73.12 H new ATOM 0 HD2 ARG A 724 10.492 -12.949 -6.242 1.00 51.23 H new ATOM 0 HD3 ARG A 724 9.174 -11.816 -6.018 1.00 51.23 H new ATOM 0 HE ARG A 724 9.274 -11.443 -8.541 1.00 5.22 H new ATOM 0 HH11 ARG A 724 10.629 -14.395 -7.128 1.00 35.12 H new ATOM 0 HH12 ARG A 724 10.274 -15.376 -8.554 1.00 35.12 H new ATOM 0 HH21 ARG A 724 8.799 -12.733 -10.350 1.00 2.12 H new ATOM 0 HH22 ARG A 724 9.247 -14.442 -10.361 1.00 2.12 H new ATOM 167 N LYS A 725 13.993 -9.903 -6.761 1.00 51.32 N ATOM 168 CA LYS A 725 15.149 -10.416 -7.467 1.00 52.10 C ATOM 169 C LYS A 725 16.428 -9.695 -7.064 1.00 71.31 C ATOM 170 O LYS A 725 17.519 -10.294 -7.046 1.00 70.41 O ATOM 171 CB LYS A 725 14.940 -10.357 -8.971 1.00 1.40 C ATOM 172 CG LYS A 725 13.780 -11.233 -9.502 1.00 62.12 C ATOM 173 CD LYS A 725 14.039 -12.744 -9.314 1.00 21.45 C ATOM 174 CE LYS A 725 13.755 -13.201 -7.885 1.00 2.24 C ATOM 175 NZ LYS A 725 13.960 -14.650 -7.716 1.00 0.13 N ATOM 0 H LYS A 725 13.328 -9.391 -7.341 1.00 51.32 H new ATOM 0 HA LYS A 725 15.264 -11.461 -7.180 1.00 52.10 H new ATOM 0 HB2 LYS A 725 14.755 -9.322 -9.257 1.00 1.40 H new ATOM 0 HB3 LYS A 725 15.863 -10.664 -9.464 1.00 1.40 H new ATOM 0 HG2 LYS A 725 12.859 -10.960 -8.987 1.00 62.12 H new ATOM 0 HG3 LYS A 725 13.628 -11.024 -10.561 1.00 62.12 H new ATOM 0 HD2 LYS A 725 13.413 -13.308 -10.006 1.00 21.45 H new ATOM 0 HD3 LYS A 725 15.075 -12.968 -9.567 1.00 21.45 H new ATOM 0 HE2 LYS A 725 14.404 -12.661 -7.196 1.00 2.24 H new ATOM 0 HE3 LYS A 725 12.728 -12.947 -7.621 1.00 2.24 H new ATOM 0 HZ1 LYS A 725 14.126 -14.862 -6.711 1.00 0.13 H new ATOM 0 HZ2 LYS A 725 13.115 -15.161 -8.043 1.00 0.13 H new ATOM 0 HZ3 LYS A 725 14.784 -14.951 -8.274 1.00 0.13 H new ATOM 189 N GLU A 726 16.309 -8.440 -6.733 1.00 51.35 N ATOM 190 CA GLU A 726 17.452 -7.667 -6.328 1.00 5.22 C ATOM 191 C GLU A 726 17.568 -7.608 -4.827 1.00 51.41 C ATOM 192 O GLU A 726 18.391 -8.290 -4.224 1.00 71.51 O ATOM 193 CB GLU A 726 17.362 -6.243 -6.864 1.00 53.31 C ATOM 194 CG GLU A 726 17.184 -6.143 -8.336 1.00 24.24 C ATOM 195 CD GLU A 726 18.278 -6.840 -9.104 1.00 53.34 C ATOM 196 OE1 GLU A 726 19.425 -6.338 -9.109 1.00 43.24 O ATOM 197 OE2 GLU A 726 18.006 -7.887 -9.713 1.00 50.55 O ATOM 0 H GLU A 726 15.427 -7.927 -6.735 1.00 51.35 H new ATOM 0 HA GLU A 726 18.332 -8.161 -6.739 1.00 5.22 H new ATOM 0 HB2 GLU A 726 16.529 -5.738 -6.376 1.00 53.31 H new ATOM 0 HB3 GLU A 726 18.268 -5.706 -6.584 1.00 53.31 H new ATOM 0 HG2 GLU A 726 16.221 -6.574 -8.611 1.00 24.24 H new ATOM 0 HG3 GLU A 726 17.157 -5.092 -8.624 1.00 24.24 H new ATOM 204 N PHE A 727 16.734 -6.817 -4.243 1.00 40.43 N ATOM 205 CA PHE A 727 16.842 -6.463 -2.866 1.00 51.22 C ATOM 206 C PHE A 727 16.337 -7.555 -1.926 1.00 70.52 C ATOM 207 O PHE A 727 17.026 -7.935 -0.987 1.00 55.31 O ATOM 208 CB PHE A 727 16.121 -5.156 -2.614 1.00 24.11 C ATOM 209 CG PHE A 727 16.098 -4.751 -1.169 1.00 21.42 C ATOM 210 CD1 PHE A 727 17.275 -4.624 -0.452 1.00 73.03 C ATOM 211 CD2 PHE A 727 14.903 -4.514 -0.527 1.00 55.42 C ATOM 212 CE1 PHE A 727 17.255 -4.264 0.875 1.00 62.44 C ATOM 213 CE2 PHE A 727 14.876 -4.154 0.799 1.00 42.13 C ATOM 214 CZ PHE A 727 16.052 -4.028 1.501 1.00 0.31 C ATOM 0 H PHE A 727 15.940 -6.388 -4.719 1.00 40.43 H new ATOM 0 HA PHE A 727 17.903 -6.343 -2.645 1.00 51.22 H new ATOM 0 HB2 PHE A 727 16.600 -4.368 -3.196 1.00 24.11 H new ATOM 0 HB3 PHE A 727 15.096 -5.241 -2.975 1.00 24.11 H new ATOM 0 HD1 PHE A 727 18.220 -4.810 -0.940 1.00 73.03 H new ATOM 0 HD2 PHE A 727 13.976 -4.612 -1.072 1.00 55.42 H new ATOM 0 HE1 PHE A 727 18.180 -4.167 1.424 1.00 62.44 H new ATOM 0 HE2 PHE A 727 13.932 -3.970 1.290 1.00 42.13 H new ATOM 0 HZ PHE A 727 16.032 -3.744 2.543 1.00 0.31 H new ATOM 224 N ALA A 728 15.148 -8.052 -2.176 1.00 65.12 N ATOM 225 CA ALA A 728 14.544 -9.042 -1.284 1.00 35.53 C ATOM 226 C ALA A 728 15.353 -10.312 -1.252 1.00 25.35 C ATOM 227 O ALA A 728 15.427 -10.976 -0.241 1.00 0.03 O ATOM 228 CB ALA A 728 13.119 -9.330 -1.667 1.00 42.12 C ATOM 0 H ALA A 728 14.575 -7.796 -2.980 1.00 65.12 H new ATOM 0 HA ALA A 728 14.541 -8.616 -0.281 1.00 35.53 H new ATOM 0 HB1 ALA A 728 12.701 -10.069 -0.984 1.00 42.12 H new ATOM 0 HB2 ALA A 728 12.534 -8.412 -1.610 1.00 42.12 H new ATOM 0 HB3 ALA A 728 13.087 -9.718 -2.685 1.00 42.12 H new ATOM 234 N LYS A 729 15.977 -10.632 -2.369 1.00 3.35 N ATOM 235 CA LYS A 729 16.810 -11.811 -2.467 1.00 63.43 C ATOM 236 C LYS A 729 17.979 -11.727 -1.477 1.00 32.24 C ATOM 237 O LYS A 729 18.527 -12.748 -1.053 1.00 61.52 O ATOM 238 CB LYS A 729 17.330 -11.988 -3.910 1.00 60.30 C ATOM 