USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 264 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 LYS NZ :NH3+ -144:sc= 1.21 (180deg=0.213) USER MOD Single : A 682 THR OG1 : rot 180:sc= 0 USER MOD Single : A 684 THR OG1 : rot 66:sc= 1.09 USER MOD Single : A 686 TYR OH : rot 180:sc= 0 USER MOD Single : A 687 SER OG : rot 180:sc= 0 USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 74:sc= 1.28 USER MOD Single : A 701 TYR OH : rot 165:sc= -1.12 USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 704 THR OG1 : rot 45:sc= 0.0311 USER MOD Single : A 707 SER OG : rot 180:sc= 0 USER MOD Single : A 711 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 677 -17.212 -9.440 -0.384 1.00 61.43 N ATOM 2 CA LEU A 677 -17.984 -8.515 -1.223 1.00 71.21 C ATOM 3 C LEU A 677 -17.078 -7.443 -1.813 1.00 13.10 C ATOM 4 O LEU A 677 -16.710 -6.487 -1.125 1.00 73.40 O ATOM 5 CB LEU A 677 -19.120 -7.867 -0.410 1.00 71.23 C ATOM 6 CG LEU A 677 -20.032 -6.880 -1.157 1.00 10.04 C ATOM 7 CD1 LEU A 677 -20.775 -7.569 -2.292 1.00 43.35 C ATOM 8 CD2 LEU A 677 -21.009 -6.223 -0.193 1.00 61.34 C ATOM 0 HA LEU A 677 -18.425 -9.084 -2.042 1.00 71.21 H new ATOM 0 HB2 LEU A 677 -19.743 -8.663 -0.003 1.00 71.23 H new ATOM 0 HB3 LEU A 677 -18.676 -7.344 0.437 1.00 71.23 H new ATOM 0 HG LEU A 677 -19.403 -6.104 -1.594 1.00 10.04 H new ATOM 0 HD11 LEU A 677 -21.412 -6.846 -2.802 1.00 43.35 H new ATOM 0 HD12 LEU A 677 -20.056 -7.982 -3.000 1.00 43.35 H new ATOM 0 HD13 LEU A 677 -21.390 -8.373 -1.889 1.00 43.35 H new ATOM 0 HD21 LEU A 677 -21.647 -5.528 -0.739 1.00 61.34 H new ATOM 0 HD22 LEU A 677 -21.626 -6.988 0.277 1.00 61.34 H new ATOM 0 HD23 LEU A 677 -20.455 -5.682 0.574 1.00 61.34 H new ATOM 20 N GLY A 678 -16.686 -7.633 -3.076 1.00 54.22 N ATOM 21 CA GLY A 678 -15.859 -6.662 -3.797 1.00 25.33 C ATOM 22 C GLY A 678 -14.514 -6.410 -3.145 1.00 74.14 C ATOM 23 O GLY A 678 -13.940 -5.340 -3.309 1.00 13.33 O ATOM 0 H GLY A 678 -16.931 -8.458 -3.624 1.00 54.22 H new ATOM 0 HA2 GLY A 678 -15.699 -7.018 -4.815 1.00 25.33 H new ATOM 0 HA3 GLY A 678 -16.401 -5.719 -3.870 1.00 25.33 H new ATOM 27 N LYS A 679 -14.020 -7.411 -2.433 1.00 71.10 N ATOM 28 CA LYS A 679 -12.782 -7.340 -1.665 1.00 61.11 C ATOM 29 C LYS A 679 -12.823 -6.283 -0.566 1.00 73.41 C ATOM 30 O LYS A 679 -12.468 -5.122 -0.780 1.00 75.31 O ATOM 31 CB LYS A 679 -11.515 -7.239 -2.533 1.00 43.13 C ATOM 32 CG LYS A 679 -11.291 -8.456 -3.421 1.00 22.35 C ATOM 33 CD LYS A 679 -9.963 -8.376 -4.158 1.00 72.55 C ATOM 34 CE LYS A 679 -9.750 -9.599 -5.036 1.00 22.41 C ATOM 35 NZ LYS A 679 -8.445 -9.564 -5.731 1.00 33.35 N ATOM 0 H LYS A 679 -14.479 -8.320 -2.370 1.00 71.10 H new ATOM 0 HA LYS A 679 -12.711 -8.305 -1.162 1.00 61.11 H new ATOM 0 HB2 LYS A 679 -11.583 -6.349 -3.159 1.00 43.13 H new ATOM 0 HB3 LYS A 679 -10.649 -7.107 -1.884 1.00 43.13 H new ATOM 0 HG2 LYS A 679 -11.316 -9.360 -2.813 1.00 22.35 H new ATOM 0 HG3 LYS A 679 -12.104 -8.535 -4.143 1.00 22.35 H new ATOM 0 HD2 LYS A 679 -9.938 -7.475 -4.771 1.00 72.55 H new ATOM 0 HD3 LYS A 679 -9.148 -8.295 -3.438 1.00 72.55 H new ATOM 0 HE2 LYS A 679 -9.810 -10.499 -4.424 1.00 22.41 H new ATOM 0 HE3 LYS A 679 -10.551 -9.660 -5.773 1.00 22.41 H new ATOM 0 HZ1 LYS A 679 -8.341 -10.416 -6.318 1.00 33.35 H new ATOM 0 HZ2 LYS A 679 -8.396 -8.719 -6.335 1.00 33.35 H new ATOM 0 HZ3 LYS A 679 -7.678 -9.532 -5.029 1.00 33.35 H new ATOM 49 N LYS A 680 -13.293 -6.719 0.603 1.00 64.52 N ATOM 50 CA LYS A 680 -13.421 -5.918 1.842 1.00 22.15 C ATOM 51 C LYS A 680 -14.373 -4.733 1.706 1.00 44.34 C ATOM 52 O LYS A 680 -15.518 -4.774 