USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 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+ 171:sc= -0.0018 (180deg=-0.0741) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= -0.657 K(o=-0.66,f=0.17) USER MOD Single : A 725 LYS NZ :NH3+ 168:sc= 2.41 (180deg=2.16) USER MOD Single : A 729 LYS NZ :NH3+ -140:sc= 1.26 (180deg=-0.396) USER MOD Single : A 738 LYS NZ :NH3+ 164:sc= -0.0598 (180deg=-0.378) USER MOD Single : A 741 THR OG1 : rot 180:sc= 0 USER MOD Single : A 743 ASN : amide:sc= 0.0242 X(o=0.024,f=-0.12) USER MOD Single : A 744 ASN : amide:sc= 0.588 K(o=0.59,f=-0.65) USER MOD Single : A 748 LYS NZ :NH3+ -116:sc= 1.25 (180deg=0.742) USER MOD Single : A 751 THR OG1 : rot -100:sc= -0.9 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot -33:sc= 0.0591 USER MOD Single : A 755 THR OG1 : rot 180:sc= -0.0281 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 758 THR OG1 : rot 44:sc= 0.278 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 716 2.656 -2.703 -4.101 1.00 13.00 N ATOM 2 CA LYS A 716 4.097 -2.920 -3.927 1.00 3.51 C ATOM 3 C LYS A 716 4.494 -4.372 -4.147 1.00 4.42 C ATOM 4 O LYS A 716 5.675 -4.699 -4.166 1.00 34.15 O ATOM 5 CB LYS A 716 4.579 -2.420 -2.515 1.00 11.21 C ATOM 6 CG LYS A 716 3.703 -2.870 -1.300 1.00 33.30 C ATOM 7 CD LYS A 716 3.742 -4.394 -1.062 1.00 24.22 C ATOM 8 CE LYS A 716 5.138 -4.887 -0.674 1.00 63.21 C ATOM 9 NZ LYS A 716 5.572 -4.353 0.629 1.00 54.23 N ATOM 0 HA LYS A 716 4.598 -2.329 -4.694 1.00 3.51 H new ATOM 0 HB2 LYS A 716 5.598 -2.771 -2.354 1.00 11.21 H new ATOM 0 HB3 LYS A 716 4.616 -1.331 -2.529 1.00 11.21 H new ATOM 0 HG2 LYS A 716 4.047 -2.358 -0.401 1.00 33.30 H new ATOM 0 HG3 LYS A 716 2.672 -2.560 -1.468 1.00 33.30 H new ATOM 0 HD2 LYS A 716 3.035 -4.654 -0.274 1.00 24.22 H new ATOM 0 HD3 LYS A 716 3.416 -4.909 -1.966 1.00 24.22 H new ATOM 0 HE2 LYS A 716 5.140 -5.976 -0.638 1.00 63.21 H new ATOM 0 HE3 LYS A 716 5.853 -4.592 -1.442 1.00 63.21 H new ATOM 0 HZ1 LYS A 716 6.449 -4.827 0.924 1.00 54.23 H new ATOM 0 HZ2 LYS A 716 5.742 -3.330 0.546 1.00 54.23 H new ATOM 0 HZ3 LYS A 716 4.831 -4.524 1.338 1.00 54.23 H new ATOM 23 N LEU A 717 3.515 -5.238 -4.330 1.00 54.20 N ATOM 24 CA LEU A 717 3.776 -6.658 -4.388 1.00 14.22 C ATOM 25 C LEU A 717 4.404 -7.073 -5.701 1.00 71.03 C ATOM 26 O LEU A 717 5.438 -7.709 -5.709 1.00 51.13 O ATOM 27 CB LEU A 717 2.512 -7.457 -4.121 1.00 23.53 C ATOM 28 CG LEU A 717 2.664 -8.977 -4.147 1.00 73.43 C ATOM 29 CD1 LEU A 717 3.596 -9.445 -3.041 1.00 0.45 C ATOM 30 CD2 LEU A 717 1.316 -9.646 -4.032 1.00 24.11 C ATOM 0 H LEU A 717 2.534 -4.980 -4.441 1.00 54.20 H new ATOM 0 HA LEU A 717 4.498 -6.878 -3.601 1.00 14.22 H new ATOM 0 HB2 LEU A 717 2.122 -7.167 -3.145 1.00 23.53 H new ATOM 0 HB3 LEU A 717 1.763 -7.174 -4.861 1.00 23.53 H new ATOM 0 HG LEU A 717 3.106 -9.261 -5.102 1.00 73.43 H new ATOM 0 HD11 LEU A 717 3.689 -10.530 -3.079 1.00 0.45 H new ATOM 0 HD12 LEU A 717 4.578 -8.991 -3.176 1.00 0.45 H new ATOM 0 HD13 LEU A 717 3.190 -9.149 -2.074 1.00 0.45 H new ATOM 0 HD21 LEU A 717 1.444 -10.728 -4.052 1.00 24.11 H new ATOM 0 HD22 LEU A 717 0.844 -9.354 -3.094 1.00 24.11 H new ATOM 0 HD23 LEU A 717 0.685 -9.340 -4.867 1.00 24.11 H new ATOM 42 N LEU A 718 3.787 -6.694 -6.801 1.00 51.02 N ATOM 43 CA LEU A 718 4.271 -7.083 -8.136 1.00 61.01 C ATOM 44 C LEU A 718 5.713 -6.658 -8.338 1.00 15.01 C ATOM 45 O LEU A 718 6.529 -7.416 -8.865 1.00 32.31 O ATOM 46 CB LEU A 718 3.371 -6.495 -9.252 1.00 73.15 C ATOM 47 CG LEU A 718 1.978 -7.155 -9.446 1.00 24.43 C ATOM 48 CD1 LEU A 718 1.094 -6.965 -8.225 1.00 42.20 C ATOM 49 CD2 LEU A 718 1.297 -6.610 -10.691 1.00 1.14 C ATOM 0 H LEU A 718 2.947 -6.116 -6.811 1.00 51.02 H new ATOM 0 HA LEU A 718 4.223 -8.170 -8.199 1.00 61.01 H new ATOM 0 HB2 LEU A 718 3.220 -5.436 -9.044 1.00 73.15 H new ATOM 0 HB3 LEU A 718 3.913 -6.560 -10.196 1.00 73.15 H new ATOM 0 HG LEU A 718 2.135 -8.226 -9.575 1.00 24.43 H new ATOM 0 HD11 LEU A 718 0.128 -7.440 -8.398 1.00 42.20 H new ATOM 0 HD12 LEU A 718 1.571 -7.418 -7.356 1.00 42.20 H new ATOM 0 HD13 LEU A 718 0.948 -5.900 -8.044 1.00 42.20 H new ATOM 0 HD21 LEU A 718 0.323 -7.084 -10.810 1.00 1.14 H new ATOM 0 HD22 LEU A 718 1.166 -5.532 -10.592 1.00 1.14 H new ATOM 0 HD23 LEU A 718 1.913 -6.822 -11.565 1.00 1.14 H new ATOM 61 N ILE A 719 6.025 -5.471 -7.895 1.00 42.51 N ATOM 62 CA ILE A 719 7.366 -4.954 -7.994 1.00 43.34 C ATOM 63 C ILE A 719 8.308 -5.679 -7.015 1.00 65.42 C ATOM 64 O ILE A 719 9.446 -6.017 -7.361 1.00 35.44 O ATOM 65 CB ILE A 719 7.402 -3.423 -7.717 1.00 60.55 C ATOM 66 CG1 ILE A 719 6.478 -2.674 -8.701 1.00 3.10 C ATOM 67 CG2 ILE A 719 8.830 -2.883 -7.804 1.00 24.41 C ATOM 68 CD1 ILE A 719 6.782 -2.949 -10.162 1.00 42.30 C ATOM 0 H ILE A 719 5.360 -4.835 -7.456 1.00 42.51 H new ATOM 0 HA ILE A 719 7.708 -5.132 -9.014 1.00 43.34 H new ATOM 0 HB ILE A 719 7.039 -3.254 -6.703 1.00 60.55 H new ATOM 0 HG12 ILE A 719 5.444 -2.953 -8.497 1.00 3.10 H new ATOM 0 HG13 ILE A 719 6.561 -1.603 -8.518 1.00 3.10 H new ATOM 0 HG21 ILE A 719 8.826 -1.811 -7.606 1.00 24.41 H new ATOM 0 HG22 ILE A 719 9.455 -3.386 -7.066 1.00 24.41 H new ATOM 0 HG23 ILE A 719 9.228 -3.067 -8.802 1.00 24.41 H new ATOM 0 HD11 ILE A 719 6.091 -2.387 -10.790 1.00 42.30 H new ATOM 0 HD12 ILE A 719 7.804 -2.644 -10.385 1.00 42.30 H new ATOM 0 HD13 ILE A 719 6.670 -4.014 -10.363 1.00 42.30 H new ATOM 80 N THR A 720 7.822 -5.937 -5.810 1.00 43.30 N ATOM 81 CA THR A 720 8.642 -6.549 -4.789 1.00 35.24 C ATOM 82 C THR A 720 8.968 -8.015 -5.130 1.00 33.34 C ATOM 83 O THR A 720 9.998 -8.512 -4.762 1.00 63.23 O ATOM 84 CB THR A 720 8.005 -6.433 -3.354 1.00 63.12 C ATOM 85 OG1 THR A 720 9.039 -6.296 -2.377 1.00 12.12 O ATOM 86 CG2 THR A 720 7.170 -7.660 -3.017 1.00 50.41 C ATOM 0 H THR A 720 6.866 -5.731 -5.521 1.00 43.30 H new ATOM 