239 CG LYS A 729 18.009 -13.342 -4.212 1.00 33.11 C ATOM 240 CD LYS A 729 16.986 -14.462 -4.538 1.00 52.14 C ATOM 241 CE LYS A 729 16.174 -14.874 -3.326 1.00 62.41 C ATOM 242 NZ LYS A 729 15.253 -15.998 -3.618 1.00 1.30 N ATOM 0 H LYS A 729 15.921 -10.085 -3.228 1.00 3.35 H new ATOM 0 HA LYS A 729 16.207 -12.682 -2.211 1.00 63.43 H new ATOM 0 HB2 LYS A 729 16.494 -11.860 -4.597 1.00 60.30 H new ATOM 0 HB3 LYS A 729 18.041 -11.190 -4.121 1.00 60.30 H new ATOM 0 HG2 LYS A 729 18.692 -13.222 -5.053 1.00 33.11 H new ATOM 0 HG3 LYS A 729 18.610 -13.642 -3.354 1.00 33.11 H new ATOM 0 HD2 LYS A 729 16.313 -14.118 -5.323 1.00 52.14 H new ATOM 0 HD3 LYS A 729 17.515 -15.331 -4.930 1.00 52.14 H new ATOM 0 HE2 LYS A 729 16.849 -15.161 -2.520 1.00 62.41 H new ATOM 0 HE3 LYS A 729 15.599 -14.019 -2.970 1.00 62.41 H new ATOM 0 HZ1 LYS A 729 14.649 -16.176 -2.790 1.00 1.30 H new ATOM 0 HZ2 LYS A 729 14.657 -15.755 -4.435 1.00 1.30 H new ATOM 0 HZ3 LYS A 729 15.805 -16.852 -3.834 1.00 1.30 H new ATOM 256 N PHE A 730 18.341 -10.512 -1.109 1.00 52.31 N ATOM 257 CA PHE A 730 19.368 -10.289 -0.131 1.00 61.04 C ATOM 258 C PHE A 730 18.863 -10.622 1.235 1.00 64.41 C ATOM 259 O PHE A 730 19.409 -11.489 1.916 1.00 74.34 O ATOM 260 CB PHE A 730 19.819 -8.844 -0.160 1.00 35.24 C ATOM 261 CG PHE A 730 20.567 -8.463 -1.391 1.00 21.12 C ATOM 262 CD1 PHE A 730 21.439 -9.351 -1.984 1.00 2.52 C ATOM 263 CD2 PHE A 730 20.402 -7.213 -1.955 1.00 1.30 C ATOM 264 CE1 PHE A 730 22.137 -9.002 -3.120 1.00 42.20 C ATOM 265 CE2 PHE A 730 21.095 -6.855 -3.091 1.00 5.21 C ATOM 266 CZ PHE A 730 21.963 -7.750 -3.675 1.00 64.12 C ATOM 0 H PHE A 730 17.927 -9.659 -1.484 1.00 52.31 H new ATOM 0 HA PHE A 730 20.214 -10.934 -0.370 1.00 61.04 H new ATOM 0 HB2 PHE A 730 18.945 -8.200 -0.066 1.00 35.24 H new ATOM 0 HB3 PHE A 730 20.450 -8.654 0.708 1.00 35.24 H new ATOM 0 HD1 PHE A 730 21.577 -10.332 -1.553 1.00 2.52 H new ATOM 0 HD2 PHE A 730 19.722 -6.508 -1.500 1.00 1.30 H new ATOM 0 HE1 PHE A 730 22.818 -9.706 -3.575 1.00 42.20 H new ATOM 0 HE2 PHE A 730 20.958 -5.874 -3.522 1.00 5.21 H new ATOM 0 HZ PHE A 730 22.507 -7.473 -4.566 1.00 64.12 H new ATOM 276 N GLU A 731 17.792 -9.945 1.634 1.00 55.45 N ATOM 277 CA GLU A 731 17.216 -10.119 2.952 1.00 65.02 C ATOM 278 C GLU A 731 16.760 -11.556 3.169 1.00 13.03 C ATOM 279 O GLU A 731 16.763 -12.040 4.285 1.00 43.44 O ATOM 280 CB GLU A 731 16.046 -9.141 3.176 1.00 44.11 C ATOM 281 CG GLU A 731 14.862 -9.372 2.258 1.00 14.52 C ATOM 282 CD GLU A 731 13.684 -8.465 2.555 1.00 42.13 C ATOM 283 OE1 GLU A 731 12.833 -8.840 3.406 1.00 52.32 O ATOM 284 OE2 GLU A 731 13.590 -7.386 1.949 1.00 4.13 O ATOM 0 H GLU A 731 17.304 -9.264 1.052 1.00 55.45 H new ATOM 0 HA GLU A 731 17.993 -9.897 3.683 1.00 65.02 H new ATOM 0 HB2 GLU A 731 15.711 -9.222 4.210 1.00 44.11 H new ATOM 0 HB3 GLU A 731 16.407 -8.122 3.037 1.00 44.11 H new ATOM 0 HG2 GLU A 731 15.177 -9.220 1.226 1.00 14.52 H new ATOM 0 HG3 GLU A 731 14.542 -10.410 2.344 1.00 14.52 H new ATOM 291 N GLU A 732 16.390 -12.237 2.074 1.00 54.21 N ATOM 292 CA GLU A 732 15.889 -13.617 2.144 1.00 70.54 C ATOM 293 C GLU A 732 16.864 -14.555 2.833 1.00 71.01 C ATOM 294 O GLU A 732 16.451 -15.479 3.506 1.00 64.41 O ATOM 295 CB GLU A 732 15.507 -14.156 0.761 1.00 42.22 C ATOM 296 CG GLU A 732 14.124 -13.731 0.295 1.00 0.32 C ATOM 297 CD GLU A 732 13.770 -14.279 -1.070 1.00 14.44 C ATOM 298 OE1 GLU A 732 13.962 -15.497 -1.296 1.00 41.12 O ATOM 299 OE2 GLU A 732 13.308 -13.495 -1.933 1.00 23.41 O ATOM 0 H GLU A 732 16.429 -11.854 1.129 1.00 54.21 H new ATOM 0 HA GLU A 732 14.987 -13.579 2.754 1.00 70.54 H new ATOM 0 HB2 GLU A 732 16.245 -13.818 0.033 1.00 42.22 H new ATOM 0 HB3 GLU A 732 15.555 -15.245 0.780 1.00 42.22 H new ATOM 0 HG2 GLU A 732 13.382 -14.067 1.020 1.00 0.32 H new ATOM 0 HG3 GLU A 732 14.073 -12.643 0.269 1.00 0.32 H new ATOM 306 N GLU A 733 18.149 -14.308 2.674 1.00 21.44 N ATOM 307 CA GLU A 733 19.154 -15.153 3.296 1.00 72.43 C ATOM 308 C GLU A 733 19.040 -15.091 4.814 1.00 30.40 C ATOM 309 O GLU A 733 18.933 -16.109 5.477 1.00 3.04 O ATOM 310 CB GLU A 733 20.550 -14.717 2.878 1.00 15.34 C ATOM 311 CG GLU A 733 20.816 -14.803 1.401 1.00 2.04 C ATOM 312 CD GLU A 733 22.235 -14.397 1.049 1.00 72.34 C ATOM 313 OE1 GLU A 733 23.177 -15.192 1.319 1.00 42.45 O ATOM 314 OE2 GLU A 733 22.426 -13.286 0.501 1.00 60.23 O ATOM 0 H GLU A 733 18.522 -13.535 2.123 1.00 21.44 H new ATOM 0 HA GLU A 733 18.984 -16.178 2.965 1.00 72.43 H new ATOM 0 HB2 GLU A 733 20.708 -13.689 3.203 1.00 15.34 H new ATOM 0 HB3 GLU A 733 21.281 -15.333 3.402 