2.161 1.00 35.44 O ATOM 53 CB LYS A 680 -12.062 -5.387 2.405 1.00 45.11 C ATOM 54 CG LYS A 680 -11.004 -6.416 2.792 1.00 72.25 C ATOM 55 CD LYS A 680 -10.322 -7.022 1.586 1.00 40.45 C ATOM 56 CE LYS A 680 -9.225 -7.972 1.995 1.00 75.35 C ATOM 57 NZ LYS A 680 -8.235 -7.324 2.872 1.00 13.02 N ATOM 0 H LYS A 680 -13.611 -7.680 0.728 1.00 64.52 H new ATOM 0 HA LYS A 680 -13.835 -6.637 2.549 1.00 22.15 H new ATOM 0 HB2 LYS A 680 -11.626 -4.723 1.659 1.00 45.11 H new ATOM 0 HB3 LYS A 680 -12.277 -4.780 3.285 1.00 45.11 H new ATOM 0 HG2 LYS A 680 -10.257 -5.943 3.429 1.00 72.25 H new ATOM 0 HG3 LYS A 680 -11.469 -7.208 3.379 1.00 72.25 H new ATOM 0 HD2 LYS A 680 -11.056 -7.551 0.978 1.00 40.45 H new ATOM 0 HD3 LYS A 680 -9.906 -6.229 0.964 1.00 40.45 H new ATOM 0 HE2 LYS A 680 -9.660 -8.829 2.510 1.00 75.35 H new ATOM 0 HE3 LYS A 680 -8.726 -8.355 1.105 1.00 75.35 H new ATOM 0 HZ1 LYS A 680 -7.287 -7.694 2.659 1.00 13.02 H new ATOM 0 HZ2 LYS A 680 -8.249 -6.296 2.712 1.00 13.02 H new ATOM 0 HZ3 LYS A 680 -8.469 -7.523 3.866 1.00 13.02 H new ATOM 71 N ASP A 681 -13.871 -3.711 1.068 1.00 1.41 N ATOM 72 CA ASP A 681 -14.471 -2.392 0.931 1.00 13.14 C ATOM 73 C ASP A 681 -13.438 -1.533 0.243 1.00 2.12 C ATOM 74 O ASP A 681 -12.307 -1.494 0.693 1.00 44.22 O ATOM 75 CB ASP A 681 -14.785 -1.820 2.331 1.00 32.03 C ATOM 76 CG ASP A 681 -15.105 -0.354 2.339 1.00 23.33 C ATOM 77 OD1 ASP A 681 -16.279 0.031 2.130 1.00 34.55 O ATOM 78 OD2 ASP A 681 -14.182 0.444 2.585 1.00 25.45 O ATOM 0 H ASP A 681 -12.970 -3.772 0.594 1.00 1.41 H new ATOM 0 HA ASP A 681 -15.401 -2.427 0.364 1.00 13.14 H new ATOM 0 HB2 ASP A 681 -15.628 -2.367 2.754 1.00 32.03 H new ATOM 0 HB3 ASP A 681 -13.930 -1.997 2.984 1.00 32.03 H new ATOM 83 N THR A 682 -13.811 -0.865 -0.831 1.00 2.32 N ATOM 84 CA THR A 682 -12.870 -0.099 -1.649 1.00 43.24 C ATOM 85 C THR A 682 -12.062 0.942 -0.838 1.00 21.20 C ATOM 86 O THR A 682 -10.838 1.066 -1.010 1.00 61.12 O ATOM 87 CB THR A 682 -13.605 0.561 -2.825 1.00 54.45 C ATOM 88 OG1 THR A 682 -14.300 -0.470 -3.564 1.00 33.31 O ATOM 89 CG2 THR A 682 -12.625 1.252 -3.750 1.00 3.22 C ATOM 0 H THR A 682 -14.773 -0.833 -1.167 1.00 2.32 H new ATOM 0 HA THR A 682 -12.137 -0.807 -2.037 1.00 43.24 H new ATOM 0 HB THR A 682 -14.303 1.304 -2.440 1.00 54.45 H new ATOM 0 HG1 THR A 682 -14.777 -0.066 -4.319 1.00 33.31 H new ATOM 0 HG21 THR A 682 -13.167 1.713 -4.576 1.00 3.22 H new ATOM 0 HG22 THR A 682 -12.083 2.020 -3.198 1.00 3.22 H new ATOM 0 HG23 THR A 682 -11.918 0.521 -4.143 1.00 3.22 H new ATOM 97 N GLU A 683 -12.724 1.629 0.065 1.00 2.43 N ATOM 98 CA GLU A 683 -12.062 2.617 0.914 1.00 72.01 C ATOM 99 C GLU A 683 -11.065 1.942 1.839 1.00 23.51 C ATOM 100 O GLU A 683 -9.962 2.453 2.078 1.00 52.12 O ATOM 101 CB GLU A 683 -13.083 3.422 1.716 1.00 71.23 C ATOM 102 CG GLU A 683 -13.944 4.329 0.866 1.00 24.24 C ATOM 103 CD GLU A 683 -13.118 5.371 0.160 1.00 33.41 C ATOM 104 OE1 GLU A 683 -12.834 6.427 0.771 1.00 12.12 O ATOM 105 OE2 GLU A 683 -12.707 5.145 -0.998 1.00 70.54 O ATOM 0 H GLU A 683 -13.724 1.528 0.238 1.00 2.43 H new ATOM 0 HA GLU A 683 -11.520 3.309 0.269 1.00 72.01 H new ATOM 0 HB2 GLU A 683 -13.726 2.733 2.264 1.00 71.23 H new ATOM 0 HB3 GLU A 683 -12.557 4.024 2.457 1.00 71.23 H new ATOM 0 HG2 GLU A 683 -14.486 3.734 0.131 1.00 24.24 H new ATOM 0 HG3 GLU A 683 -14.689 4.818 1.493 1.00 24.24 H new ATOM 112 N THR A 684 -11.450 0.788 2.335 1.00 53.44 N ATOM 113 CA THR A 684 -10.615 -0.005 3.194 1.00 34.12 C ATOM 114 C THR A 684 -9.435 -0.593 2.405 1.00 13.32 C ATOM 115 O THR A 684 -8.346 -0.739 2.935 1.00 41.52 O ATOM 116 CB