0 HA THR A 720 9.577 -5.989 -4.769 1.00 35.24 H new ATOM 0 HB THR A 720 7.357 -5.556 -3.347 1.00 63.12 H new ATOM 0 HG1 THR A 720 8.639 -6.223 -1.485 1.00 12.12 H new ATOM 0 HG21 THR A 720 6.745 -7.548 -2.020 1.00 50.41 H new ATOM 0 HG22 THR A 720 6.366 -7.764 -3.745 1.00 50.41 H new ATOM 0 HG23 THR A 720 7.801 -8.548 -3.044 1.00 50.41 H new ATOM 94 N ILE A 721 8.068 -8.676 -5.847 1.00 1.44 N ATOM 95 CA ILE A 721 8.295 -10.033 -6.305 1.00 63.34 C ATOM 96 C ILE A 721 9.513 -10.086 -7.240 1.00 41.24 C ATOM 97 O ILE A 721 10.306 -11.035 -7.199 1.00 31.34 O ATOM 98 CB ILE A 721 7.048 -10.585 -7.035 1.00 62.31 C ATOM 99 CG1 ILE A 721 5.873 -10.720 -6.051 1.00 14.42 C ATOM 100 CG2 ILE A 721 7.354 -11.930 -7.702 1.00 1.23 C ATOM 101 CD1 ILE A 721 4.564 -11.118 -6.700 1.00 32.14 C ATOM 0 H ILE A 721 7.167 -8.286 -6.124 1.00 1.44 H new ATOM 0 HA ILE A 721 8.489 -10.655 -5.431 1.00 63.34 H new ATOM 0 HB ILE A 721 6.768 -9.880 -7.818 1.00 62.31 H new ATOM 0 HG12 ILE A 721 6.131 -11.461 -5.294 1.00 14.42 H new ATOM 0 HG13 ILE A 721 5.736 -9.770 -5.534 1.00 14.42 H new ATOM 0 HG21 ILE A 721 6.461 -12.297 -8.208 1.00 1.23 H new ATOM 0 HG22 ILE A 721 8.156 -11.802 -8.429 1.00 1.23 H new ATOM 0 HG23 ILE A 721 7.663 -12.650 -6.944 1.00 1.23 H new ATOM 0 HD11 ILE A 721 3.788 -11.191 -5.938 1.00 32.14 H new ATOM 0 HD12 ILE A 721 4.280 -10.366 -7.437 1.00 32.14 H new ATOM 0 HD13 ILE A 721 4.681 -12.083 -7.193 1.00 32.14 H new ATOM 113 N HIS A 722 9.670 -9.057 -8.049 1.00 15.14 N ATOM 114 CA HIS A 722 10.809 -8.970 -8.957 1.00 14.55 C ATOM 115 C HIS A 722 12.078 -8.629 -8.199 1.00 34.42 C ATOM 116 O HIS A 722 13.162 -9.069 -8.553 1.00 12.13 O ATOM 117 CB HIS A 722 10.551 -7.953 -10.074 1.00 34.12 C ATOM 118 CG HIS A 722 9.619 -8.454 -11.149 1.00 30.32 C ATOM 119 ND1 HIS A 722 10.041 -8.788 -12.417 1.00 22.34 N ATOM 120 CD2 HIS A 722 8.287 -8.680 -11.135 1.00 63.21 C ATOM 121 CE1 HIS A 722 9.014 -9.194 -13.129 1.00 64.43 C ATOM 122 NE2 HIS A 722 7.940 -9.139 -12.379 1.00 75.54 N ATOM 0 H HIS A 722 9.027 -8.267 -8.100 1.00 15.14 H new ATOM 0 HA HIS A 722 10.942 -9.948 -9.421 1.00 14.55 H new ATOM 0 HB2 HIS A 722 10.133 -7.046 -9.637 1.00 34.12 H new ATOM 0 HB3 HIS A 722 11.502 -7.678 -10.530 1.00 34.12 H new ATOM 0 HD2 HIS A 722 7.620 -8.527 -10.299 1.00 63.21 H new ATOM 0 HE1 HIS A 722 9.049 -9.518 -14.159 1.00 64.43 H new ATOM 0 HE2 HIS A 722 6.998 -9.396 -12.674 1.00 75.54 H new ATOM 131 N ASP A 723 11.927 -7.878 -7.133 1.00 54.00 N ATOM 132 CA ASP A 723 13.062 -7.505 -6.287 1.00 5.12 C ATOM 133 C ASP A 723 13.376 -8.606 -5.316 1.00 53.43 C ATOM 134 O ASP A 723 14.444 -8.637 -4.710 1.00 71.10 O ATOM 135 CB ASP A 723 12.756 -6.234 -5.533 1.00 3.45 C ATOM 136 CG ASP A 723 13.567 -5.075 -6.012 1.00 12.33 C ATOM 137 OD1 ASP A 723 13.315 -4.590 -7.132 1.00 54.23 O ATOM 138 OD2 ASP A 723 14.456 -4.627 -5.271 1.00 75.10 O ATOM 0 H ASP A 723 11.030 -7.507 -6.821 1.00 54.00 H new ATOM 0 HA ASP A 723 13.928 -7.340 -6.928 1.00 5.12 H new ATOM 0 HB2 ASP A 723 11.697 -6.000 -5.637 1.00 3.45 H new ATOM 0 HB3 ASP A 723 12.945 -6.391 -4.471 1.00 3.45 H new ATOM 143 N ARG A 724 12.442 -9.507 -5.167 1.00 61.43 N ATOM 144 CA ARG A 724 12.603 -10.660 -4.333 1.00 23.42 C ATOM 145 C ARG A 724 13.619 -11.619 -4.936 1.00 0.31 C ATOM 146 O ARG A 724 14.224 -12.425 -4.229 1.00 32.31 O ATOM 147 CB ARG A 724 11.266 -11.351 -4.123 1.00 21.35 C ATOM 148 CG ARG A 724 11.255 -12.327 -2.985 1.00 54.02 C ATOM 149 CD ARG A 724 9.879 -12.860 -2.751 1.00 54.03 C ATOM 150 NE ARG A 724 9.814 -13.681 -1.546 1.00 74.11 N ATOM 151 CZ ARG A 724 8.685 -14.137 -1.009 1.00 34.20 C ATOM 152 NH1 ARG A 724 7.526 -13.971 -1.648 1.00 5.03 N ATOM 153 NH2 ARG A 724 8.721 -14.792 0.139 1.00 53.50 N ATOM 0 H ARG A 724 11.535 -9.456 -5.631 1.00 61.43 H new ATOM 0 HA ARG A 724 12.978 -10.337 -3.362 1.00 23.42 H new ATOM 0 HB2 ARG A 724 10.502 -10.594 -3.946 1.00 21.35 H new ATOM 0 HB3 ARG A 724 10.991 -11.874 -5.039 1.00 21.35 H new ATOM 0 HG2 ARG A 724 11.936 -13.150 -3.201 1.00 54.02 H new ATOM 0 HG3 ARG A 724 11.619 -11.840 -2.080 1.00 54.02 H new ATOM 0 HD2 ARG A 724 9.178 -12.030 -2.664 1.00 54.03 H new ATOM 0 HD3 ARG A 724 9.567 -13.452 -3.612 1.00 54.03 H new ATOM 0 HE ARG A 724 10.692 -13.921 -1.085 1.00 74.11 H new ATOM 0 HH11 ARG A 724 7.504 -13.494 -2.549 1.00 5.03 H new ATOM 0 HH12 ARG A 724 6.661 -14.321 -1.235 1.00 5.03 H new ATOM 0 HH21 ARG A 724 9.612 -14.946 0.610 1.00 53.50 H new ATOM 0 HH22 ARG A 724 7.857 -15.143 0.553 1.00 53.50 H new ATOM 167 N LYS A 725 13.796 -11.536 -6.248 1.00 71.34 N ATOM 168 CA LYS A 725 14.859 -12.268 -6.910 1.00 5.32 C ATOM 169 C LYS A 725 16.196 -11.663 -6.544 1.00 31.31 C ATOM 170 O LYS A 725 17.148 -12.370 -6.237 1.00 14.14 O ATOM 171 CB LYS A 725 14.694 -12.242 -8.447 1.00 24.30 C ATOM 172 CG LYS A 725 13.900 -13.414 -9.062 1.00 73.00 C ATOM 173 CD LYS A 725 12.394 -13.269 -8.892 1.00 12.20 C ATOM 174 CE LYS A 725 11.902 -13.868 -7.598 1.00 32.13 C ATOM 175 NZ LYS A 725 10.438 -13.784 -7.492 1.00 44.21 N ATOM 0 H LYS A 725 13.218 -10.971 -6.870 1.00 71.34 H new ATOM 0 HA LYS A 725 14.809 -13.305 -6.577 1.00 5.32 H new ATOM 0 HB2 LYS A 725 14.201 -11.310 -8.724 1.00 24.30 H new ATOM 0 HB3 LYS A 725 15.686 -12.224 -8.899 1.00 24.30 H new ATOM 0 HG2 LYS A 725 14.135 -13.486 -10.124 1.00 73.00 H new ATOM 0 HG3 LYS A 725 14.224 -14.347 -8.600 1.00 73.00 H new ATOM 0 HD2 LYS A 725 12.127 -12.213 -8.925 1.00 12.20 H new ATOM 0 HD3 LYS A 725 11.888 -13.752 -9.728 1.00 12.20 H new ATOM 0 HE2 LYS A 725 12.214 -14.911 -7.536 1.00 32.13 H new ATOM 0 HE3 LYS A 725 12.360 -13.348 -6.757 1.00 32.13 H new ATOM 0 HZ1 LYS A 725 10.113 -14.376 -6.701 1.00 44.21 H new ATOM 0 HZ2 LYS A 725 10.158 -12.797 -7.323 1.00 44.21 H new ATOM 0 HZ3 LYS A 725 10.006 -14.120 -8.377 1.00 44.21 H new ATOM 189 N GLU A 726 16.250 -10.350 -6.567 1.00 54.55 N ATOM 190 CA GLU A 726 17.464 -9.629 -6.290 1.00 24.32 C ATOM 191 C GLU A 726 17.769 -9.600 -4.821 1.00 33.35 C ATOM 192 O GLU A 726 18.522 -10.422 -4.312 1.00 42.42 O ATOM 193 CB GLU A 726 17.362 -8.191 -6.795 1.00 45.54 C ATOM 194 CG GLU A 726 17.171 -8.059 -8.254 1.00 30.14 C ATOM 195 CD GLU A 726 18.351 -8.577 -9.037 1.00 45.12 C ATOM 196 OE1 GLU A 726 19.359 -7.863 -9.128 1.00 25.11 O ATOM 197 OE2 GLU A 726 18.281 -9.706 -9.559 1.00 21.12 O ATOM 0 H GLU A 726 15.450 -9.754 -6.779 1.00 54.55 H new ATOM 0 HA GLU A 726 18.268 -10.152 -6.808 1.00 24.32 H new ATOM 0 HB2 GLU A 726 16.531 -7.701 -6.288 1.00 45.54 H new ATOM 0 HB3 GLU A 726 18.268 -7.656 -6.511 1.00 45.54 H new ATOM 0 HG2 GLU A 726 16.274 -8.603 -8.551 1.00 30.14 H new ATOM 0 HG3 GLU A 726 17.005 -7.011 -8.503 1.00 30.14 H new ATOM 204 N PHE A 727 17.174 -8.668 -4.152 1.00 73.10 N ATOM 205 CA PHE A 727 17.511 -8.364 -2.817 1.00 4.40 C ATOM 206 C PHE A 727 16.891 -9.322 -1.819 1.00 61.32 C ATOM 207 O PHE A 727 17.599 -9.939 -1.021 1.00 61.23 O ATOM 208 CB PHE A 727 17.147 -6.931 -2.500 1.00 33.34 C ATOM 209 CG PHE A 727 17.449 -6.537 -1.081 1.00 5.41 C ATOM 210 CD1 PHE A 727 18.701 -6.773 -0.532 1.00 21.21 C ATOM 211 CD2 PHE A 727 16.487 -5.939 -0.301 1.00 20.41 C ATOM 212 CE1 PHE A 727 18.978 -6.418 0.764 1.00 34.43 C ATOM 213 CE2 PHE A 727 16.760 -5.581 0.995 1.00 13.34 C ATOM 214 CZ PHE A 727 18.008 -5.821 1.530 1.00 43.40 C ATOM 0 H PHE A 727 16.426 -8.090 -4.534 1.00 73.10 H new ATOM 0 HA PHE A 727 18.590 -8.486 -2.721 1.00 4.40 H new ATOM 0 HB2 PHE A 727 17.688 -6.269 -3.176 1.00 33.34 H new ATOM 0 HB3 PHE A 727 16.084 -6.783 -2.692 1.00 33.34 H new ATOM 0 HD1 PHE A 727 19.467 -7.242 -1.132 1.00 21.21 H new ATOM 0 HD2 PHE A 727 15.507 -5.749 -0.713 1.00 20.41 H new ATOM 0 HE1 PHE A 727 19.956 -6.608 1.180 1.00 34.43 H new ATOM 0 HE2 PHE A 727 15.997 -5.111 1.597 1.00 13.34 H new ATOM 0 HZ PHE A 727 18.222 -5.540 2.550 1.00 43.40 H new ATOM 224 N ALA A 728 15.572 -9.456 -1.870 1.00 71.13 N ATOM 225 CA ALA A 728 14.835 -10.216 -0.849 1.00 62.24 C ATOM 226 C ALA A 728 15.330 -11.646 -0.712 1.00 50.23 C ATOM 227 O ALA A 728 15.331 -12.189 0.362 1.00 34.14 O ATOM 228 CB ALA A 728 13.358 -10.194 -1.118 1.00 53.13 C ATOM 0 H ALA A 728 14.986 -9.053 -2.601 1.00 71.13 H new ATOM 0 HA ALA A 728 15.025 -9.718 0.102 1.00 62.24 H new ATOM 0 HB1 ALA A 728 12.839 -10.764 -0.347 1.00 53.13 H new ATOM 0 HB2 ALA A 728 13.002 -9.164 -1.109 1.00 53.13 H new ATOM 0 HB3 ALA A 728 13.159 -10.638 -2.093 1.00 53.13 H new ATOM 234 N LYS A 729 15.775 -12.237 -1.813 1.00 73.13 N ATOM 235 CA LYS A 729 16.252 -13.620 -1.799 1.00 64.31 C ATOM 236 C LYS A 729 17.407 -13.789 -0.796 1.00 51.23 C ATOM 237 O LYS A 729 17.582 -14.857 -0.200 1.00 3.13 O ATOM 238 CB LYS A 729 16.702 -14.051 -3.211 1.00 63.14 C ATOM 239 CG LYS A 729 16.922 -15.564 -3.382 1.00 4.40 C ATOM 240 CD LYS A 729 15.609 -16.341 -3.749 1.00 13.41 C ATOM 241 CE LYS A 729 14.511 -16.215 -2.681 1.00 31.11 C ATOM 242 NZ LYS A 729 13.652 -15.021 -2.890 1.00 23.13 N ATOM 0 H LYS A 729 15.817 -11.785 -2.726 1.00 73.13 H new ATOM 0 HA LYS A 729 15.428 -14.260 -1.485 1.00 64.31 H new ATOM 0 HB2 LYS A 729 15.953 -13.723 -3.932 1.00 63.14 H new ATOM 0 HB3 LYS A 729 17.629 -13.533 -3.456 1.00 63.14 H new ATOM 0 HG2 LYS A 729 17.665 -15.731 -4.162 1.00 4.40 H new ATOM 0 HG3 LYS A 729 17.332 -15.972 -2.458 1.00 4.40 H new ATOM 0 HD2 LYS A 729 15.227 -15.967 -4.699 1.00 13.41 H new ATOM 0 HD3 LYS A 729 15.847 -17.395 -3.894 1.00 13.41 H new ATOM 0 HE2 LYS A 729 13.891 -17.112 -2.693 1.00 31.11 H new ATOM 0 HE3 LYS A 729 14.972 -16.160 -1.695 1.00 31.11 H new ATOM 0 HZ1 LYS A 729 13.439 -14.582 -1.972 1.00 23.13 H new ATOM 0 HZ2 LYS A 729 14.150 -14.336 -3.494 1.00 23.13 H new ATOM 0 HZ3 LYS A 729 12.765 -15.308 -3.351 1.00 23.13 H new ATOM 256 N PHE A 730 18.152 -12.725 -0.602 1.00 64.43 N ATOM 257 CA PHE A 730 19.280 -12.715 0.300 1.00 22.32 C ATOM 258 C PHE A 730 18.842 -12.666 1.737 1.00 3.01 C ATOM 259 O PHE A 730 19.309 -13.453 2.563 1.00 34.25 O ATOM 260 CB PHE A 730 20.168 -11.537 0.003 1.00 31.21 C ATOM 261 CG PHE A 730 21.068 -11.737 -1.167 1.00 21.22 C ATOM 262 CD1 PHE A 730 20.549 -11.835 -2.442 1.00 32.22 C ATOM 263 CD2 PHE A 730 22.432 -11.833 -0.997 1.00 42.24 C ATOM 264 CE1 PHE A 730 21.375 -12.024 -3.529 1.00 35.44 C ATOM 265 CE2 PHE A 730 23.265 -12.022 -2.077 1.00 51.00 C ATOM 266 CZ PHE A 730 22.735 -12.116 -3.346 1.00 23.13 C ATOM 0 H PHE A 730 17.990 -11.834 -1.071 1.00 64.43 H new ATOM 0 HA PHE A 730 19.833 -13.642 0.146 1.00 22.32 H new ATOM 0 HB2 PHE A 730 19.545 -10.661 -0.177 1.00 31.21 H new ATOM 0 HB3 PHE A 730 20.775 -11.321 0.883 1.00 31.21 H new ATOM 0 HD1 PHE A 730 19.482 -11.763 -2.590 1.00 32.22 H new ATOM 0 HD2 PHE A 730 22.853 -11.759 -0.005 1.00 42.24 H new ATOM 0 HE1 PHE A 730 20.956 -12.100 -4.521 1.00 35.44 H new ATOM 0 HE2 PHE A 730 24.332 -12.097 -1.930 1.00 51.00 H new ATOM 0 HZ PHE A 730 23.386 -12.262 -4.195 1.00 23.13 H new ATOM 276 N GLU A 731 17.957 -11.746 2.047 1.00 42.24 N ATOM 277 CA GLU A 731 17.478 -11.605 3.403 1.00 51.54 C ATOM 278 C GLU A 731 16.657 -12.819 3.800 1.00 24.20 C ATOM 279 O GLU A 731 16.647 -13.214 4.947 1.00 4.21 O ATOM 280 CB GLU A 731 16.661 -10.322 3.568 1.00 73.33 C ATOM 281 CG GLU A 731 15.369 -10.317 2.797 1.00 50.11 C ATOM 282 CD GLU A 731 14.603 -9.038 2.953 1.00 74.22 C ATOM 283 OE1 GLU A 731 14.876 -8.090 2.219 1.00 75.22 O ATOM 284 OE2 GLU A 731 13.712 -8.977 3.824 1.00 1.51 O ATOM 0 H GLU A 731 17.555 -11.086 1.381 1.00 42.24 H new ATOM 0 HA GLU A 731 18.342 -11.537 4.064 1.00 51.54 H new ATOM 0 HB2 GLU A 731 16.442 -10.176 4.626 1.00 73.33 H new ATOM 0 HB3 GLU A 731 17.267 -9.474 3.248 1.00 73.33 H new ATOM 0 HG2 GLU A 731 15.581 -10.481 1.741 1.00 50.11 H new ATOM 0 HG3 GLU A 731 