1.00 15.34 H new ATOM 0 HG2 GLU A 733 20.637 -15.823 1.060 1.00 2.04 H new ATOM 0 HG3 GLU A 733 20.114 -14.161 0.869 1.00 2.04 H new ATOM 321 N ARG A 734 19.044 -13.897 5.329 1.00 23.44 N ATOM 322 CA ARG A 734 18.967 -13.645 6.754 1.00 60.52 C ATOM 323 C ARG A 734 17.559 -13.911 7.292 1.00 2.24 C ATOM 324 O ARG A 734 17.386 -14.556 8.325 1.00 43.14 O ATOM 325 CB ARG A 734 19.432 -12.178 7.046 1.00 30.14 C ATOM 326 CG ARG A 734 19.345 -11.718 8.510 1.00 11.01 C ATOM 327 CD ARG A 734 17.971 -11.144 8.837 1.00 3.44 C ATOM 328 NE ARG A 734 17.593 -10.050 7.914 1.00 14.25 N ATOM 329 CZ ARG A 734 16.335 -9.647 7.696 1.00 21.44 C ATOM 330 NH1 ARG A 734 15.340 -10.200 8.369 1.00 51.45 N ATOM 331 NH2 ARG A 734 16.080 -8.678 6.809 1.00 34.24 N ATOM 0 H ARG A 734 19.102 -13.048 4.766 1.00 23.44 H new ATOM 0 HA ARG A 734 19.633 -14.333 7.275 1.00 60.52 H new ATOM 0 HB2 ARG A 734 20.465 -12.074 6.715 1.00 30.14 H new ATOM 0 HB3 ARG A 734 18.832 -11.501 6.438 1.00 30.14 H new ATOM 0 HG2 ARG A 734 19.555 -12.560 9.170 1.00 11.01 H new ATOM 0 HG3 ARG A 734 20.110 -10.965 8.701 1.00 11.01 H new ATOM 0 HD2 ARG A 734 17.225 -11.937 8.784 1.00 3.44 H new ATOM 0 HD3 ARG A 734 17.968 -10.771 9.861 1.00 3.44 H new ATOM 0 HE ARG A 734 18.340 -9.572 7.411 1.00 14.25 H new ATOM 0 HH11 ARG A 734 15.532 -10.932 9.053 1.00 51.45 H new ATOM 0 HH12 ARG A 734 14.381 -9.894 8.204 1.00 51.45 H new ATOM 0 HH21 ARG A 734 16.846 -8.243 6.295 1.00 34.24 H new ATOM 0 HH22 ARG A 734 15.120 -8.375 6.647 1.00 34.24 H new ATOM 345 N ALA A 735 16.574 -13.426 6.577 1.00 54.23 N ATOM 346 CA ALA A 735 15.193 -13.471 7.022 1.00 74.35 C ATOM 347 C ALA A 735 14.628 -14.874 6.966 1.00 24.21 C ATOM 348 O ALA A 735 14.122 -15.390 7.960 1.00 44.00 O ATOM 349 CB ALA A 735 14.344 -12.526 6.191 1.00 11.13 C ATOM 0 H ALA A 735 16.703 -12.986 5.666 1.00 54.23 H new ATOM 0 HA ALA A 735 15.171 -13.151 8.064 1.00 74.35 H new ATOM 0 HB1 ALA A 735 13.310 -12.569 6.534 1.00 11.13 H new ATOM 0 HB2 ALA A 735 14.720 -11.509 6.299 1.00 11.13 H new ATOM 0 HB3 ALA A 735 14.391 -12.821 5.143 1.00 11.13 H new ATOM 355 N ARG A 736 14.735 -15.503 5.811 1.00 70.44 N ATOM 356 CA ARG A 736 14.157 -16.828 5.596 1.00 75.10 C ATOM 357 C ARG A 736 14.954 -17.901 6.343 1.00 12.14 C ATOM 358 O ARG A 736 14.531 -19.039 6.445 1.00 73.42 O ATOM 359 CB ARG A 736 14.095 -17.143 4.091 1.00 51.51 C ATOM 360 CG ARG A 736 13.425 -18.455 3.744 1.00 34.21 C ATOM 361 CD ARG A 736 13.414 -18.691 2.253 1.00 60.23 C ATOM 362 NE ARG A 736 14.766 -18.705 1.685 1.00 32.13 N ATOM 363 CZ ARG A 736 15.083 -19.256 0.511 1.00 2.21 C ATOM 364 NH1 ARG A 736 14.155 -19.888 -0.208 1.00 21.12 N ATOM 365 NH2 ARG A 736 16.330 -19.192 0.067 1.00 23.45 N ATOM 0 H ARG A 736 15.219 -15.120 4.999 1.00 70.44 H new ATOM 0 HA ARG A 736 13.142 -16.829 5.994 1.00 75.10 H new ATOM 0 HB2 ARG A 736 13.564 -16.336 3.587 1.00 51.51 H new ATOM 0 HB3 ARG A 736 15.110 -17.154 3.694 1.00 51.51 H new ATOM 0 HG2 ARG A 736 13.947 -19.274 4.240 1.00 34.21 H new ATOM 0 HG3 ARG A 736 12.402 -18.454 4.121 1.00 34.21 H new ATOM 0 HD2 ARG A 736 12.923 -19.640 2.041 1.00 60.23 H new ATOM 0 HD3 ARG A 736 12.826 -17.912 1.768 1.00 60.23 H new ATOM 0 HE ARG A 736 15.513 -18.265 2.222 1.00 32.13 H new ATOM 0 HH11 ARG A 736 13.198 -19.952 0.138 1.00 21.12 H new ATOM 0 HH12 ARG A 736 14.402 -20.307 -1.104 1.00 21.12 H new ATOM 0 HH21 ARG A 736 17.045 -18.722 0.622 1.00 23.45 H new ATOM 0 HH22 ARG A 736 16.574 -19.612 -0.830 1.00 23.45 H new ATOM 379 N ALA A 737 16.103 -17.517 6.864 1.00 63.24 N ATOM 380 CA ALA A 737 16.930 -18.431 7.647 1.00 25.00 C ATOM 381 C ALA A 737 16.263 -18.774 8.965 1.00 64.51 C ATOM 382 O ALA A 737 16.500 -19.846 9.537 1.00 4.13 O ATOM 383 CB ALA A 737 18.286 -17.824 7.906 1.00 53.22 C ATOM 0 H ALA A 737 16.490 -16.579 6.762 1.00 63.24 H new ATOM 0 HA ALA A 737 17.052 -19.348 7.070 1.00 25.00 H new ATOM 0 HB1 ALA A 737 18.890 -18.518 8.491 1.00 53.22 H new ATOM 0 HB2 ALA A 737 18.782 -17.623 6.956 1.00 53.22 H new ATOM 0 HB3 ALA A 737 18.168 -16.892 8.458 1.00 53.22 H new ATOM 389 N LYS A 738 15.434 -17.871 9.448 1.00 63.55 N ATOM 390 CA LYS A 738 14.770 -18.060 10.713 1.00 25.11 C ATOM 391 C LYS A 738 13.268 -17.927 10.568 1.00 2.15 C ATOM 392 O LYS A 738 12.508 -18.562 11.290 1.00 41.32 O ATOM 393 CB LYS A 738 15.284 -17.064 11.784 1.00 34.31 C ATOM 394 CG LYS A 738 16.770 -17.182 12.136 1.00 73.31 C ATOM 395 CD LYS A 738 17.638 -16.329 11.221 1.00 22.14 C ATOM 396 CE LYS A 738 19.098 -16.396 11.632 1.00 64.51 C ATOM 397 NZ LYS A 738 19.931 -15.419 10.895 1.00 51.30 N ATOM 0 H LYS A 738 