THR A 684 -11.446 -1.124 3.860 1.00 63.02 C ATOM 117 OG1 THR A 684 -12.572 -0.520 4.539 1.00 54.51 O ATOM 118 CG2 THR A 684 -10.618 -1.909 4.874 1.00 15.31 C ATOM 0 H THR A 684 -12.363 0.373 2.148 1.00 53.44 H new ATOM 0 HA THR A 684 -10.210 0.635 3.978 1.00 34.12 H new ATOM 0 HB THR A 684 -11.779 -1.815 3.086 1.00 63.02 H new ATOM 0 HG1 THR A 684 -13.177 -0.122 3.879 1.00 54.51 H new ATOM 0 HG21 THR A 684 -11.235 -2.688 5.323 1.00 15.31 H new ATOM 0 HG22 THR A 684 -9.765 -2.366 4.372 1.00 15.31 H new ATOM 0 HG23 THR A 684 -10.262 -1.235 5.653 1.00 15.31 H new ATOM 126 N VAL A 685 -9.661 -0.887 1.131 1.00 74.14 N ATOM 127 CA VAL A 685 -8.619 -1.421 0.265 1.00 51.14 C ATOM 128 C VAL A 685 -7.507 -0.424 0.090 1.00 73.10 C ATOM 129 O VAL A 685 -6.355 -0.739 0.328 1.00 30.24 O ATOM 130 CB VAL A 685 -9.156 -1.834 -1.119 1.00 31.35 C ATOM 131 CG1 VAL A 685 -8.022 -2.310 -2.017 1.00 35.11 C ATOM 132 CG2 VAL A 685 -10.174 -2.923 -0.968 1.00 61.52 C ATOM 0 H VAL A 685 -10.564 -0.763 0.672 1.00 74.14 H new ATOM 0 HA VAL A 685 -8.238 -2.315 0.758 1.00 51.14 H new ATOM 0 HB VAL A 685 -9.623 -0.964 -1.581 1.00 31.35 H new ATOM 0 HG11 VAL A 685 -8.423 -2.597 -2.989 1.00 35.11 H new ATOM 0 HG12 VAL A 685 -7.298 -1.505 -2.146 1.00 35.11 H new ATOM 0 HG13 VAL A 685 -7.532 -3.169 -1.559 1.00 35.11 H new ATOM 0 HG21 VAL A 685 -10.549 -3.209 -1.951 1.00 61.52 H new ATOM 0 HG22 VAL A 685 -9.714 -3.787 -0.489 1.00 61.52 H new ATOM 0 HG23 VAL A 685 -11.001 -2.566 -0.354 1.00 61.52 H new ATOM 142 N TYR A 686 -7.840 0.788 -0.298 1.00 43.13 N ATOM 143 CA TYR A 686 -6.815 1.796 -0.446 1.00 61.32 C ATOM 144 C TYR A 686 -6.174 2.128 0.880 1.00 12.52 C ATOM 145 O TYR A 686 -5.015 2.493 0.940 1.00 50.15 O ATOM 146 CB TYR A 686 -7.320 3.031 -1.169 1.00 73.33 C ATOM 147 CG TYR A 686 -7.675 2.748 -2.605 1.00 34.24 C ATOM 148 CD1 TYR A 686 -6.679 2.462 -3.527 1.00 14.40 C ATOM 149 CD2 TYR A 686 -8.989 2.758 -3.042 1.00 30.21 C ATOM 150 CE1 TYR A 686 -6.982 2.198 -4.842 1.00 53.34 C ATOM 151 CE2 TYR A 686 -9.302 2.490 -4.363 1.00 41.40 C ATOM 152 CZ TYR A 686 -8.294 2.212 -5.258 1.00 31.00 C ATOM 153 OH TYR A 686 -8.598 1.949 -6.582 1.00 70.43 O ATOM 0 H TYR A 686 -8.789 1.094 -0.512 1.00 43.13 H new ATOM 0 HA TYR A 686 -6.037 1.372 -1.081 1.00 61.32 H new ATOM 0 HB2 TYR A 686 -8.196 3.420 -0.650 1.00 73.33 H new ATOM 0 HB3 TYR A 686 -6.557 3.808 -1.132 1.00 73.33 H new ATOM 0 HD1 TYR A 686 -5.648 2.446 -3.207 1.00 14.40 H new ATOM 0 HD2 TYR A 686 -9.781 2.978 -2.342 1.00 30.21 H new ATOM 0 HE1 TYR A 686 -6.193 1.980 -5.546 1.00 53.34 H new ATOM 0 HE2 TYR A 686 -10.331 2.499 -4.690 1.00 41.40 H new ATOM 0 HH TYR A 686 -9.568 1.997 -6.711 1.00 70.43 H new ATOM 163 N SER A 687 -6.919 1.937 1.937 1.00 15.23 N ATOM 164 CA SER A 687 -6.415 2.142 3.269 1.00 54.50 C ATOM 165 C SER A 687 -5.388 1.044 3.611 1.00 61.14 C ATOM 166 O SER A 687 -4.316 1.340 4.147 1.00 44.41 O ATOM 167 CB SER A 687 -7.580 2.159 4.266 1.00 5.11 C ATOM 168 OG SER A 687 -7.156 2.384 5.598 1.00 63.23 O ATOM 0 H SER A 687 -7.892 1.635 1.898 1.00 15.23 H new ATOM 0 HA SER A 687 -5.908 3.105 3.330 1.00 54.50 H new ATOM 0 HB2 SER A 687 -8.288 2.936 3.978 1.00 5.11 H new ATOM 0 HB3 SER A 687 -8.111 1.209 4.214 1.00 5.11 H new ATOM 0 HG SER A 687 -7.935 2.387 6.193 1.00 63.23 H new ATOM 174 N GLU A 688 -5.694 -0.219 3.277 1.00 61.33 N ATOM 175 CA GLU A 688 -4.752 -1.292 3.529 1.00 40.04 C ATOM 176 C GLU A 688 -3.548 -1.166 2.614 1.00 10.33 C ATOM 177 O GLU A 688 -2.441 -1.526 2.996 1.00 35.54 O ATOM 178 CB GLU A 688 -5.377 -2.706 3.482 1.00 42.53 C ATOM 179 CG GLU A 688 -5.982 -3.093 