14.749 -11.149 3.131 1.00 50.11 H new ATOM 291 N GLU A 732 15.989 -13.428 2.809 1.00 25.35 N ATOM 292 CA GLU A 732 15.183 -14.604 3.032 1.00 42.51 C ATOM 293 C GLU A 732 16.013 -15.751 3.507 1.00 52.23 C ATOM 294 O GLU A 732 15.539 -16.584 4.224 1.00 50.23 O ATOM 295 CB GLU A 732 14.362 -14.985 1.800 1.00 2.31 C ATOM 296 CG GLU A 732 13.221 -14.018 1.504 1.00 5.31 C ATOM 297 CD GLU A 732 12.221 -14.571 0.522 1.00 33.11 C ATOM 298 OE1 GLU A 732 12.410 -14.395 -0.693 1.00 54.32 O ATOM 299 OE2 GLU A 732 11.222 -15.182 0.965 1.00 52.10 O ATOM 0 H GLU A 732 16.002 -13.109 1.840 1.00 25.35 H new ATOM 0 HA GLU A 732 14.474 -14.355 3.821 1.00 42.51 H new ATOM 0 HB2 GLU A 732 15.022 -15.031 0.934 1.00 2.31 H new ATOM 0 HB3 GLU A 732 13.952 -15.985 1.942 1.00 2.31 H new ATOM 0 HG2 GLU A 732 12.710 -13.772 2.435 1.00 5.31 H new ATOM 0 HG3 GLU A 732 13.633 -13.088 1.111 1.00 5.31 H new ATOM 306 N GLU A 733 17.274 -15.791 3.089 1.00 43.22 N ATOM 307 CA GLU A 733 18.199 -16.792 3.598 1.00 71.34 C ATOM 308 C GLU A 733 18.250 -16.724 5.110 1.00 33.32 C ATOM 309 O GLU A 733 18.085 -17.728 5.792 1.00 10.44 O ATOM 310 CB GLU A 733 19.594 -16.564 3.046 1.00 74.35 C ATOM 311 CG GLU A 733 19.714 -16.760 1.569 1.00 61.30 C ATOM 312 CD GLU A 733 21.108 -16.489 1.075 1.00 2.32 C ATOM 313 OE1 GLU A 733 22.019 -17.253 1.431 1.00 2.54 O ATOM 314 OE2 GLU A 733 21.309 -15.499 0.333 1.00 23.34 O ATOM 0 H GLU A 733 17.674 -15.148 2.406 1.00 43.22 H new ATOM 0 HA GLU A 733 17.846 -17.774 3.281 1.00 71.34 H new ATOM 0 HB2 GLU A 733 19.907 -15.549 3.292 1.00 74.35 H new ATOM 0 HB3 GLU A 733 20.285 -17.242 3.547 1.00 74.35 H new ATOM 0 HG2 GLU A 733 19.432 -17.782 1.315 1.00 61.30 H new ATOM 0 HG3 GLU A 733 19.014 -16.100 1.058 1.00 61.30 H new ATOM 321 N ARG A 734 18.474 -15.531 5.621 1.00 74.14 N ATOM 322 CA ARG A 734 18.550 -15.312 7.053 1.00 52.21 C ATOM 323 C ARG A 734 17.171 -15.385 7.694 1.00 2.11 C ATOM 324 O ARG A 734 17.015 -15.924 8.773 1.00 44.44 O ATOM 325 CB ARG A 734 19.215 -13.969 7.361 1.00 32.22 C ATOM 326 CG ARG A 734 20.546 -13.765 6.657 1.00 73.12 C ATOM 327 CD ARG A 734 21.489 -14.943 6.879 1.00 3.24 C ATOM 328 NE ARG A 734 21.950 -15.053 8.269 1.00 40.01 N ATOM 329 CZ ARG A 734 22.982 -15.829 8.660 1.00 72.14 C ATOM 330 NH1 ARG A 734 23.648 -16.567 7.762 1.00 25.30 N ATOM 331 NH2 ARG A 734 23.346 -15.860 9.929 1.00 12.32 N ATOM 0 H ARG A 734 18.608 -14.690 5.060 1.00 74.14 H new ATOM 0 HA ARG A 734 19.162 -16.106 7.480 1.00 52.21 H new ATOM 0 HB2 ARG A 734 18.537 -13.165 7.075 1.00 32.22 H new ATOM 0 HB3 ARG A 734 19.368 -13.889 8.437 1.00 32.22 H new ATOM 0 HG2 ARG A 734 20.376 -13.632 5.589 1.00 73.12 H new ATOM 0 HG3 ARG A 734 21.014 -12.851 7.022 1.00 73.12 H new ATOM 0 HD2 ARG A 734 20.982 -15.866 6.596 1.00 3.24 H new ATOM 0 HD3 ARG A 734 22.353 -14.839 6.222 1.00 3.24 H new ATOM 0 HE ARG A 734 21.461 -14.511 8.981 1.00 40.01 H new ATOM 0 HH11 ARG A 734 23.375 -16.543 6.779 1.00 25.30 H new ATOM 0 HH12 ARG A 734 24.428 -17.153 8.061 1.00 25.30 H new ATOM 0 HH21 ARG A 734 22.846 -15.296 10.617 1.00 12.32 H new ATOM 0 HH22 ARG A 734 24.127 -16.448 10.221 1.00 12.32 H new ATOM 345 N ALA A 735 16.179 -14.842 7.003 1.00 33.43 N ATOM 346 CA ALA A 735 14.805 -14.795 7.497 1.00 14.14 C ATOM 347 C ALA A 735 14.201 -16.197 7.595 1.00 74.43 C ATOM 348 O ALA A 735 13.476 -16.507 8.535 1.00 22.24 O ATOM 349 CB ALA A 735 13.949 -13.900 6.591 1.00 44.53 C ATOM 0 H ALA A 735 16.301 -14.420 6.082 1.00 33.43 H new ATOM 0 HA ALA A 735 14.819 -14.371 8.501 1.00 14.14 H new ATOM 0 HB1 ALA A 735 12.927 -13.872 6.968 1.00 44.53 H new ATOM 0 HB2 ALA A 735 14.361 -12.891 6.583 1.00 44.53 H new ATOM 0 HB3 ALA A 735 13.951 -14.301 5.577 1.00 44.53 H new ATOM 355 N ARG A 736 14.504 -17.031 6.631 1.00 30.21 N ATOM 356 CA ARG A 736 13.992 -18.397 6.623 1.00 52.24 C ATOM 357 C ARG A 736 14.893 -19.331 7.453 1.00 34.11 C ATOM 358 O ARG A 736 14.543 -20.479 7.704 1.00 51.14 O ATOM 359 CB ARG A 736 13.900 -18.929 5.195 1.00 54.41 C ATOM 360 CG ARG A 736 12.926 -20.072 5.030 1.00 23.13 C ATOM 361 CD ARG A 736 13.238 -20.889 3.813 1.00 52.11 C ATOM 362 NE ARG A 736 14.393 -21.768 4.026 1.00 12.51 N ATOM 363 CZ ARG A 736 14.959 -22.503 3.085 1.00 40.54 C ATOM 364 NH1 ARG A 736 14.540 -22.424 1.851 1.00 71.12 N ATOM 365 NH2 ARG A 736 15.956 -23.297 3.383 1.00 72.02 N ATOM 0 H ARG A 736 15.101 -16.797 5.838 1.00 30.21 H new ATOM 0 HA ARG A 736 12.997 -18.376 7.067 1.00 52.24 H new ATOM 0 HB2 ARG A 736 13.606 -18.115 4.533 1.00 54.41 H new ATOM 0 HB3 ARG A 736 14.889 -19.258 4.876 1.00 54.41 H new ATOM 0 HG2 ARG A 736 12.957 -20.708 5.914 1.00 23.13 H new ATOM 0 HG3 ARG A 736 11.912 -19.679 4.956 1.00 23.13 H new ATOM 0 HD2 ARG A 736 12.369 -21.490 3.546 1.00 52.11 H new ATOM 0 HD3 ARG A 736 13.437 -20.225 2.971 1.00 52.11 H new ATOM 0 HE ARG A 736 14.787 -21.815 4.966 1.00 12.51 H new ATOM 0 HH11 ARG A 736 13.774 -21.794 1.612 1.00 71.12 H new ATOM 0 HH12 ARG A 736 14.978 -22.992 1.126 1.00 71.12 H new ATOM 0 HH21 ARG A 736 16.297 -23.349 4.343 1.00 72.02 H new ATOM 0 HH22 ARG A 736 16.392 -23.864 2.655 1.00 72.02 H new ATOM 379 N ALA A 737 16.049 -18.835 7.859 1.00 41.53 N ATOM 380 CA ALA A 737 17.013 -19.645 8.605 1.00 50.42 C ATOM 381 C ALA A 737 16.462 -20.086 9.969 1.00 73.12 C ATOM 382 O ALA A 737 16.628 -21.239 10.374 1.00 74.22 O ATOM 383 CB ALA A 737 18.325 -18.895 8.766 1.00 24.13 C ATOM 0 H ALA A 737 16.349 -17.875 7.687 1.00 41.53 H new ATOM 0 HA ALA A 737 17.197 -20.551 8.027 1.00 50.42 H new ATOM 0 HB1 ALA A 737 19.031 -19.512 9.323 1.00 24.13 H new ATOM 0 HB2 ALA A 737 18.738 -18.669 7.783 1.00 24.13 H new ATOM 0 HB3 ALA A 737 18.149 -17.966 9.308 1.00 24.13 H new ATOM 389 N LYS A 738 15.809 -19.183 10.653 1.00 13.23 N ATOM 390 CA LYS A 738 15.280 -19.459 11.975 1.00 22.13 C ATOM 391 C LYS A 738 13.773 -19.345 11.988 1.00 2.03 C ATOM 392 O LYS A 738 13.086 -20.055 12.731 1.00 54.35 O ATOM 393 CB LYS A 738 15.878 -18.487 12.994 1.00 72.35 C ATOM 394 CG LYS A 738 17.391 -18.543 13.102 1.00 62.34 C ATOM 395 CD LYS A 738 17.863 -19.906 13.566 1.00 22.42 C ATOM 396 CE LYS A 738 19.365 -19.945 13.720 1.00 25.24 C ATOM 397 NZ LYS A 738 19.848 -18.954 14.704 1.00 70.24 N ATOM 0 H LYS A 738 15.626 -18.238 10.316 1.00 13.23 H new ATOM 0 HA LYS A 738 15.554 -20.479 12.243 1.00 22.13 H new ATOM 0 HB2 LYS A 738 15.582 -17.472 12.727 1.00 72.35 H new ATOM 0 HB3 LYS A 738 15.448 -18.697 13.973 1.00 72.35 H new ATOM 0 HG2 LYS A 738 17.835 -18.313 12.133 1.00 62.34 H new ATOM 0 HG3 LYS A 738 17.736 -17.780 13.800 1.00 62.34 H new ATOM 0 HD2 LYS A 738 17.392 -20.152 14.518 1.00 22.42 H new ATOM 0 HD3 LYS A 738 17.549 -20.665 12.849 1.00 22.42 H new ATOM 0 HE2 LYS A 738 19.671 -20.944 14.031 1.00 25.24 H new ATOM 0 HE3 LYS A 738 19.833 -19.755 12.754 1.00 25.24 H new ATOM 0 HZ1 LYS A 738 20.823 -19.187 14.981 1.00 70.24 H new ATOM 0 HZ2 LYS A 738 19.826 -18.005 14.280 1.00 70.24 H new ATOM 0 HZ3 LYS A 738 19.235 -18.972 15.544 1.00 70.24 H new ATOM 411 N TRP A 739 13.257 -18.468 11.170 1.00 61.31 N ATOM 412 CA TRP A 739 11.843 -18.199 11.135 1.00 43.42 C ATOM 413 C TRP A 739 11.270 -18.536 9.783 1.00 42.40 C ATOM 414 O TRP A 739 10.493 -17.760 9.194 1.00 73.03 O ATOM 415 CB TRP A 739 11.575 -16.747 11.509 1.00 12.11 C ATOM 416 CG TRP A 739 12.059 -16.418 12.882 1.00 71.32 C ATOM 417 CD1 TRP A 739 13.345 -16.188 13.254 1.00 12.35 C ATOM 418 CD2 TRP A 739 11.271 -16.290 14.064 1.00 32.54 C ATOM 419 NE1 TRP A 739 13.414 -15.951 14.584 1.00 4.51 N ATOM 420 CE2 TRP A 739 12.152 -15.996 15.114 1.00 22.31 C ATOM 421 CE3 TRP A 739 9.906 -16.399 14.339 1.00 12.05 C ATOM 422 CZ2 TRP A 739 11.719 -15.809 16.420 1.00 4.23 C ATOM 423 CZ3 TRP A 739 9.475 -16.211 15.635 1.00 5.34 C ATOM 424 CH2 TRP A 739 10.378 -15.918 16.661 1.00 1.44 C ATOM 0 H TRP A 739 13.805 -17.919 10.508 1.00 61.31 H new ATOM 0 HA TRP A 739 11.345 -18.833 11.868 1.00 43.42 H new ATOM 0 HB2 TRP A 739 12.063 -16.092 10.787 1.00 12.11 H new ATOM 0 HB3 TRP A 739 10.505 -16.549 11.446 1.00 12.11 H new ATOM 0 HD1 TRP A 739 14.192 -16.194 12.584 1.00 12.35 H new ATOM 0 HE1 TRP A 739 14.269 -15.768 15.108 1.00 4.51 H new ATOM 0 HE3 TRP A 739 9.202 -16.626 13.552 1.00 12.05 H new ATOM 0 HZ2 TRP A 739 12.415 -15.586 17.215 1.00 4.23 H new ATOM 0 HZ3 TRP A 739 8.422 -16.291 15.861 1.00 5.34 H new ATOM 0 HH2 TRP A 739 10.008 -15.775 17.666 1.00 1.44 H new ATOM 435 N ASP A 740 11.649 -19.699 9.294 1.00 44.40 N ATOM 436 CA ASP A 740 11.159 -20.238 8.023 1.00 54.51 C ATOM 437 C ASP A 740 9.630 -20.213 7.934 1.00 31.51 C ATOM 438 O ASP A 740 9.074 -19.835 6.914 1.00 41.14 O ATOM 439 CB ASP A 740 11.685 -21.683 7.806 1.00 52.04 C ATOM 440 CG ASP A 740 11.262 -22.650 8.898 1.00 73.22 C ATOM 441 OD1 ASP A 740 11.939 -22.690 9.965 1.00 54.34 O ATOM 442 OD2 ASP A 740 10.261 -23.370 8.706 1.00 70.41 O ATOM 0 H ASP A 740 12.314 -20.311 9.767 1.00 44.40 H new ATOM 0 HA ASP A 740 11.543 -19.593 7.232 1.00 54.51 H new ATOM 0 HB2 ASP A 740 11.326 -22.052 6.845 1.00 52.04 H new ATOM 0 HB3 ASP A 740 12.773 -21.661 7.752 1.00 52.04 H new ATOM 447 N THR A 741 8.973 -20.598 9.001 1.00 12.00 N ATOM 448 CA THR A 741 7.523 -20.663 9.030 1.00 32.01 C ATOM 449 C THR A 741 6.897 -19.255 9.198 1.00 34.42 C ATOM 450 O THR A 741 5.737 -19.022 8.826 1.00 13.30 O ATOM 451 CB THR A 741 7.024 -21.611 10.177 1.00 13.13 C ATOM 452 OG1 THR A 741 5.594 -21.693 10.174 1.00 12.42 O ATOM 453 CG2 THR A 741 7.501 -21.120 11.537 1.00 1.51 C ATOM 0 H THR A 741 9.422 -20.875 9.874 1.00 12.00 H new ATOM 0 HA THR A 741 7.199 -21.071 8.073 1.00 32.01 H new ATOM 0 HB THR A 741 7.442 -22.601 9.994 1.00 13.13 H new ATOM 0 HG1 THR A 741 5.299 -22.289 10.894 1.00 12.42 H new ATOM 0 HG21 THR A 741 7.141 -21.795 12.314 1.00 1.51 H new ATOM 0 HG22 THR A 741 8.591 -21.096 11.553 1.00 1.51 H new ATOM 0 HG23 THR A 741 7.113 -20.118 11.719 1.00 1.51 H new ATOM 461 N ALA A 742 7.674 -18.333 9.732 1.00 23.31 N ATOM 462 CA ALA A 742 7.169 -17.014 10.064 1.00 4.04 C ATOM 463 C ALA A 742 7.187 -16.078 8.868 1.00 3.42 C ATOM 464 O ALA A 742 6.275 -15.255 8.697 1.00 14.44 O ATOM 465 CB ALA A 742 7.958 -16.421 11.210 1.00 74.04 C ATOM 0 H ALA A 742 8.661 -18.473 9.946 1.00 23.31 H new ATOM 0 HA ALA A 742 6.129 -17.131 10.369 1.00 4.04 H new ATOM 0 HB1 ALA A 742 7.567 -15.432 11.447 1.00 74.04 H new ATOM 0 HB2 ALA A 742 7.869 -17.065 12.085 1.00 74.04 H new ATOM 0 HB3 ALA A 742 9.007 -16.338 10.925 1.00 74.04 H new ATOM 471 N ASN A 743 8.211 -16.186 8.045 1.00 70.13 N ATOM 472 CA ASN A 743 8.347 -15.279 6.902 1.00 23.33 C ATOM 473 C ASN A 743 7.895 -15.938 5.632 1.00 4.40 C ATOM 474 O ASN A 743 7.288 -15.297 4.765 1.00 75.13 O ATOM 475 CB ASN A 743 9.806 -14.831 6.741 1.00 63.51 C ATOM 476 CG ASN A 743 10.360 -14.156 7.966 1.00 2.24 C ATOM 477 OD1 ASN A 743 10.242 -12.952 8.130 1.00 54.13 O ATOM 478 ND2 ASN A 743 10.977 -14.923 8.820 1.00 71.43 N ATOM 0 H ASN A 743 8.955 -16.878 8.136 1.00 70.13 H new ATOM 0 HA ASN A 743 7.717 -14.411 7.096 1.00 23.33 H new ATOM 0 HB2 ASN A 743 10.421 -15.699 6.503 1.00 63.51 H new ATOM 0 HB3 ASN A 743 9.878 -14.148 5.895 1.00 63.51 H new ATOM 0 HD21 ASN A 743 11.384 -14.522 9.665 1.00 71.43 H new ATOM 0 HD22 ASN A 743 11.053 -15.925 8.644 1.00 71.43 H new ATOM 485 N ASN A 744 8.177 -17.207 5.510 1.00 22.43 N ATOM 486 CA ASN A 744 7.789 -17.956 4.343 1.00 64.11 C ATOM 487 C ASN A 744 6.617 -18.828 4.632 1.00 51.31 C ATOM 488 O ASN A 744 6.463 -19.319 5.749 1.00 75.00 O ATOM 489 CB ASN A 744 8.947 -18.783 3.799 1.00 31.21 C ATOM 490 CG ASN A 744 10.049 -17.926 3.220 1.00 34.45 C ATOM 491 OD1 ASN A 744 11.019 -17.582 3.906 1.00 71.24 O ATOM 492 ND2 ASN A 744 9.906 -17.559 1.965 1.00 