15.206 -16.995 8.977 1.00 63.55 H new ATOM 0 HA LYS A 738 15.004 -19.072 11.045 1.00 25.11 H new ATOM 0 HB2 LYS A 738 15.091 -16.050 11.434 1.00 34.31 H new ATOM 0 HB3 LYS A 738 14.701 -17.204 12.694 1.00 34.31 H new ATOM 0 HG2 LYS A 738 16.924 -16.877 13.171 1.00 73.31 H new ATOM 0 HG3 LYS A 738 17.079 -18.225 12.062 1.00 73.31 H new ATOM 0 HD2 LYS A 738 17.531 -16.670 10.191 1.00 22.14 H new ATOM 0 HD3 LYS A 738 17.296 -15.295 11.251 1.00 22.14 H new ATOM 0 HE2 LYS A 738 19.182 -16.208 12.702 1.00 64.51 H new ATOM 0 HE3 LYS A 738 19.478 -17.402 11.455 1.00 64.51 H new ATOM 0 HZ1 LYS A 738 20.920 -15.500 11.208 1.00 51.30 H new ATOM 0 HZ2 LYS A 738 19.873 -15.613 9.875 1.00 51.30 H new ATOM 0 HZ3 LYS A 738 19.586 -14.456 11.084 1.00 51.30 H new ATOM 411 N TRP A 739 12.840 -17.101 9.635 1.00 55.33 N ATOM 412 CA TRP A 739 11.439 -16.839 9.452 1.00 13.50 C ATOM 413 C TRP A 739 11.006 -17.143 8.041 1.00 14.12 C ATOM 414 O TRP A 739 10.379 -16.310 7.375 1.00 20.41 O ATOM 415 CB TRP A 739 11.105 -15.386 9.798 1.00 34.35 C ATOM 416 CG TRP A 739 11.549 -14.978 11.171 1.00 31.43 C ATOM 417 CD1 TRP A 739 12.834 -14.760 11.588 1.00 0.42 C ATOM 418 CD2 TRP A 739 10.716 -14.733 12.300 1.00 64.51 C ATOM 419 NE1 TRP A 739 12.847 -14.414 12.904 1.00 51.14 N ATOM 420 CE2 TRP A 739 11.559 -14.382 13.370 1.00 22.21 C ATOM 421 CE3 TRP A 739 9.342 -14.779 12.512 1.00 54.31 C ATOM 422 CZ2 TRP A 739 11.069 -14.079 14.636 1.00 33.11 C ATOM 423 CZ3 TRP A 739 8.853 -14.477 13.768 1.00 23.44 C ATOM 424 CH2 TRP A 739 9.714 -14.130 14.815 1.00 13.11 C ATOM 0 H TRP A 739 13.452 -16.600 8.991 1.00 55.33 H new ATOM 0 HA TRP A 739 10.893 -17.496 10.129 1.00 13.50 H new ATOM 0 HB2 TRP A 739 11.573 -14.730 9.064 1.00 34.35 H new ATOM 0 HB3 TRP A 739 10.028 -15.240 9.715 1.00 34.35 H new ATOM 0 HD1 TRP A 739 13.710 -14.850 10.963 1.00 0.42 H new ATOM 0 HE1 TRP A 739 13.681 -14.211 13.455 1.00 51.14 H new ATOM 0 HE3 TRP A 739 8.670 -15.046 11.710 1.00 54.31 H new ATOM 0 HZ2 TRP A 739 11.732 -13.814 15.446 1.00 33.11 H new ATOM 0 HZ3 TRP A 739 7.788 -14.509 13.945 1.00 23.44 H new ATOM 0 HH2 TRP A 739 9.300 -13.898 15.785 1.00 13.11 H new ATOM 435 N ASP A 740 11.329 -18.322 7.577 1.00 70.41 N ATOM 436 CA ASP A 740 10.848 -18.790 6.256 1.00 53.22 C ATOM 437 C ASP A 740 9.314 -18.786 6.226 1.00 65.11 C ATOM 438 O ASP A 740 8.697 -18.621 5.184 1.00 15.45 O ATOM 439 CB ASP A 740 11.388 -20.201 5.938 1.00 52.30 C ATOM 440 CG ASP A 740 10.734 -21.301 6.759 1.00 4.11 C ATOM 441 OD1 ASP A 740 11.080 -21.447 7.945 1.00 31.51 O ATOM 442 OD2 ASP A 740 9.876 -22.035 6.212 1.00 51.31 O ATOM 0 H ASP A 740 11.919 -18.990 8.074 1.00 70.41 H new ATOM 0 HA ASP A 740 11.221 -18.107 5.492 1.00 53.22 H new ATOM 0 HB2 ASP A 740 11.235 -20.410 4.879 1.00 52.30 H new ATOM 0 HB3 ASP A 740 12.464 -20.218 6.114 1.00 52.30 H new ATOM 447 N THR A 741 8.732 -18.952 7.385 1.00 43.51 N ATOM 448 CA THR A 741 7.313 -18.868 7.569 1.00 53.13 C ATOM 449 C THR A 741 6.791 -17.425 7.298 1.00 50.42 C ATOM 450 O THR A 741 5.706 -17.235 6.735 1.00 51.23 O ATOM 451 CB THR A 741 6.959 -19.259 9.025 1.00 13.45 C ATOM 452 OG1 THR A 741 7.159 -20.667 9.232 1.00 54.42 O ATOM 453 CG2 THR A 741 5.544 -18.864 9.382 1.00 52.55 C ATOM 0 H THR A 741 9.245 -19.153 8.243 1.00 43.51 H new ATOM 0 HA THR A 741 6.840 -19.550 6.862 1.00 53.13 H new ATOM 0 HB THR A 741 7.629 -18.709 9.686 1.00 13.45 H new ATOM 0 HG1 THR A 741 6.932 -20.897 10.157 1.00 54.42 H new ATOM 0 HG21 THR A 741 5.334 -19.155 10.411 1.00 52.55 H new ATOM 0 HG22 THR A 741 5.431 -17.785 9.280 1.00 52.55 H new ATOM 0 HG23 THR A 741 4.846 -19.367 8.713 1.00 52.55 H new ATOM 461 N ALA A 742 7.578 -16.445 7.678 1.00 41.14 N ATOM 462 CA ALA A 742 7.135 -15.061 7.686 1.00 64.42 C ATOM 463 C ALA A 742 7.380 -14.366 6.356 1.00 74.20 C ATOM 464 O ALA A 742 6.679 -13.419 6.006 1.00 14.25 O ATOM 465 CB ALA A 742 7.822 -14.312 8.805 1.00 32.21 C ATOM 0 H ALA A 742 8.540 -16.579 7.990 1.00 41.14 H new ATOM 0 HA ALA A 742 6.057 -15.061 7.850 1.00 64.42 H new ATOM 0 HB1 ALA A 742 7.487 -13.275 8.808 1.00 32.21 H new ATOM 0 HB2 ALA A 742 7.574 -14.776 9.760 1.00 32.21 H new ATOM 0 HB3 ALA A 742 8.901 -14.345 8.656 1.00 32.21 H new ATOM 471 N ASN A 743 8.368 -14.821 5.630 1.00 32.42 N ATOM 472 CA ASN A 743 8.726 -14.184 4.353 1.00 64.53 C ATOM 473 C ASN A 743 8.083 -14.887 3.208 1.00 61.21 C ATOM 474 O ASN A 743 7.739 -14.272 2.199 1.00 62.20 O ATOM 475 CB ASN A 743 10.244 -14.160 4.159 1.00 61.03 C ATOM 476 CG ASN A 743 10.943 -13.368 5.221 1.00 34.22 C ATOM 477 OD1 ASN A 743 11.167 -12.174 5.077 1.00 73.42 