2.164 1.00 20.32 C ATOM 180 CD GLU A 688 -6.478 -4.517 2.142 1.00 71.34 C ATOM 181 OE1 GLU A 688 -7.625 -4.771 2.547 1.00 73.11 O ATOM 182 OE2 GLU A 688 -5.711 -5.417 1.725 1.00 4.43 O ATOM 0 H GLU A 688 -6.570 -0.507 2.841 1.00 61.33 H new ATOM 0 HA GLU A 688 -4.419 -1.176 4.560 1.00 40.04 H new ATOM 0 HB2 GLU A 688 -4.608 -3.435 3.739 1.00 42.53 H new ATOM 0 HB3 GLU A 688 -6.147 -2.771 4.251 1.00 42.53 H new ATOM 0 HG2 GLU A 688 -6.811 -2.421 1.939 1.00 20.32 H new ATOM 0 HG3 GLU A 688 -5.241 -2.960 1.376 1.00 20.32 H new ATOM 189 N VAL A 689 -3.766 -0.627 1.411 1.00 51.52 N ATOM 190 CA VAL A 689 -2.669 -0.338 0.491 1.00 30.04 C ATOM 191 C VAL A 689 -1.771 0.723 1.094 1.00 71.43 C ATOM 192 O VAL A 689 -0.567 0.578 1.099 1.00 25.05 O ATOM 193 CB VAL A 689 -3.161 0.102 -0.923 1.00 31.51 C ATOM 194 CG1 VAL A 689 -1.983 0.501 -1.814 1.00 42.04 C ATOM 195 CG2 VAL A 689 -3.908 -1.035 -1.571 1.00 31.53 C ATOM 0 H VAL A 689 -4.690 -0.384 1.055 1.00 51.52 H new ATOM 0 HA VAL A 689 -2.110 -1.263 0.347 1.00 30.04 H new ATOM 0 HB VAL A 689 -3.817 0.965 -0.805 1.00 31.51 H new ATOM 0 HG11 VAL A 689 -2.354 0.803 -2.793 1.00 42.04 H new ATOM 0 HG12 VAL A 689 -1.446 1.332 -1.357 1.00 42.04 H new ATOM 0 HG13 VAL A 689 -1.309 -0.348 -1.927 1.00 42.04 H new ATOM 0 HG21 VAL A 689 -4.252 -0.728 -2.559 1.00 31.53 H new ATOM 0 HG22 VAL A 689 -3.247 -1.896 -1.668 1.00 31.53 H new ATOM 0 HG23 VAL A 689 -4.766 -1.304 -0.955 1.00 31.53 H new ATOM 205 N ARG A 690 -2.374 1.767 1.646 1.00 51.23 N ATOM 206 CA ARG A 690 -1.638 2.823 2.315 1.00 64.12 C ATOM 207 C ARG A 690 -0.804 2.290 3.477 1.00 73.34 C ATOM 208 O ARG A 690 0.282 2.778 3.729 1.00 65.02 O ATOM 209 CB ARG A 690 -2.580 3.943 2.757 1.00 24.42 C ATOM 210 CG ARG A 690 -3.110 4.794 1.608 1.00 63.13 C ATOM 211 CD ARG A 690 -1.984 5.547 0.910 1.00 50.14 C ATOM 212 NE ARG A 690 -2.467 6.335 -0.228 1.00 1.45 N ATOM 213 CZ ARG A 690 -1.870 7.432 -0.701 1.00 44.10 C ATOM 214 NH1 ARG A 690 -0.818 7.948 -0.067 1.00 51.13 N ATOM 215 NH2 ARG A 690 -2.336 8.025 -1.791 1.00 72.32 N ATOM 0 H ARG A 690 -3.385 1.903 1.641 1.00 51.23 H new ATOM 0 HA ARG A 690 -0.934 3.243 1.596 1.00 64.12 H new ATOM 0 HB2 ARG A 690 -3.423 3.505 3.291 1.00 24.42 H new ATOM 0 HB3 ARG A 690 -2.056 4.588 3.462 1.00 24.42 H new ATOM 0 HG2 ARG A 690 -3.625 4.157 0.889 1.00 63.13 H new ATOM 0 HG3 ARG A 690 -3.844 5.504 1.988 1.00 63.13 H new ATOM 0 HD2 ARG A 690 -1.493 6.207 1.625 1.00 50.14 H new ATOM 0 HD3 ARG A 690 -1.233 4.836 0.565 1.00 50.14 H new ATOM 0 HE ARG A 690 -3.320 6.023 -0.692 1.00 1.45 H new ATOM 0 HH11 ARG A 690 -0.467 7.505 0.782 1.00 51.13 H new ATOM 0 HH12 ARG A 690 -0.364 8.786 -0.431 1.00 51.13 H new ATOM 0 HH21 ARG A 690 -3.152 7.644 -2.270 1.00 72.32 H new ATOM 0 HH22 ARG A 690 -1.879 8.863 -2.151 1.00 72.32 H new ATOM 229 N LYS A 691 -1.313 1.284 4.166 1.00 1.24 N ATOM 230 CA LYS A 691 -0.554 0.640 5.238 1.00 40.22 C ATOM 231 C LYS A 691 0.519 -0.293 4.651 1.00 41.00 C ATOM 232 O LYS A 691 1.567 -0.513 5.253 1.00 13.12 O ATOM 233 CB LYS A 691 -1.473 -0.145 6.184 1.00 2.21 C ATOM 234 CG LYS A 691 -2.513 0.704 6.910 1.00 43.02 C ATOM 235 CD LYS A 691 -3.342 -0.127 7.898 1.00 10.50 C ATOM 236 CE LYS A 691 -4.119 -1.236 7.202 1.00 53.24 C ATOM 237 NZ LYS A 691 -4.883 -2.071 8.157 1.00 62.14 N ATOM 0 H LYS A 691 -2.242 0.893 4.009 1.00 1.24 H new ATOM 0 HA LYS A 691 -0.067 1.426 5.815 1.00 40.22 H new ATOM 0 HB2 LYS A 691 -1.988 -0.916 5.611 1.00 2.21 H new ATOM 0 HB3 LYS A 691 -0.858 -0.656 6.925 1.00 2.21 H new ATOM 0 HG2 LYS A 691 -2.013 1.511 7.445 1.00 43.02 H new ATOM 0 HG3 LYS A 691 -3.176 