62.01 N ATOM 0 H ASN A 744 8.680 -17.750 6.212 1.00 22.43 H new ATOM 0 HA ASN A 744 7.502 -17.236 3.577 1.00 64.11 H new ATOM 0 HB2 ASN A 744 9.354 -19.402 4.599 1.00 31.21 H new ATOM 0 HB3 ASN A 744 8.576 -19.460 3.030 1.00 31.21 H new ATOM 0 HD21 ASN A 744 10.611 -16.969 1.523 1.00 62.01 H new ATOM 0 HD22 ASN A 744 9.091 -17.865 1.434 1.00 62.01 H new ATOM 499 N PRO A 745 5.761 -19.039 3.647 1.00 65.41 N ATOM 500 CA PRO A 745 4.627 -19.918 3.790 1.00 3.43 C ATOM 501 C PRO A 745 5.042 -21.388 3.900 1.00 12.33 C ATOM 502 O PRO A 745 5.097 -21.956 4.995 1.00 53.32 O ATOM 503 CB PRO A 745 3.811 -19.675 2.501 1.00 24.42 C ATOM 504 CG PRO A 745 4.806 -19.161 1.517 1.00 43.52 C ATOM 505 CD PRO A 745 5.819 -18.406 2.306 1.00 12.32 C ATOM 0 HA PRO A 745 4.067 -19.714 4.702 1.00 3.43 H new ATOM 0 HB2 PRO A 745 3.344 -20.594 2.149 1.00 24.42 H new ATOM 0 HB3 PRO A 745 3.011 -18.954 2.669 1.00 24.42 H new ATOM 0 HG2 PRO A 745 5.271 -19.981 0.969 1.00 43.52 H new ATOM 0 HG3 PRO A 745 4.327 -18.516 0.780 1.00 43.52 H new ATOM 0 HD2 PRO A 745 6.813 -18.489 1.866 1.00 12.32 H new ATOM 0 HD3 PRO A 745 5.579 -17.344 2.354 1.00 12.32 H new ATOM 513 N LEU A 746 5.361 -21.966 2.790 1.00 64.24 N ATOM 514 CA LEU A 746 5.619 -23.367 2.707 1.00 73.02 C ATOM 515 C LEU A 746 7.100 -23.664 2.825 1.00 23.43 C ATOM 516 O LEU A 746 7.508 -24.617 3.503 1.00 41.04 O ATOM 517 CB LEU A 746 5.069 -23.891 1.387 1.00 22.42 C ATOM 518 CG LEU A 746 5.401 -25.339 1.020 1.00 12.33 C ATOM 519 CD1 LEU A 746 4.765 -26.311 2.005 1.00 61.43 C ATOM 520 CD2 LEU A 746 4.953 -25.639 -0.396 1.00 54.14 C ATOM 0 H LEU A 746 5.451 -21.472 1.902 1.00 64.24 H new ATOM 0 HA LEU A 746 5.124 -23.869 3.538 1.00 73.02 H new ATOM 0 HB2 LEU A 746 3.984 -23.787 1.407 1.00 22.42 H new ATOM 0 HB3 LEU A 746 5.436 -23.247 0.588 1.00 22.42 H new ATOM 0 HG LEU A 746 6.482 -25.467 1.076 1.00 12.33 H new ATOM 0 HD11 LEU A 746 5.016 -27.333 1.721 1.00 61.43 H new ATOM 0 HD12 LEU A 746 5.140 -26.110 3.008 1.00 61.43 H new ATOM 0 HD13 LEU A 746 3.682 -26.187 1.991 1.00 61.43 H new ATOM 0 HD21 LEU A 746 5.196 -26.672 -0.643 1.00 54.14 H new ATOM 0 HD22 LEU A 746 3.876 -25.490 -0.476 1.00 54.14 H new ATOM 0 HD23 LEU A 746 5.464 -24.971 -1.089 1.00 54.14 H new HETATM 532 N PTR A 747 7.899 -22.845 2.175 1.00 54.02 N HETATM 533 CA PTR A 747 9.314 -23.054 2.097 1.00 11.13 C HETATM 534 C PTR A 747 9.931 -21.849 1.496 1.00 53.51 C HETATM 535 O PTR A 747 10.708 -21.160 2.112 1.00 21.53 O HETATM 536 CB PTR A 747 9.567 -24.253 1.189 1.00 62.15 C HETATM 537 CG PTR A 747 10.995 -24.649 0.996 1.00 71.14 C HETATM 538 CD1 PTR A 747 11.618 -24.383 -0.178 1.00 42.31 C HETATM 539 CD2 PTR A 747 11.704 -25.327 1.982 1.00 20.23 C HETATM 540 CE1 PTR A 747 12.914 -24.770 -0.411 1.00 34.12 C HETATM 541 CE2 PTR A 747 13.014 -25.714 1.772 1.00 5.11 C HETATM 542 CZ PTR A 747 13.612 -25.432 0.564 1.00 55.02 C HETATM 543 OH PTR A 747 14.925 -25.847 0.319 1.00 37.35 O HETATM 544 P PTR A 747 16.188 -24.938 0.340 1.00 37.35 P HETATM 545 O1P PTR A 747 17.207 -25.541 -0.590 1.00 37.35 O HETATM 546 O2P PTR A 747 16.791 -25.031 1.760 1.00 37.35 O HETATM 547 O3P PTR A 747 15.655 -23.631 -0.036 1.00 37.35 O HETATM 0 HE2 PTR A 747 13.567 -26.236 2.553 1.00 5.11 H new HETATM 0 HE1 PTR A 747 13.386 -24.551 -1.369 1.00 34.12 H new HETATM 0 HD2 PTR A 747 11.221 -25.556 2.932 1.00 20.23 H new HETATM 0 HD1 PTR A 747 11.076 -23.848 -0.957 1.00 42.31 H new HETATM 0 HB3 PTR A 747 9.027 -25.109 1.594 1.00 62.15 H new HETATM 0 HB2 PTR A 747 9.137 -24.038 0.211 1.00 62.15 H new HETATM 0 HA PTR A 747 9.737 -23.235 3.085 1.00 11.13 H new HETATM 0 H PTR A 747 7.493 -21.971 1.841 1.00 54.02 H new ATOM 556 N LYS A 748 9.561 -21.602 0.288 1.00 54.13 N ATOM 557 CA LYS A 748 10.006 -20.514 -0.439 1.00 72.21 C ATOM 558 C LYS A 748 8.917 -20.016 -1.305 1.00 53.14 C ATOM 559 O LYS A 748 7.831 -20.630 -1.373 1.00 60.35 O ATOM 560 CB LYS A 748 11.152 -20.929 -1.270 1.00 13.23 C ATOM 561 CG LYS A 748 12.439 -20.330 -0.831 1.00 51.55 C ATOM 562 CD LYS A 748 13.557 -21.314 -0.893 1.00 33.53 C ATOM 563 CE LYS A 748 13.827 -21.804 -2.305 1.00 11.31 C ATOM 564 NZ LYS A 748 15.047 -22.640 -2.367 1.00 2.33 N ATOM 0 H LYS A 748 8.908 -22.195 -0.225 1.00 54.13 H new ATOM 0 HA LYS A 748 10.313 -19.718 0.239 1.00 72.21 H new ATOM 0 HB2 LYS A 748 11.237 -22.015 -1.245 1.00 13.23 H new ATOM 0 HB3 LYS A 748 10.962 -20.648 -2.306 1.00 13.23 H new ATOM 0 HG2 LYS A 748 12.674 -19.472 -1.461 1.00 51.55 H new ATOM 0 HG3 LYS A 748 12.338 -19.958 0.189 1.00 51.55 H new ATOM 0 HD2 LYS A 748 14.461 -20.856 -0.492 1.00 33.53 H new ATOM 0 HD3 LYS A 748 13.322 -22.166 -0.256 1.00 33.53 H new ATOM 0 HE2 LYS A 748 12.972 -22.379 -2.661 1.00 11.31 H new ATOM 0 HE3 LYS A 748 13.936 -20.949 -2.973 1.00 11.31 H new ATOM 0 HZ1 LYS A 748 15.760 -22.170 -2.961 1.00 2.33 H new ATOM 0 HZ2 LYS A 748 15.427 -22.771 -1.408 1.00 2.33 H new ATOM 0 HZ3 LYS A 748 14.812 -23.567 -2.776 1.00 2.33 H new ATOM 578 N GLU A 749 9.174 -18.955 -1.970 1.00 10.32 N ATOM 579 CA GLU A 749 8.199 -18.342 -2.855 1.00 24.43 C ATOM 580 C GLU A 749 7.898 -19.258 -4.045 1.00 41.34 C ATOM 581 O GLU A 749 6.739 -19.585 -4.322 1.00 74.10 O ATOM 582 CB GLU A 749 8.703 -16.965 -3.349 1.00 12.23 C ATOM 583 CG GLU A 749 10.067 -17.005 -4.051 1.00 15.43 C ATOM 584 CD GLU A 749 10.434 -15.703 -4.682 1.00 11.34 C ATOM 585 OE1 GLU A 749 9.603 -15.150 -5.433 1.00 51.12 O ATOM 586 OE2 GLU A 749 11.569 -15.224 -4.456 1.00 2.32 O ATOM 0 H GLU A 749 10.068 -18.466 -1.931 1.00 10.32 H new ATOM 0 HA GLU A 749 7.277 -18.192 -2.294 1.00 24.43 H new ATOM 0 HB2 GLU A 749 7.967 -16.547 -4.035 1.00 12.23 H new ATOM 0 HB3 GLU A 749 8.766 -16.288 -2.497 1.00 12.23 H new ATOM 0 HG2 GLU A 749 10.834 -17.281 -3.328 1.00 15.43 H new ATOM 0 HG3 GLU A 749 10.054 -17.782 -4.815 1.00 15.43 H new ATOM 593 N