O ATOM 478 ND2 ASN A 743 11.281 -14.015 6.289 1.00 64.15 N ATOM 0 H ASN A 743 8.945 -15.623 5.883 1.00 32.42 H new ATOM 0 HA ASN A 743 8.360 -13.158 4.385 1.00 64.53 H new ATOM 0 HB2 ASN A 743 10.624 -15.182 4.162 1.00 61.03 H new ATOM 0 HB3 ASN A 743 10.476 -13.736 3.182 1.00 61.03 H new ATOM 0 HD21 ASN A 743 11.753 -13.529 7.052 1.00 64.15 H new ATOM 0 HD22 ASN A 743 11.075 -15.011 6.369 1.00 64.15 H new ATOM 485 N ASN A 744 7.916 -16.155 3.348 1.00 23.32 N ATOM 486 CA ASN A 744 7.358 -16.952 2.314 1.00 31.13 C ATOM 487 C ASN A 744 5.936 -17.242 2.592 1.00 21.32 C ATOM 488 O ASN A 744 5.570 -17.560 3.726 1.00 13.43 O ATOM 489 CB ASN A 744 8.121 -18.236 2.170 1.00 54.44 C ATOM 490 CG ASN A 744 9.536 -18.014 1.732 1.00 23.05 C ATOM 491 OD1 ASN A 744 10.422 -17.809 2.548 1.00 61.02 O ATOM 492 ND2 ASN A 744 9.757 -18.051 0.451 1.00 13.21 N ATOM 0 H ASN A 744 8.165 -16.672 4.191 1.00 23.32 H new ATOM 0 HA ASN A 744 7.427 -16.394 1.380 1.00 31.13 H new ATOM 0 HB2 ASN A 744 8.117 -18.766 3.122 1.00 54.44 H new ATOM 0 HB3 ASN A 744 7.616 -18.876 1.447 1.00 54.44 H new ATOM 0 HD21 ASN A 744 10.701 -17.906 0.092 1.00 13.21 H new ATOM 0 HD22 ASN A 744 8.987 -18.225 -0.195 1.00 13.21 H new ATOM 499 N PRO A 745 5.098 -17.120 1.589 1.00 52.43 N ATOM 500 CA PRO A 745 3.691 -17.413 1.717 1.00 31.51 C ATOM 501 C PRO A 745 3.425 -18.908 1.880 1.00 21.44 C ATOM 502 O PRO A 745 3.054 -19.375 2.962 1.00 1.14 O ATOM 503 CB PRO A 745 3.093 -16.894 0.395 1.00 71.23 C ATOM 504 CG PRO A 745 4.230 -16.917 -0.570 1.00 0.31 C ATOM 505 CD PRO A 745 5.459 -16.659 0.228 1.00 32.45 C ATOM 0 HA PRO A 745 3.256 -16.950 2.603 1.00 31.51 H new ATOM 0 HB2 PRO A 745 2.273 -17.527 0.056 1.00 71.23 H new ATOM 0 HB3 PRO A 745 2.692 -15.887 0.510 1.00 71.23 H new ATOM 0 HG2 PRO A 745 4.290 -17.880 -1.077 1.00 0.31 H new ATOM 0 HG3 PRO A 745 4.101 -16.158 -1.342 1.00 0.31 H new ATOM 0 HD2 PRO A 745 6.315 -17.207 -0.166 1.00 32.45 H new ATOM 0 HD3 PRO A 745 5.726 -15.602 0.221 1.00 32.45 H new ATOM 513 N LEU A 746 3.622 -19.631 0.832 1.00 34.23 N ATOM 514 CA LEU A 746 3.315 -21.009 0.799 1.00 20.13 C ATOM 515 C LEU A 746 4.529 -21.840 1.090 1.00 55.14 C ATOM 516 O LEU A 746 4.464 -22.817 1.847 1.00 1.43 O ATOM 517 CB LEU A 746 2.736 -21.359 -0.561 1.00 70.33 C ATOM 518 CG LEU A 746 2.513 -22.839 -0.862 1.00 73.15 C ATOM 519 CD1 LEU A 746 1.479 -23.431 0.073 1.00 41.45 C ATOM 520 CD2 LEU A 746 2.094 -23.025 -2.302 1.00 52.10 C ATOM 0 H LEU A 746 4.009 -19.269 -0.040 1.00 34.23 H new ATOM 0 HA LEU A 746 2.578 -21.227 1.572 1.00 20.13 H new ATOM 0 HB2 LEU A 746 1.780 -20.845 -0.664 1.00 70.33 H new ATOM 0 HB3 LEU A 746 3.400 -20.955 -1.325 1.00 70.33 H new ATOM 0 HG LEU A 746 3.454 -23.366 -0.702 1.00 73.15 H new ATOM 0 HD11 LEU A 746 1.338 -24.486 -0.162 1.00 41.45 H new ATOM 0 HD12 LEU A 746 1.820 -23.331 1.103 1.00 41.45 H new ATOM 0 HD13 LEU A 746 0.533 -22.903 -0.049 1.00 41.45 H new ATOM 0 HD21 LEU A 746 1.939 -24.085 -2.502 1.00 52.10 H new ATOM 0 HD22 LEU A 746 1.167 -22.482 -2.484 1.00 52.10 H new ATOM 0 HD23 LEU A 746 2.874 -22.642 -2.960 1.00 52.10 H new HETATM 532 N PTR A 747 5.650 -21.448 0.514 1.00 44.01 N HETATM 533 CA PTR A 747 6.836 -22.213 0.611 1.00 62.23 C HETATM 534 C PTR A 747 7.975 -21.428 0.053 1.00 71.20 C HETATM 535 O PTR A 747 8.916 -21.087 0.744 1.00 45.10 O HETATM 536 CB PTR A 747 6.677 -23.474 -0.229 1.00 33.13 C HETATM 537 CG PTR A 747 7.608 -24.587 0.144 1.00 70.12 C HETATM 538 CD1 PTR A 747 8.916 -24.551 -0.235 1.00 41.44 C HETATM 539 CD2 PTR A 747 7.161 -25.678 0.874 1.00 31.43 C HETATM 540 CE1 PTR A 747 9.790 -25.573 0.096 1.00 3.54 C HETATM 541 CE2 PTR A 747 8.012 -26.705 1.215 1.00 52.24 C HETATM 542 CZ PTR A 747 9.327 -26.654 0.828 1.00 51.15 C HETATM 543 OH PTR A 747 10.200 -27.709 1.178 1.00 39.20 O HETATM 544 P PTR A 747 11.615 -27.517 1.840 1.00 39.20 P HETATM 545 O1P PTR A 747 12.462 -26.636 0.935 1.00 39.20 O HETATM 546 O2P PTR A 747 11.428 -26.749 3.162 1.00 39.20 O HETATM 547 O3P PTR A 747 12.054 -28.899 1.992 1.00 39.20 O HETATM 0 HE2 PTR A 747 7.643 -27.554 1.790 1.00 52.24 H new HETATM 0 HE1 PTR A 747 10.833 -25.527 -0.217 1.00 3.54 H new HETATM 0 HD2 PTR A 747 6.117 -25.723 1.183 1.00 31.43 H new HETATM 0 HD1 PTR A 747 9.282 -23.701 -0.810 1.00 41.44 H new HETATM 0 HB3 PTR A 747 5.651 -23.829 -0.138 1.00 33.13 H new HETATM 0 HB2 PTR A 747 6.835 -23.220 -1.277 1.00 33.13 H new HETATM 0 HA PTR A 747 7.024 -22.464 1.655 1.00 62.23 H new HETATM 0 H PTR A 747 5.678 -20.513 0.108 1.00 44.01 H new ATOM 556 N LYS A 748 7.870 -21.144 -1.197 1.00 10.44 N ATOM 557 CA LYS A 