1.168 6.180 1.00 43.02 H new ATOM 0 HD2 LYS A 691 -2.682 -0.563 8.648 1.00 10.50 H new ATOM 0 HD3 LYS A 691 -4.037 0.526 8.426 1.00 10.50 H new ATOM 0 HE2 LYS A 691 -4.805 -0.797 6.477 1.00 53.24 H new ATOM 0 HE3 LYS A 691 -3.427 -1.867 6.644 1.00 53.24 H new ATOM 0 HZ1 LYS A 691 -5.396 -2.812 7.637 1.00 62.14 H new ATOM 0 HZ2 LYS A 691 -4.228 -2.512 8.833 1.00 62.14 H new ATOM 0 HZ3 LYS A 691 -5.563 -1.476 8.672 1.00 62.14 H new ATOM 251 N ALA A 692 0.244 -0.819 3.470 1.00 32.14 N ATOM 252 CA ALA A 692 1.141 -1.745 2.788 1.00 21.44 C ATOM 253 C ALA A 692 2.348 -1.019 2.195 1.00 63.43 C ATOM 254 O ALA A 692 3.450 -1.557 2.187 1.00 32.23 O ATOM 255 CB ALA A 692 0.383 -2.512 1.693 1.00 63.42 C ATOM 0 H ALA A 692 -0.611 -0.617 2.952 1.00 32.14 H new ATOM 0 HA ALA A 692 1.512 -2.457 3.525 1.00 21.44 H new ATOM 0 HB1 ALA A 692 1.065 -3.200 1.192 1.00 63.42 H new ATOM 0 HB2 ALA A 692 -0.435 -3.075 2.143 1.00 63.42 H new ATOM 0 HB3 ALA A 692 -0.019 -1.806 0.966 1.00 63.42 H new ATOM 261 N VAL A 693 2.123 0.207 1.724 1.00 42.42 N ATOM 262 CA VAL A 693 3.163 1.042 1.099 1.00 72.11 C ATOM 263 C VAL A 693 4.479 1.123 1.925 1.00 13.21 C ATOM 264 O VAL A 693 5.529 0.706 1.425 1.00 64.50 O ATOM 265 CB VAL A 693 2.641 2.475 0.735 1.00 63.44 C ATOM 266 CG1 VAL A 693 3.749 3.342 0.172 1.00 72.33 C ATOM 267 CG2 VAL A 693 1.509 2.392 -0.269 1.00 64.23 C ATOM 0 H VAL A 693 1.209 0.657 1.763 1.00 42.42 H new ATOM 0 HA VAL A 693 3.411 0.529 0.170 1.00 72.11 H new ATOM 0 HB VAL A 693 2.277 2.930 1.656 1.00 63.44 H new ATOM 0 HG11 VAL A 693 3.352 4.328 -0.069 1.00 72.33 H new ATOM 0 HG12 VAL A 693 4.544 3.442 0.911 1.00 72.33 H new ATOM 0 HG13 VAL A 693 4.149 2.881 -0.731 1.00 72.33 H new ATOM 0 HG21 VAL A 693 1.161 3.397 -0.509 1.00 64.23 H new ATOM 0 HG22 VAL A 693 1.863 1.905 -1.177 1.00 64.23 H new ATOM 0 HG23 VAL A 693 0.688 1.815 0.156 1.00 64.23 H new ATOM 277 N PRO A 694 4.459 1.635 3.198 1.00 74.03 N ATOM 278 CA PRO A 694 5.681 1.748 4.001 1.00 1.30 C ATOM 279 C PRO A 694 6.325 0.388 4.251 1.00 33.44 C ATOM 280 O PRO A 694 7.544 0.256 4.226 1.00 73.33 O ATOM 281 CB PRO A 694 5.217 2.377 5.322 1.00 62.30 C ATOM 282 CG PRO A 694 3.745 2.159 5.358 1.00 61.01 C ATOM 283 CD PRO A 694 3.288 2.147 3.931 1.00 2.30 C ATOM 0 HA PRO A 694 6.440 2.343 3.493 1.00 1.30 H new ATOM 0 HB2 PRO A 694 5.706 1.908 6.176 1.00 62.30 H new ATOM 0 HB3 PRO A 694 5.460 3.439 5.360 1.00 62.30 H new ATOM 0 HG2 PRO A 694 3.503 1.218 5.852 1.00 61.01 H new ATOM 0 HG3 PRO A 694 3.248 2.950 5.919 1.00 61.01 H new ATOM 0 HD2 PRO A 694 2.417 1.506 3.794 1.00 2.30 H new ATOM 0 HD3 PRO A 694 3.007 3.144 3.591 1.00 2.30 H new ATOM 291 N ASP A 695 5.502 -0.620 4.452 1.00 73.45 N ATOM 292 CA ASP A 695 5.998 -1.956 4.710 1.00 24.32 C ATOM 293 C ASP A 695 6.729 -2.496 3.494 1.00 74.11 C ATOM 294 O ASP A 695 7.839 -3.019 3.604 1.00 1.21 O ATOM 295 CB ASP A 695 4.861 -2.897 5.112 1.00 32.15 C ATOM 296 CG ASP A 695 5.353 -4.296 5.411 1.00 21.13 C ATOM 297 OD1 ASP A 695 5.842 -4.537 6.538 1.00 40.44 O ATOM 298 OD2 ASP A 695 5.244 -5.183 4.533 1.00 53.22 O ATOM 0 H ASP A 695 4.485 -0.540 4.442 1.00 73.45 H new ATOM 0 HA ASP A 695 6.700 -1.900 5.542 1.00 24.32 H new ATOM 0 HB2 ASP A 695 4.354 -2.497 5.990 1.00 32.15 H new ATOM 0 HB3 ASP A 695 4.124 -2.937 4.310 1.00 32.15 H new ATOM 303 N ALA A 696 6.122 -2.334 2.334 1.00 35.32 N ATOM 304 CA ALA A 696 6.691 -2.798 1.083 1.00 53.40 C ATOM 305 C ALA A 696 7.967 -2.041 0.739 1.00 33.25 C ATOM 306 O ALA A 696 8.996 -2.656 0.433 1.00 33.42 O ATOM 307 CB ALA A 696 5.676 -2.671 -0.044 1.00 11.31 C ATOM 0 H ALA A 696 5.217 -1.875 