ALA A 750 8.950 -19.716 -4.695 1.00 13.42 N ATOM 594 CA ALA A 750 8.842 -20.512 -5.892 1.00 63.01 C ATOM 595 C ALA A 750 8.401 -21.909 -5.587 1.00 21.04 C ATOM 596 O ALA A 750 8.138 -22.687 -6.485 1.00 71.33 O ATOM 597 CB ALA A 750 10.147 -20.523 -6.613 1.00 71.12 C ATOM 0 H ALA A 750 9.911 -19.542 -4.400 1.00 13.42 H new ATOM 0 HA ALA A 750 8.082 -20.061 -6.530 1.00 63.01 H new ATOM 0 HB1 ALA A 750 10.058 -21.126 -7.517 1.00 71.12 H new ATOM 0 HB2 ALA A 750 10.422 -19.503 -6.883 1.00 71.12 H new ATOM 0 HB3 ALA A 750 10.916 -20.947 -5.967 1.00 71.12 H new ATOM 603 N THR A 751 8.330 -22.223 -4.338 1.00 75.51 N ATOM 604 CA THR A 751 7.852 -23.485 -3.916 1.00 13.22 C ATOM 605 C THR A 751 6.353 -23.398 -3.679 1.00 52.51 C ATOM 606 O THR A 751 5.598 -24.309 -4.017 1.00 62.11 O ATOM 607 CB THR A 751 8.532 -23.896 -2.618 1.00 40.31 C ATOM 608 OG1 THR A 751 9.893 -23.462 -2.648 1.00 30.01 O ATOM 609 CG2 THR A 751 8.493 -25.398 -2.450 1.00 0.40 C ATOM 0 H THR A 751 8.606 -21.601 -3.578 1.00 75.51 H new ATOM 0 HA THR A 751 8.071 -24.223 -4.688 1.00 13.22 H new ATOM 0 HB THR A 751 8.006 -23.436 -1.782 1.00 40.31 H new ATOM 0 HG1 THR A 751 10.472 -24.216 -2.885 1.00 30.01 H new ATOM 0 HG21 THR A 751 8.984 -25.673 -1.516 1.00 0.40 H new ATOM 0 HG22 THR A 751 7.457 -25.735 -2.428 1.00 0.40 H new ATOM 0 HG23 THR A 751 9.010 -25.871 -3.285 1.00 0.40 H new ATOM 617 N SER A 752 5.932 -22.281 -3.108 1.00 3.10 N ATOM 618 CA SER A 752 4.557 -22.048 -2.810 1.00 73.20 C ATOM 619 C SER A 752 3.755 -21.789 -4.097 1.00 21.31 C ATOM 620 O SER A 752 2.739 -22.435 -4.340 1.00 13.32 O ATOM 621 CB SER A 752 4.418 -20.869 -1.830 1.00 11.00 C ATOM 622 OG SER A 752 3.086 -20.738 -1.352 1.00 3.53 O ATOM 0 H SER A 752 6.551 -21.515 -2.843 1.00 3.10 H new ATOM 0 HA SER A 752 4.149 -22.941 -2.336 1.00 73.20 H new ATOM 0 HB2 SER A 752 5.094 -21.014 -0.988 1.00 11.00 H new ATOM 0 HB3 SER A 752 4.719 -19.946 -2.326 1.00 11.00 H new ATOM 0 HG SER A 752 3.034 -19.981 -0.731 1.00 3.53 H new ATOM 628 N THR A 753 4.223 -20.853 -4.923 1.00 40.02 N ATOM 629 CA THR A 753 3.521 -20.529 -6.154 1.00 11.23 C ATOM 630 C THR A 753 3.979 -21.458 -7.292 1.00 10.24 C ATOM 631 O THR A 753 3.316 -21.571 -8.331 1.00 12.45 O ATOM 632 CB THR A 753 3.719 -19.024 -6.561 1.00 74.44 C ATOM 633 OG1 THR A 753 2.857 -18.693 -7.661 1.00 54.54 O ATOM 634 CG2 THR A 753 5.166 -18.747 -6.957 1.00 23.21 C ATOM 0 H THR A 753 5.074 -20.315 -4.761 1.00 40.02 H new ATOM 0 HA THR A 753 2.457 -20.683 -5.976 1.00 11.23 H new ATOM 0 HB THR A 753 3.468 -18.409 -5.697 1.00 74.44 H new ATOM 0 HG1 THR A 753 2.751 -19.476 -8.241 1.00 54.54 H new ATOM 0 HG21 THR A 753 5.273 -17.698 -7.234 1.00 23.21 H new ATOM 0 HG22 THR A 753 5.822 -18.969 -6.116 1.00 23.21 H new ATOM 0 HG23 THR A 753 5.438 -19.375 -7.805 1.00 23.21 H new ATOM 642 N PHE A 754 5.104 -22.132 -7.057 1.00 10.51 N ATOM 643 CA PHE A 754 5.729 -23.023 -8.026 1.00 12.50 C ATOM 644 C PHE A 754 6.065 -22.307 -9.338 1.00 11.22 C ATOM 645 O PHE A 754 5.344 -22.416 -10.331 1.00 72.11 O ATOM 646 CB PHE A 754 4.905 -24.300 -8.264 1.00 70.34 C ATOM 647 CG PHE A 754 5.594 -25.297 -9.157 1.00 52.55 C ATOM 648 CD1 PHE A 754 6.830 -25.818 -8.806 1.00 74.05 C ATOM 649 CD2 PHE A 754 5.007 -25.714 -10.341 1.00 14.31 C ATOM 650 CE1 PHE A 754 7.468 -26.731 -9.620 1.00 30.41 C ATOM 651 CE2 PHE A 754 5.639 -26.628 -11.159 1.00 70.23 C ATOM 652 CZ PHE A 754 6.872 -27.137 -10.798 1.00 60.33 C ATOM 0 H PHE A 754 5.612 -22.072 -6.175 1.00 10.51 H new ATOM 0 HA PHE A 754 6.675 -23.339 -7.586 1.00 12.50 H new ATOM 0 HB2 PHE A 754 4.691 -24.770 -7.304 1.00 70.34 H new ATOM 0 HB3 PHE A 754 3.947 -24.028 -8.706 1.00 70.34 H new ATOM 0 HD1 PHE A 754 7.299 -25.505 -7.885 1.00 74.05 H new ATOM 0 HD2 PHE A 754 4.043 -25.319 -10.627 1.00 14.31 H new ATOM 0 HE1 PHE A 754 8.432 -27.128 -9.337 1.00 30.41 H new ATOM 0 HE2 PHE A 754 5.171 -26.945 -12.079 1.00 70.23 H new ATOM 0 HZ PHE A 754 7.369 -27.852 -11.437 1.00 60.33 H new ATOM 662 N THR A 755 7.126 -21.555 -9.315 1.00 22.54 N ATOM 663 CA THR A 755 7.610 -20.881 -10.494 1.00 33.15 C ATOM 664 C THR A 755 8.860 -21.573 -11.031 1.00 4.01 C ATOM 665 O THR A 755 9.277 -21.334 -12.181 1.00 40.13 O ATOM 666 CB THR A 755 7.916 -19.402 -10.199 1.00 54.13 C ATOM 667 OG1 THR A 755 8.506 -19.297 -8.897 1.00 70.11 O ATOM 668 CG2 THR A 755 6.645 -18.570 -10.254 1.00 23.40 C ATOM 0 H THR A 755 7.685 -21.388 -8.478 1.00 22.54 H new ATOM 0 HA THR A 755 6.826 -20.927 -11.250 1.00 33.15 H new ATOM 0 HB THR A 755 8.607 -19.025 -10.953 1.00 54.13 H new ATOM 0 HG1 THR A 755 8.705 -18.357 -8.703 1.00 70.11 H new ATOM 0 HG21 THR A 755 6.883 -17.528 -10.043 1.00 23.40 H new ATOM 0 HG22 THR A 755 6.202 -18.647 -11.247 1.00 23.40 H new ATOM 0 HG23 THR A 755 5.937 -18.938 -9.512 1.00 23.40 H new ATOM 676 N ASN A 756 9.456 -22.446 -10.182 1.00 74.41 N ATOM 677 CA ASN A 756 10.659 -23.231 -10.536 1.00 50.45 C ATOM 678 C ASN A 756 11.830 -22.319 -10.929 1.00 2.31 C ATOM 679 O ASN A 756 12.020 -21.993 -12.107 1.00 14.32 O ATOM 680 CB ASN A 756 10.341 -24.273 -11.654 1.00 4.54 C ATOM 681 CG ASN A 756 11.534 -25.164 -12.018 1.00 54.12 C ATOM 682 OD1 ASN A 756 11.788 -26.182 -11.366 1.00 21.42 O ATOM 683 ND2 ASN A 756 12.238 -24.804 -13.068 1.00 33.10 N ATOM 0 H ASN A 756 9.116 -22.623 -9.237 1.00 74.41 H new ATOM 0 HA ASN A 756 10.967 -23.784 -9.649 1.00 50.45 H new ATOM 0 HB2 ASN A 756 9.514 -24.903 -11.327 1.00 4.54 H new ATOM 0 HB3 ASN A 756 10.006 -23.745 -12.547 1.00 4.54 H new ATOM 0 HD21 ASN A 756 13.028 -25.373 -13.372 1.00 33.10 H new ATOM 0 HD22 ASN A 756 11.994 -23.955 -13.579 1.00 33.10 H new ATOM 690 N ILE A 757 12.579 -21.889 -9.936 1.00 11.02 N ATOM 691 CA ILE A 757 13.716 -21.007 -10.145 1.00 32.03 C ATOM 692 C ILE A 757 14.968 -21.615 -9.516 1.00 53.44 C ATOM 693 O ILE A 757 15.953 -21.921 -10.213 1.00 