748 8.881 -20.500 -1.929 1.00 24.10 C ATOM 558 C LYS A 748 8.451 -19.089 -2.273 1.00 63.40 C ATOM 559 O LYS A 748 7.346 -18.668 -1.920 1.00 71.44 O ATOM 560 CB LYS A 748 9.150 -21.307 -3.196 1.00 53.23 C ATOM 561 CG LYS A 748 9.793 -22.664 -2.940 1.00 42.02 C ATOM 562 CD LYS A 748 11.164 -22.515 -2.310 1.00 4.23 C ATOM 563 CE LYS A 748 12.210 -22.168 -3.342 1.00 71.35 C ATOM 564 NZ LYS A 748 12.577 -23.339 -4.157 1.00 41.03 N ATOM 0 H LYS A 748 7.043 -21.366 -1.751 1.00 10.44 H new ATOM 0 HA LYS A 748 9.794 -20.438 -1.337 1.00 24.10 H new ATOM 0 HB2 LYS A 748 8.209 -21.456 -3.726 1.00 53.23 H new ATOM 0 HB3 LYS A 748 9.798 -20.727 -3.853 1.00 53.23 H new ATOM 0 HG2 LYS A 748 9.152 -23.255 -2.285 1.00 42.02 H new ATOM 0 HG3 LYS A 748 9.880 -23.211 -3.879 1.00 42.02 H new ATOM 0 HD2 LYS A 748 11.133 -21.738 -1.546 1.00 4.23 H new ATOM 0 HD3 LYS A 748 11.439 -23.443 -1.809 1.00 4.23 H new ATOM 0 HE2 LYS A 748 11.834 -21.376 -3.990 1.00 71.35 H new ATOM 0 HE3 LYS A 748 13.098 -21.778 -2.844 1.00 71.35 H new ATOM 0 HZ1 LYS A 748 13.310 -23.068 -4.844 1.00 41.03 H new ATOM 0 HZ2 LYS A 748 12.943 -24.091 -3.539 1.00 41.03 H new ATOM 0 HZ3 LYS A 748 11.738 -23.685 -4.664 1.00 41.03 H new ATOM 578 N GLU A 749 9.314 -18.357 -2.935 1.00 41.22 N ATOM 579 CA GLU A 749 9.011 -16.982 -3.319 1.00 0.31 C ATOM 580 C GLU A 749 7.987 -16.961 -4.432 1.00 22.31 C ATOM 581 O GLU A 749 7.128 -16.073 -4.500 1.00 54.23 O ATOM 582 CB GLU A 749 10.291 -16.224 -3.746 1.00 2.15 C ATOM 583 CG GLU A 749 11.012 -16.823 -4.948 1.00 0.01 C ATOM 584 CD GLU A 749 12.090 -15.920 -5.481 1.00 21.22 C ATOM 585 OE1 GLU A 749 11.765 -14.806 -5.915 1.00 74.24 O ATOM 586 OE2 GLU A 749 13.273 -16.313 -5.476 1.00 54.40 O ATOM 0 H GLU A 749 10.236 -18.683 -3.224 1.00 41.22 H new ATOM 0 HA GLU A 749 8.596 -16.473 -2.449 1.00 0.31 H new ATOM 0 HB2 GLU A 749 10.027 -15.192 -3.975 1.00 2.15 H new ATOM 0 HB3 GLU A 749 10.980 -16.197 -2.902 1.00 2.15 H new ATOM 0 HG2 GLU A 749 11.451 -17.780 -4.665 1.00 0.01 H new ATOM 0 HG3 GLU A 749 10.289 -17.026 -5.738 1.00 0.01 H new ATOM 593 N ALA A 750 8.075 -17.940 -5.285 1.00 74.52 N ATOM 594 CA ALA A 750 7.186 -18.085 -6.386 1.00 45.33 C ATOM 595 C ALA A 750 6.914 -19.559 -6.621 1.00 75.15 C ATOM 596 O ALA A 750 7.124 -20.081 -7.719 1.00 42.13 O ATOM 597 CB ALA A 750 7.778 -17.432 -7.624 1.00 32.14 C ATOM 0 H ALA A 750 8.784 -18.672 -5.228 1.00 74.52 H new ATOM 0 HA ALA A 750 6.242 -17.588 -6.165 1.00 45.33 H new ATOM 0 HB1 ALA A 750 7.090 -17.549 -8.461 1.00 32.14 H new ATOM 0 HB2 ALA A 750 7.941 -16.371 -7.433 1.00 32.14 H new ATOM 0 HB3 ALA A 750 8.728 -17.907 -7.867 1.00 32.14 H new ATOM 603 N THR A 751 6.463 -20.226 -5.559 1.00 25.51 N ATOM 604 CA THR A 751 6.165 -21.671 -5.564 1.00 11.24 C ATOM 605 C THR A 751 5.339 -22.109 -6.808 1.00 20.10 C ATOM 606 O THR A 751 5.558 -23.204 -7.356 1.00 60.02 O ATOM 607 CB THR A 751 5.383 -22.071 -4.290 1.00 34.11 C ATOM 608 OG1 THR A 751 5.943 -21.397 -3.150 1.00 63.13 O ATOM 609 CG2 THR A 751 5.458 -23.575 -4.065 1.00 21.04 C ATOM 0 H THR A 751 6.290 -19.780 -4.658 1.00 25.51 H new ATOM 0 HA THR A 751 7.129 -22.179 -5.596 1.00 11.24 H new ATOM 0 HB THR A 751 4.340 -21.783 -4.420 1.00 34.11 H new ATOM 0 HG1 THR A 751 5.363 -21.534 -2.372 1.00 63.13 H new ATOM 0 HG21 THR A 751 4.902 -23.836 -3.165 1.00 21.04 H new ATOM 0 HG22 THR A 751 5.026 -24.093 -4.921 1.00 21.04 H new ATOM 0 HG23 THR A 751 6.500 -23.874 -3.948 1.00 21.04 H new ATOM 617 N SER A 752 4.410 -21.263 -7.240 1.00 22.25 N ATOM 618 CA SER A 752 3.541 -21.599 -8.345 1.00 64.53 C ATOM 619 C SER A 752 4.325 -21.753 -9.675 1.00 52.54 C ATOM 620 O SER A 752 4.090 -22.698 -10.433 1.00 12.24 O ATOM 621 CB SER A 752 2.410 -20.569 -8.489 1.00 61.14 C ATOM 622 OG SER A 752 1.443 -20.998 -9.454 1.00 62.14 O ATOM 0 H SER A 752 4.245 -20.341 -6.837 1.00 22.25 H new ATOM 0 HA SER A 752 3.094 -22.568 -8.120 1.00 64.53 H new ATOM 0 HB2 SER A 752 1.925 -20.420 -7.525 1.00 61.14 H new ATOM 0 HB3 SER A 752 2.826 -19.607 -8.789 1.00 61.14 H new ATOM 0 HG SER A 752 0.733 -20.327 -9.526 1.00 62.14 H new ATOM 628 N THR A 753 5.242 -20.847 -9.946 1.00 1.34 N ATOM 629 CA THR A 753 6.009 -20.933 -11.166 1.00 44.32 C ATOM 630 C THR A 753 7.201 -21.906 -11.014 1.00 31.24 C ATOM 631 O THR A 753 7.644 -22.513 -11.992 1.00 43.00 O ATOM 632 CB THR A 753 6.488 -19.532 -11.685 1.00 64.50 C ATOM 633 OG1 THR A 753 7.032 -19.651 -13.027 1.00 21.22 O ATOM 634 CG2 THR A 753 7.531 -18.940 -10.777 1.00 63.33 C ATOM 0 H THR A 753 5.470 -20.054 -9.346 1.00 1.34 H new ATOM 0 HA THR A 753 5.335 -21.333 -11.924 1.00 