2.232 1.00 35.32 H new ATOM 0 HA ALA A 696 6.950 -3.850 1.204 1.00 53.40 H new ATOM 0 HB1 ALA A 696 6.120 -3.024 -0.975 1.00 11.31 H new ATOM 0 HB2 ALA A 696 4.797 -3.271 0.189 1.00 11.31 H new ATOM 0 HB3 ALA A 696 5.383 -1.627 -0.154 1.00 11.31 H new ATOM 313 N VAL A 697 7.911 -0.713 0.821 1.00 42.53 N ATOM 314 CA VAL A 697 9.052 0.121 0.465 1.00 50.24 C ATOM 315 C VAL A 697 10.262 -0.176 1.362 1.00 14.32 C ATOM 316 O VAL A 697 11.373 -0.369 0.879 1.00 64.21 O ATOM 317 CB VAL A 697 8.718 1.663 0.468 1.00 22.10 C ATOM 318 CG1 VAL A 697 8.357 2.181 1.841 1.00 65.50 C ATOM 319 CG2 VAL A 697 9.860 2.457 -0.119 1.00 74.10 C ATOM 0 H VAL A 697 7.089 -0.195 1.130 1.00 42.53 H new ATOM 0 HA VAL A 697 9.307 -0.141 -0.562 1.00 50.24 H new ATOM 0 HB VAL A 697 7.836 1.794 -0.158 1.00 22.10 H new ATOM 0 HG11 VAL A 697 8.137 3.247 1.782 1.00 65.50 H new ATOM 0 HG12 VAL A 697 7.480 1.650 2.211 1.00 65.50 H new ATOM 0 HG13 VAL A 697 9.193 2.020 2.522 1.00 65.50 H new ATOM 0 HG21 VAL A 697 9.609 3.518 -0.108 1.00 74.10 H new ATOM 0 HG22 VAL A 697 10.761 2.291 0.472 1.00 74.10 H new ATOM 0 HG23 VAL A 697 10.036 2.137 -1.146 1.00 74.10 H new ATOM 329 N GLU A 698 10.031 -0.257 2.652 1.00 53.44 N ATOM 330 CA GLU A 698 11.092 -0.516 3.601 1.00 21.35 C ATOM 331 C GLU A 698 11.622 -1.929 3.490 1.00 2.45 C ATOM 332 O GLU A 698 12.792 -2.164 3.746 1.00 2.21 O ATOM 333 CB GLU A 698 10.655 -0.214 5.012 1.00 40.23 C ATOM 334 CG GLU A 698 10.357 1.239 5.250 1.00 35.02 C ATOM 335 CD GLU A 698 9.891 1.496 6.639 1.00 70.50 C ATOM 336 OE1 GLU A 698 10.714 1.407 7.568 1.00 20.30 O ATOM 337 OE2 GLU A 698 8.706 1.802 6.825 1.00 12.31 O ATOM 0 H GLU A 698 9.108 -0.146 3.073 1.00 53.44 H new ATOM 0 HA GLU A 698 11.911 0.158 3.350 1.00 21.35 H new ATOM 0 HB2 GLU A 698 9.766 -0.801 5.242 1.00 40.23 H new ATOM 0 HB3 GLU A 698 11.436 -0.534 5.702 1.00 40.23 H new ATOM 0 HG2 GLU A 698 11.252 1.829 5.054 1.00 35.02 H new ATOM 0 HG3 GLU A 698 9.595 1.572 4.545 1.00 35.02 H new ATOM 344 N SER A 699 10.775 -2.868 3.106 1.00 3.40 N ATOM 345 CA SER A 699 11.230 -4.230 2.896 1.00 32.14 C ATOM 346 C SER A 699 12.119 -4.291 1.660 1.00 5.31 C ATOM 347 O SER A 699 13.039 -5.106 1.579 1.00 71.54 O ATOM 348 CB SER A 699 10.049 -5.201 2.758 1.00 54.42 C ATOM 349 OG SER A 699 9.265 -5.227 3.946 1.00 2.03 O ATOM 0 H SER A 699 9.781 -2.715 2.935 1.00 3.40 H new ATOM 0 HA SER A 699 11.806 -4.537 3.769 1.00 32.14 H new ATOM 0 HB2 SER A 699 9.426 -4.904 1.914 1.00 54.42 H new ATOM 0 HB3 SER A 699 10.421 -6.203 2.542 1.00 54.42 H new ATOM 0 HG SER A 699 8.741 -4.401 4.010 1.00 2.03 H new ATOM 355 N ARG A 700 11.860 -3.390 0.722 1.00 33.34 N ATOM 356 CA ARG A 700 12.592 -3.339 -0.521 1.00 73.31 C ATOM 357 C ARG A 700 14.050 -2.963 -0.244 1.00 10.11 C ATOM 358 O ARG A 700 14.968 -3.542 -0.815 1.00 14.01 O ATOM 359 CB ARG A 700 11.985 -2.292 -1.454 1.00 71.15 C ATOM 360 CG ARG A 700 12.359 -2.476 -2.907 1.00 4.31 C ATOM 361 CD ARG A 700 11.586 -3.644 -3.494 1.00 60.34 C ATOM 362 NE ARG A 700 10.144 -3.342 -3.524 1.00 23.32 N ATOM 363 CZ ARG A 700 9.171 -4.090 -2.995 1.00 21.31 C ATOM 364 NH1 ARG A 700 9.450 -5.214 -2.338 1.00 43.34 N ATOM 365 NH2 ARG A 700 7.907 -3.700 -3.109 1.00 41.14 N ATOM 0 H ARG A 700 11.135 -2.677 0.808 1.00 33.34 H new ATOM 0 HA ARG A 700 12.539 -4.320 -0.994 1.00 73.31 H new ATOM 0 HB2 ARG A 700 10.899 -2.323 -1.362 1.00 71.15 H new ATOM 0 HB3 ARG A 700 12.304 -1.302 -1.129 1.00 71.15 H new ATOM 0 HG2 ARG A 700 12.141 -1.566 -3.466 1.00 4.31 H new ATOM 0 HG3 ARG A 700 13.430 -2.656 -2.996 1.00 4.31 H new ATOM 0 HD2 ARG A 700 11.941 -3.853 -4.503 