53.44 O ATOM 694 CB ILE A 757 13.467 -19.595 -9.516 1.00 24.12 C ATOM 695 CG1 ILE A 757 12.153 -18.989 -10.046 1.00 30.21 C ATOM 696 CG2 ILE A 757 14.647 -18.659 -9.813 1.00 32.20 C ATOM 697 CD1 ILE A 757 11.780 -17.667 -9.402 1.00 45.44 C ATOM 0 H ILE A 757 12.420 -22.139 -8.960 1.00 11.02 H new ATOM 0 HA ILE A 757 13.852 -20.892 -11.220 1.00 32.03 H new ATOM 0 HB ILE A 757 13.381 -19.711 -8.436 1.00 24.12 H new ATOM 0 HG12 ILE A 757 12.239 -18.845 -11.123 1.00 30.21 H new ATOM 0 HG13 ILE A 757 11.344 -19.702 -9.883 1.00 30.21 H new ATOM 0 HG21 ILE A 757 14.457 -17.682 -9.369 1.00 32.20 H new ATOM 0 HG22 ILE A 757 15.560 -19.079 -9.390 1.00 32.20 H new ATOM 0 HG23 ILE A 757 14.763 -18.551 -10.891 1.00 32.20 H new ATOM 0 HD11 ILE A 757 10.844 -17.306 -9.828 1.00 45.44 H new ATOM 0 HD12 ILE A 757 11.659 -17.807 -8.328 1.00 45.44 H new ATOM 0 HD13 ILE A 757 12.568 -16.937 -9.587 1.00 45.44 H new ATOM 709 N THR A 758 14.926 -21.799 -8.210 1.00 65.12 N ATOM 710 CA THR A 758 16.020 -22.384 -7.485 1.00 63.32 C ATOM 711 C THR A 758 15.505 -23.345 -6.422 1.00 2.23 C ATOM 712 O THR A 758 14.988 -22.919 -5.369 1.00 14.13 O ATOM 713 CB THR A 758 16.929 -21.302 -6.813 1.00 44.40 C ATOM 714 OG1 THR A 758 16.120 -20.368 -6.056 1.00 53.33 O ATOM 715 CG2 THR A 758 17.749 -20.551 -7.853 1.00 21.12 C ATOM 0 H THR A 758 14.128 -21.544 -7.628 1.00 65.12 H new ATOM 0 HA THR A 758 16.624 -22.929 -8.211 1.00 63.32 H new ATOM 0 HB THR A 758 17.616 -21.813 -6.138 1.00 44.40 H new ATOM 0 HG1 THR A 758 15.442 -20.860 -5.547 1.00 53.33 H new ATOM 0 HG21 THR A 758 18.371 -19.806 -7.357 1.00 21.12 H new ATOM 0 HG22 THR A 758 18.385 -21.254 -8.392 1.00 21.12 H new ATOM 0 HG23 THR A 758 17.079 -20.055 -8.556 1.00 21.12 H new HETATM 723 N PTR A 759 15.626 -24.631 -6.686 1.00 62.42 N HETATM 724 CA PTR A 759 15.184 -25.619 -5.737 1.00 50.20 C HETATM 725 C PTR A 759 16.046 -25.592 -4.483 1.00 72.42 C HETATM 726 O PTR A 759 15.556 -25.810 -3.379 1.00 3.34 O HETATM 727 CB PTR A 759 15.106 -27.043 -6.359 1.00 44.31 C HETATM 728 CG PTR A 759 16.409 -27.588 -6.922 1.00 75.55 C HETATM 729 CD1 PTR A 759 16.819 -27.273 -8.209 1.00 52.44 C HETATM 730 CD2 PTR A 759 17.213 -28.429 -6.167 1.00 23.43 C HETATM 731 CE1 PTR A 759 17.991 -27.778 -8.727 1.00 43.02 C HETATM 732 CE2 PTR A 759 18.389 -28.937 -6.674 1.00 4.11 C HETATM 733 CZ PTR A 759 18.777 -28.612 -7.952 1.00 13.02 C HETATM 734 OH PTR A 759 19.978 -29.142 -8.464 1.00 37.35 O HETATM 735 P PTR A 759 20.688 -28.686 -9.783 1.00 37.35 P HETATM 736 O1P PTR A 759 19.807 -29.061 -10.968 1.00 37.35 O HETATM 737 O2P PTR A 759 20.802 -27.141 -9.769 1.00 37.35 O HETATM 738 O3P PTR A 759 21.940 -29.389 -9.670 1.00 37.35 O HETATM 0 HE2 PTR A 759 19.009 -29.594 -6.064 1.00 4.11 H new HETATM 0 HE1 PTR A 759 18.297 -27.522 -9.741 1.00 43.02 H new HETATM 0 HD2 PTR A 759 16.909 -28.693 -5.154 1.00 23.43 H new HETATM 0 HD1 PTR A 759 16.203 -26.614 -8.821 1.00 52.44 H new HETATM 0 HB3 PTR A 759 14.744 -27.733 -5.597 1.00 44.31 H new HETATM 0 HB2 PTR A 759 14.364 -27.031 -7.157 1.00 44.31 H new HETATM 0 HA PTR A 759 14.166 -25.358 -5.446 1.00 50.20 H new ATOM 747 N ARG A 760 17.323 -25.291 -4.656 1.00 54.34 N ATOM 748 CA ARG A 760 18.242 -25.149 -3.534 1.00 54.22 C ATOM 749 C ARG A 760 19.233 -24.043 -3.808 1.00 14.53 C ATOM 750 O ARG A 760 19.945 -24.071 -4.813 1.00 24.10 O ATOM 751 CB ARG A 760 18.988 -26.467 -3.241 1.00 53.13 C ATOM 752 CG ARG A 760 18.090 -27.620 -2.824 1.00 14.11 C ATOM 753 CD ARG A 760 18.892 -28.808 -2.364 1.00 22.50 C ATOM 754 NE ARG A 760 19.643 -28.521 -1.134 1.00 70.32 N ATOM 755 CZ ARG A 760 20.447 -29.399 -0.515 1.00 54.24 C ATOM 756 NH1 ARG A 760 20.623 -30.621 -1.020 1.00 23.41 N ATOM 757 NH2 ARG A 760 21.064 -29.057 0.607 1.00 44.50 N ATOM 0 H ARG A 760 17.751 -25.139 -5.569 1.00 54.34 H new ATOM 0 HA ARG A 760 17.653 -24.895 -2.653 1.00 54.22 H new ATOM 0 HB2 ARG A 760 19.545 -26.760 -4.131 1.00 53.13 H new ATOM 0 HB3 ARG A 760 19.719 -26.289 -2.452 1.00 53.13 H new ATOM 0 HG2 ARG A 760 17.428 -27.295 -2.022 1.00 14.11 H new ATOM 0 HG3 ARG A 760 17.457 -27.910 -3.662 1.00 14.11 H new ATOM 0 HD2 ARG A 760 18.224 -29.652 -2.193 1.00 22.50 H new ATOM 0 HD3 ARG A 760 19.585 -29.105 -3.151 1.00 22.50 H new ATOM 0 HE ARG A 760 19.547 -27.592 -0.723 1.00 70.32 H new ATOM 0 HH11 ARG A 760 20.146 -30.891 -1.880 1.00 23.41 H new ATOM 0 HH12 ARG A 760 21.235 -31.285 -0.546 1.00 23.41 H new ATOM 0 HH21 ARG A 760 20.928 -28.126 1.000 1.00 44.50 H new ATOM 0 HH22 ARG A 760 21.675 -29.725 1.077 1.00 44.50 H new ATOM 771 N GLY A 761 19.271 -23.075 -2.940 1.00 55.44 N ATOM 772 CA GLY A 761 20.188 -21.980 -3.102 1.00 51.42 C ATOM 773 C GLY A 761 20.591 -21.389 -1.782 1.00 52.30 C ATOM 774 O GLY A 761 20.433 -20.194 -1.554 1.00 70.05 O ATOM 0 H GLY A 761 18.678 -23.019 -2.112 1.00 55.44 H new ATOM 0 HA2 GLY A 761 21.076 -22.325 -3.632 1.00 51.42 H new ATOM 0 HA3 GLY A 761 19.728 -21.209 -3.720 1.00 51.42 H new ATOM 778 N THR A 762 21.088 -22.213 -0.913 1.00 11.44 N ATOM 779 CA THR A 762 21.513 -21.777 0.378 1.00 24.23 C ATOM 780 C THR A 762 23.032 -21.829 0.469 1.00 73.34 C ATOM 781 O THR A 762 23.669 -20.762 0.445 1.00 5.04 O ATOM 782 CB THR A 762 20.901 -22.651 1.490 1.00 3.10 C ATOM 783 OG1 THR A 762 19.475 -22.739 1.305 1.00 2.23 O ATOM 784 CG2 THR A 762 21.185 -22.051 2.860 1.00 55.35 C ATOM 785 OXT THR A 762 23.578 -22.934 0.536 1.00 37.35 O ATOM 0 H THR A 762 21.210 -23.212 -1.081 1.00 11.44 H new ATOM 0 HA THR A 762 21.171 -20.752 0.517 1.00 24.23 H new ATOM 0 HB THR A 762 21.349 -23.643 1.435 1.00 3.10 H new ATOM 0 HG1 THR A 762 19.087 -23.296 2.012 1.00 2.23 H new ATOM 0 HG21 THR A 762 20.745 -22.682 3.632 1.00 55.35 H new ATOM 0 HG22 THR A 762 22.262 -21.988 3.013 1.00 55.35 H new ATOM 0 HG23 THR A 762 20.751 -21.053 2.917 1.00 55.35 H new TER 793 THR A 762