44.32 H new ATOM 0 HB THR A 753 5.621 -18.871 -11.697 1.00 64.50 H new ATOM 0 HG1 THR A 753 7.326 -18.770 -13.340 1.00 21.22 H new ATOM 0 HG21 THR A 753 7.842 -17.970 -11.164 1.00 63.33 H new ATOM 0 HG22 THR A 753 7.115 -18.815 -9.777 1.00 63.33 H new ATOM 0 HG23 THR A 753 8.393 -19.605 -10.731 1.00 63.33 H new ATOM 642 N PHE A 754 7.703 -22.056 -9.785 1.00 53.35 N ATOM 643 CA PHE A 754 8.757 -23.017 -9.510 1.00 51.23 C ATOM 644 C PHE A 754 8.733 -23.447 -8.044 1.00 25.44 C ATOM 645 O PHE A 754 8.714 -22.614 -7.136 1.00 43.35 O ATOM 646 CB PHE A 754 10.170 -22.463 -9.909 1.00 41.11 C ATOM 647 CG PHE A 754 10.711 -21.369 -9.006 1.00 13.03 C ATOM 648 CD1 PHE A 754 10.360 -20.052 -9.204 1.00 30.30 C ATOM 649 CD2 PHE A 754 11.575 -21.678 -7.962 1.00 32.23 C ATOM 650 CE1 PHE A 754 10.853 -19.059 -8.384 1.00 23.23 C ATOM 651 CE2 PHE A 754 12.070 -20.690 -7.142 1.00 34.21 C ATOM 652 CZ PHE A 754 11.709 -19.379 -7.352 1.00 13.30 C ATOM 0 H PHE A 754 7.393 -21.523 -8.972 1.00 53.35 H new ATOM 0 HA PHE A 754 8.567 -23.895 -10.128 1.00 51.23 H new ATOM 0 HB2 PHE A 754 10.879 -23.291 -9.916 1.00 41.11 H new ATOM 0 HB3 PHE A 754 10.118 -22.079 -10.928 1.00 41.11 H new ATOM 0 HD1 PHE A 754 9.691 -19.794 -10.011 1.00 30.30 H new ATOM 0 HD2 PHE A 754 11.861 -22.705 -7.792 1.00 32.23 H new ATOM 0 HE1 PHE A 754 10.568 -18.031 -8.550 1.00 23.23 H new ATOM 0 HE2 PHE A 754 12.741 -20.943 -6.335 1.00 34.21 H new ATOM 0 HZ PHE A 754 12.096 -18.602 -6.709 1.00 13.30 H new ATOM 662 N THR A 755 8.704 -24.720 -7.822 1.00 4.43 N ATOM 663 CA THR A 755 8.751 -25.240 -6.495 1.00 12.34 C ATOM 664 C THR A 755 10.172 -25.726 -6.162 1.00 32.32 C ATOM 665 O THR A 755 10.878 -25.102 -5.348 1.00 21.30 O ATOM 666 CB THR A 755 7.734 -26.381 -6.304 1.00 72.01 C ATOM 667 OG1 THR A 755 6.438 -25.934 -6.746 1.00 11.23 O ATOM 668 CG2 THR A 755 7.651 -26.783 -4.837 1.00 72.30 C ATOM 0 H THR A 755 8.647 -25.428 -8.554 1.00 4.43 H new ATOM 0 HA THR A 755 8.483 -24.436 -5.809 1.00 12.34 H new ATOM 0 HB THR A 755 8.056 -27.244 -6.887 1.00 72.01 H new ATOM 0 HG1 THR A 755 6.436 -24.957 -6.819 1.00 11.23 H new ATOM 0 HG21 THR A 755 6.928 -27.590 -4.721 1.00 72.30 H new ATOM 0 HG22 THR A 755 8.630 -27.121 -4.496 1.00 72.30 H new ATOM 0 HG23 THR A 755 7.336 -25.926 -4.242 1.00 72.30 H new ATOM 676 N ASN A 756 10.594 -26.824 -6.799 1.00 2.44 N ATOM 677 CA ASN A 756 11.946 -27.350 -6.610 1.00 35.11 C ATOM 678 C ASN A 756 12.288 -28.365 -7.693 1.00 50.40 C ATOM 679 O ASN A 756 11.736 -29.476 -7.723 1.00 32.25 O ATOM 680 CB ASN A 756 12.096 -27.994 -5.216 1.00 52.13 C ATOM 681 CG ASN A 756 13.543 -28.371 -4.884 1.00 34.12 C ATOM 682 OD1 ASN A 756 14.345 -28.701 -5.766 1.00 32.51 O ATOM 683 ND2 ASN A 756 13.878 -28.325 -3.632 1.00 51.42 N ATOM 0 H ASN A 756 10.019 -27.362 -7.447 1.00 2.44 H new ATOM 0 HA ASN A 756 12.641 -26.514 -6.683 1.00 35.11 H new ATOM 0 HB2 ASN A 756 11.724 -27.302 -4.460 1.00 52.13 H new ATOM 0 HB3 ASN A 756 11.473 -28.887 -5.165 1.00 52.13 H new ATOM 0 HD21 ASN A 756 14.828 -28.565 -3.349 1.00 51.42 H new ATOM 0 HD22 ASN A 756 13.191 -28.049 -2.930 1.00 51.42 H new ATOM 690 N ILE A 757 13.176 -27.995 -8.570 1.00 54.43 N ATOM 691 CA ILE A 757 13.625 -28.890 -9.606 1.00 41.20 C ATOM 692 C ILE A 757 14.890 -29.638 -9.162 1.00 74.11 C ATOM 693 O ILE A 757 14.881 -30.856 -9.014 1.00 3.41 O ATOM 694 CB ILE A 757 13.894 -28.133 -10.935 1.00 30.03 C ATOM 695 CG1 ILE A 757 12.616 -27.401 -11.386 1.00 22.42 C ATOM 696 CG2 ILE A 757 14.372 -29.104 -12.021 1.00 20.13 C ATOM 697 CD1 ILE A 757 12.780 -26.597 -12.652 1.00 52.10 C ATOM 0 H ILE A 757 13.609 -27.072 -8.591 1.00 54.43 H new ATOM 0 HA ILE A 757 12.828 -29.612 -9.783 1.00 41.20 H new ATOM 0 HB ILE A 757 14.681 -27.398 -10.769 1.00 30.03 H new ATOM 0 HG12 ILE A 757 11.823 -28.134 -11.534 1.00 22.42 H new ATOM 0 HG13 ILE A 757 12.290 -26.736 -10.586 1.00 22.42 H new ATOM 0 HG21 ILE A 757 14.555 -28.555 -12.945 1.00 20.13 H new ATOM 0 HG22 ILE A 757 15.294 -29.587 -11.697 1.00 20.13 H new ATOM 0 HG23 ILE A 757 13.607 -29.861 -12.194 1.00 20.13 H new ATOM 0 HD11 ILE A 757 11.835 -26.113 -12.901 1.00 52.10 H new ATOM 0 HD12 ILE A 757 13.548 -25.838 -12.504 1.00 52.10 H new ATOM 0 HD13 ILE A 757 13.075 -27.258 -13.467 1.00 52.10 H new ATOM 709 N THR A 758 15.949 -28.904 -8.935 1.00 3.21 N ATOM 710 CA THR A 758 17.222 -29.490 -8.536 1.00 71.34 C ATOM 711 C THR A 758 17.850 -28.700 -7.403 1.00 32.41 C ATOM 712 O THR A 758 19.083 -28.670 -7.246 1.00 2.15 O ATOM 713 CB THR A 758 18.200 -29.526 -9.720 1.00 61.14 C ATOM 714 OG1 THR A 758 18.073 -28.312 -10.501 1.00 