1.00 60.34 H new ATOM 0 HD3 ARG A 700 11.764 -4.541 -2.901 1.00 60.34 H new ATOM 0 HE ARG A 700 9.862 -2.481 -3.993 1.00 23.32 H new ATOM 0 HH11 ARG A 700 10.419 -5.516 -2.232 1.00 43.34 H new ATOM 0 HH12 ARG A 700 8.695 -5.773 -1.940 1.00 43.34 H new ATOM 0 HH21 ARG A 700 7.683 -2.834 -3.598 1.00 41.14 H new ATOM 0 HH22 ARG A 700 7.160 -4.267 -2.707 1.00 41.14 H new ATOM 379 N TYR A 701 14.254 -1.988 0.646 1.00 51.31 N ATOM 380 CA TYR A 701 15.605 -1.545 0.954 1.00 21.13 C ATOM 381 C TYR A 701 16.118 -2.124 2.268 1.00 72.42 C ATOM 382 O TYR A 701 17.189 -1.744 2.744 1.00 60.34 O ATOM 383 CB TYR A 701 15.749 0.003 0.918 1.00 65.51 C ATOM 384 CG TYR A 701 14.949 0.833 1.940 1.00 63.14 C ATOM 385 CD1 TYR A 701 15.442 1.074 3.217 1.00 41.30 C ATOM 386 CD2 TYR A 701 13.736 1.423 1.597 1.00 31.41 C ATOM 387 CE1 TYR A 701 14.754 1.875 4.113 1.00 32.34 C ATOM 388 CE2 TYR A 701 13.041 2.211 2.491 1.00 11.52 C ATOM 389 CZ TYR A 701 13.552 2.438 3.741 1.00 41.44 C ATOM 390 OH TYR A 701 12.865 3.263 4.626 1.00 63.33 O ATOM 0 H TYR A 701 13.514 -1.503 1.154 1.00 51.31 H new ATOM 0 HA TYR A 701 16.238 -1.939 0.159 1.00 21.13 H new ATOM 0 HB2 TYR A 701 16.804 0.242 1.048 1.00 65.51 H new ATOM 0 HB3 TYR A 701 15.466 0.340 -0.079 1.00 65.51 H new ATOM 0 HD1 TYR A 701 16.379 0.628 3.516 1.00 41.30 H new ATOM 0 HD2 TYR A 701 13.330 1.260 0.610 1.00 31.41 H new ATOM 0 HE1 TYR A 701 15.157 2.058 5.098 1.00 32.34 H new ATOM 0 HE2 TYR A 701 12.096 2.648 2.206 1.00 11.52 H new ATOM 0 HH TYR A 701 12.176 3.763 4.140 1.00 63.33 H new ATOM 400 N SER A 702 15.375 -3.067 2.826 1.00 10.32 N ATOM 401 CA SER A 702 15.745 -3.704 4.085 1.00 54.32 C ATOM 402 C SER A 702 17.072 -4.439 3.919 1.00 72.12 C ATOM 403 O SER A 702 18.033 -4.217 4.677 1.00 35.01 O ATOM 404 CB SER A 702 14.637 -4.672 4.526 1.00 53.21 C ATOM 405 OG SER A 702 14.921 -5.271 5.774 1.00 4.31 O ATOM 0 H SER A 702 14.504 -3.412 2.424 1.00 10.32 H new ATOM 0 HA SER A 702 15.864 -2.943 4.857 1.00 54.32 H new ATOM 0 HB2 SER A 702 13.691 -4.135 4.589 1.00 53.21 H new ATOM 0 HB3 SER A 702 14.513 -5.449 3.771 1.00 53.21 H new ATOM 0 HG SER A 702 14.192 -5.878 6.019 1.00 4.31 H new ATOM 411 N ARG A 703 17.132 -5.290 2.924 1.00 73.13 N ATOM 412 CA ARG A 703 18.331 -6.009 2.606 1.00 44.45 C ATOM 413 C ARG A 703 18.170 -6.510 1.193 1.00 64.34 C ATOM 414 O ARG A 703 17.031 -6.593 0.697 1.00 3.41 O ATOM 415 CB ARG A 703 18.537 -7.215 3.562 1.00 54.41 C ATOM 416 CG ARG A 703 17.643 -8.424 3.278 1.00 15.02 C ATOM 417 CD ARG A 703 17.876 -9.538 4.280 1.00 2.11 C ATOM 418 NE ARG A 703 17.336 -10.819 3.809 1.00 62.23 N ATOM 419 CZ ARG A 703 16.974 -11.848 4.580 1.00 42.32 C ATOM 420 NH1 ARG A 703 16.901 -11.711 5.898 1.00 1.12 N ATOM 421 NH2 ARG A 703 16.667 -13.013 4.019 1.00 24.13 N ATOM 0 H ARG A 703 16.344 -5.501 2.312 1.00 73.13 H new ATOM 0 HA ARG A 703 19.199 -5.358 2.713 1.00 44.45 H new ATOM 0 HB2 ARG A 703 19.579 -7.531 3.505 1.00 54.41 H new ATOM 0 HB3 ARG A 703 18.360 -6.883 4.585 1.00 54.41 H new ATOM 0 HG2 ARG A 703 16.597 -8.119 3.309 1.00 15.02 H new ATOM 0 HG3 ARG A 703 17.838 -8.793 2.271 1.00 15.02 H new ATOM 0 HD2 ARG A 703 18.945 -9.641 4.466 1.00 2.11 H new ATOM 0 HD3 ARG A 703 17.411 -9.275 5.230 1.00 2.11 H new ATOM 0 HE ARG A 703 17.227 -10.934 2.801 1.00 62.23 H new ATOM 0 HH11 ARG A 703 17.122 -10.814 6.331 1.00 1.12 H new ATOM 0 HH12 ARG A 703 16.624 -12.503 6.478 1.00 1.12 H new ATOM 0 HH21 ARG A 703 16.709 -13.118 3.005 1.00 24.13 H new ATOM 0 HH22 ARG A 703 16.390 -13.803 4.602 1.00 24.13 H new ATOM 435 N THR A 704 19.249 -6.811 0.542 1.00 2.30 N ATOM 436 CA THR A 