32.12 O ATOM 715 CG2 THR A 758 17.949 -30.731 -10.600 1.00 74.12 C ATOM 0 H THR A 758 15.963 -27.888 -9.018 1.00 3.21 H new ATOM 0 HA THR A 758 17.022 -30.507 -8.199 1.00 71.34 H new ATOM 0 HB THR A 758 19.212 -29.600 -9.322 1.00 61.14 H new ATOM 0 HG1 THR A 758 18.700 -28.340 -11.253 1.00 32.12 H new ATOM 0 HG21 THR A 758 18.656 -30.729 -11.429 1.00 74.12 H new ATOM 0 HG22 THR A 758 18.078 -31.642 -10.015 1.00 74.12 H new ATOM 0 HG23 THR A 758 16.932 -30.691 -10.990 1.00 74.12 H new HETATM 723 N PTR A 759 17.027 -28.095 -6.614 1.00 70.35 N HETATM 724 CA PTR A 759 17.481 -27.209 -5.591 1.00 34.40 C HETATM 725 C PTR A 759 17.585 -27.923 -4.243 1.00 71.42 C HETATM 726 O PTR A 759 16.592 -28.420 -3.709 1.00 13.12 O HETATM 727 CB PTR A 759 16.546 -26.012 -5.487 1.00 41.24 C HETATM 728 CG PTR A 759 17.123 -24.851 -4.734 1.00 43.21 C HETATM 729 CD1 PTR A 759 17.902 -23.911 -5.382 1.00 54.13 C HETATM 730 CD2 PTR A 759 16.886 -24.686 -3.380 1.00 2.22 C HETATM 731 CE1 PTR A 759 18.427 -22.843 -4.710 1.00 12.13 C HETATM 732 CE2 PTR A 759 17.411 -23.617 -2.697 1.00 42.32 C HETATM 733 CZ PTR A 759 18.180 -22.697 -3.366 1.00 54.25 C HETATM 734 OH PTR A 759 18.701 -21.606 -2.684 1.00 39.20 O HETATM 735 P PTR A 759 18.184 -20.143 -2.851 1.00 39.20 P HETATM 736 O1P PTR A 759 19.238 -19.205 -2.300 1.00 39.20 O HETATM 737 O2P PTR A 759 18.071 -19.842 -4.369 1.00 39.20 O HETATM 738 O3P PTR A 759 16.930 -20.192 -2.141 1.00 39.20 O HETATM 0 HE2 PTR A 759 17.219 -23.499 -1.631 1.00 42.32 H new HETATM 0 HE1 PTR A 759 19.038 -22.111 -5.237 1.00 12.13 H new HETATM 0 HD2 PTR A 759 16.274 -25.415 -2.849 1.00 2.22 H new HETATM 0 HD1 PTR A 759 18.101 -24.023 -6.448 1.00 54.13 H new HETATM 0 HB3 PTR A 759 16.279 -25.684 -6.492 1.00 41.24 H new HETATM 0 HB2 PTR A 759 15.623 -26.326 -4.999 1.00 41.24 H new HETATM 0 HA PTR A 759 18.478 -26.861 -5.860 1.00 34.40 H new ATOM 747 N ARG A 760 18.777 -27.982 -3.721 1.00 52.54 N ATOM 748 CA ARG A 760 19.030 -28.570 -2.424 1.00 24.42 C ATOM 749 C ARG A 760 20.395 -28.159 -1.918 1.00 62.13 C ATOM 750 O ARG A 760 21.367 -28.125 -2.679 1.00 72.42 O ATOM 751 CB ARG A 760 18.918 -30.103 -2.471 1.00 53.21 C ATOM 752 CG ARG A 760 19.844 -30.770 -3.471 1.00 62.11 C ATOM 753 CD ARG A 760 19.780 -32.278 -3.358 1.00 14.14 C ATOM 754 NE ARG A 760 18.427 -32.792 -3.568 1.00 23.11 N ATOM 755 CZ ARG A 760 18.009 -34.008 -3.181 1.00 20.54 C ATOM 756 NH1 ARG A 760 18.840 -34.833 -2.522 1.00 25.21 N ATOM 757 NH2 ARG A 760 16.771 -34.390 -3.435 1.00 50.42 N ATOM 0 H ARG A 760 19.612 -27.622 -4.183 1.00 52.54 H new ATOM 0 HA ARG A 760 18.270 -28.200 -1.736 1.00 24.42 H new ATOM 0 HB2 ARG A 760 19.128 -30.501 -1.478 1.00 53.21 H new ATOM 0 HB3 ARG A 760 17.889 -30.373 -2.711 1.00 53.21 H new ATOM 0 HG2 ARG A 760 19.570 -30.467 -4.482 1.00 62.11 H new ATOM 0 HG3 ARG A 760 20.867 -30.434 -3.303 1.00 62.11 H new ATOM 0 HD2 ARG A 760 20.454 -32.724 -4.090 1.00 14.14 H new ATOM 0 HD3 ARG A 760 20.133 -32.582 -2.373 1.00 14.14 H new ATOM 0 HE ARG A 760 17.756 -32.186 -4.040 1.00 23.11 H new ATOM 0 HH11 ARG A 760 19.793 -34.537 -2.313 1.00 25.21 H new ATOM 0 HH12 ARG A 760 18.517 -35.756 -2.230 1.00 25.21 H new ATOM 0 HH21 ARG A 760 16.134 -33.762 -3.925 1.00 50.42 H new ATOM 0 HH22 ARG A 760 16.452 -35.313 -3.142 1.00 50.42 H new ATOM 771 N GLY A 761 20.469 -27.845 -0.664 1.00 73.41 N ATOM 772 CA GLY A 761 21.711 -27.427 -0.089 1.00 30.12 C ATOM 773 C GLY A 761 21.869 -27.921 1.313 1.00 33.33 C ATOM 774 O GLY A 761 22.491 -27.270 2.141 1.00 51.42 O ATOM 0 H GLY A 761 19.682 -27.870 -0.015 1.00 73.41 H new ATOM 0 HA2 GLY A 761 22.536 -27.795 -0.699 1.00 30.12 H new ATOM 0 HA3 GLY A 761 21.768 -26.339 -0.099 1.00 30.12 H new ATOM 778 N THR A 762 21.309 -29.064 1.585 1.00 62.24 N ATOM 779 CA THR A 762 21.383 -29.647 2.884 1.00 13.33 C ATOM 780 C THR A 762 21.786 -31.118 2.772 1.00 13.34 C ATOM 781 O THR A 762 20.883 -31.988 2.653 1.00 72.30 O ATOM 782 CB THR A 762 20.029 -29.523 3.630 1.00 55.51 C ATOM 783 OG1 THR A 762 19.595 -28.135 3.608 1.00 63.14 O ATOM 784 CG2 THR A 762 20.167 -29.977 5.081 1.00 54.03 C ATOM 785 OXT THR A 762 22.996 -31.400 2.769 1.00 39.20 O ATOM 0 H THR A 762 20.787 -29.617 0.905 1.00 62.24 H new ATOM 0 HA THR A 762 22.137 -29.108 3.458 1.00 13.33 H new ATOM 0 HB THR A 762 19.297 -30.158 3.130 1.00 55.51 H new ATOM 0 HG1 THR A 762 18.739 -28.053 4.077 1.00 63.14 H new ATOM 0 HG21 THR A 762 19.205 -29.881 5.585 1.00 54.03 H new ATOM 0 HG22 THR A 762 20.489 -31.018 5.107 1.00 54.03 H new ATOM 0 HG23 THR A 762 20.906 -29.356 5.588 1.00 54.03 H new TER 793 THR A 762