704 19.173 -7.400 -0.752 1.00 44.22 C ATOM 437 C THR A 704 18.754 -8.857 -0.618 1.00 25.32 C ATOM 438 O THR A 704 19.410 -9.643 0.096 1.00 41.01 O ATOM 439 CB THR A 704 20.491 -7.247 -1.530 1.00 30.20 C ATOM 440 OG1 THR A 704 21.602 -7.667 -0.719 1.00 13.23 O ATOM 441 CG2 THR A 704 20.681 -5.805 -1.957 1.00 54.23 C ATOM 0 H THR A 704 20.196 -6.657 0.889 1.00 2.30 H new ATOM 0 HA THR A 704 18.419 -6.872 -1.335 1.00 44.22 H new ATOM 0 HB THR A 704 20.445 -7.878 -2.418 1.00 30.20 H new ATOM 0 HG1 THR A 704 21.382 -8.513 -0.276 1.00 13.23 H new ATOM 0 HG21 THR A 704 21.617 -5.709 -2.507 1.00 54.23 H new ATOM 0 HG22 THR A 704 19.852 -5.503 -2.597 1.00 54.23 H new ATOM 0 HG23 THR A 704 20.711 -5.165 -1.075 1.00 54.23 H new ATOM 449 N GLU A 705 17.653 -9.189 -1.276 1.00 72.33 N ATOM 450 CA GLU A 705 17.015 -10.489 -1.204 1.00 52.32 C ATOM 451 C GLU A 705 16.435 -10.726 0.198 1.00 2.52 C ATOM 452 O GLU A 705 17.149 -11.094 1.133 1.00 51.52 O ATOM 453 CB GLU A 705 17.957 -11.628 -1.600 1.00 14.14 C ATOM 454 CG GLU A 705 17.287 -12.973 -1.587 1.00 71.24 C ATOM 455 CD GLU A 705 18.242 -14.098 -1.832 1.00 20.11 C ATOM 456 OE1 GLU A 705 18.867 -14.573 -0.864 1.00 41.34 O ATOM 457 OE2 GLU A 705 18.370 -14.545 -2.978 1.00 65.42 O ATOM 0 H GLU A 705 17.166 -8.539 -1.893 1.00 72.33 H new ATOM 0 HA GLU A 705 16.201 -10.487 -1.929 1.00 52.32 H new ATOM 0 HB2 GLU A 705 18.353 -11.435 -2.597 1.00 14.14 H new ATOM 0 HB3 GLU A 705 18.806 -11.644 -0.917 1.00 14.14 H new ATOM 0 HG2 GLU A 705 16.798 -13.121 -0.624 1.00 71.24 H new ATOM 0 HG3 GLU A 705 16.507 -12.993 -2.348 1.00 71.24 H new ATOM 464 N GLY A 706 15.167 -10.473 0.342 1.00 74.21 N ATOM 465 CA GLY A 706 14.507 -10.680 1.598 1.00 52.11 C ATOM 466 C GLY A 706 13.220 -11.418 1.400 1.00 31.53 C ATOM 467 O GLY A 706 13.073 -12.562 1.843 1.00 3.53 O ATOM 0 H GLY A 706 14.565 -10.120 -0.402 1.00 74.21 H new ATOM 0 HA2 GLY A 706 15.156 -11.243 2.268 1.00 52.11 H new ATOM 0 HA3 GLY A 706 14.312 -9.720 2.076 1.00 52.11 H new ATOM 471 N SER A 707 12.297 -10.773 0.717 1.00 5.43 N ATOM 472 CA SER A 707 11.012 -11.337 0.399 1.00 22.12 C ATOM 473 C SER A 707 10.286 -10.396 -0.542 1.00 43.52 C ATOM 474 O SER A 707 10.438 -9.163 -0.456 1.00 22.40 O ATOM 475 CB SER A 707 10.160 -11.573 1.675 1.00 0.44 C ATOM 476 OG SER A 707 8.905 -12.193 1.364 1.00 25.55 O ATOM 0 H SER A 707 12.426 -9.825 0.363 1.00 5.43 H new ATOM 0 HA SER A 707 11.164 -12.306 -0.076 1.00 22.12 H new ATOM 0 HB2 SER A 707 10.714 -12.201 2.372 1.00 0.44 H new ATOM 0 HB3 SER A 707 9.982 -10.621 2.176 1.00 0.44 H new ATOM 0 HG SER A 707 8.394 -12.329 2.189 1.00 25.55 H new ATOM 482 N LEU A 708 9.533 -10.957 -1.443 1.00 62.44 N ATOM 483 CA LEU A 708 8.737 -10.189 -2.344 1.00 64.31 C ATOM 484 C LEU A 708 7.373 -10.041 -1.733 1.00 3.25 C ATOM 485 O LEU A 708 6.733 -11.033 -1.382 1.00 22.50 O ATOM 486 CB LEU A 708 8.629 -10.845 -3.747 1.00 60.24 C ATOM 487 CG LEU A 708 9.925 -10.999 -4.582 1.00 51.31 C ATOM 488 CD1 LEU A 708 10.641 -9.673 -4.747 1.00 31.10 C ATOM 489 CD2 LEU A 708 10.853 -12.068 -4.020 1.00 45.11 C ATOM 0 H LEU A 708 9.456 -11.966 -1.571 1.00 62.44 H new ATOM 0 HA LEU A 708 9.209 -9.218 -2.496 1.00 64.31 H new ATOM 0 HB2 LEU A 708 8.195 -11.837 -3.619 1.00 60.24 H new ATOM 0 HB3 LEU A 708 7.921 -10.261 -4.335 1.00 60.24 H new ATOM 0 HG LEU A 708 9.621 -11.337 -5.573 1.00 51.31 H new ATOM 0 HD11 LEU A 708 11.545 -9.819 -5.338 1.00 31.10 H new ATOM 0 HD12 LEU A 708 9.985 -8.966 -5.256 1.00 31.10 H new ATOM 0 HD13 LEU A 708 10.908 -9.279 -3.766 1.00 31.10 H new ATOM 0 HD21 LEU A 708 11.746 -12.137 -4.641 1.00 45.11 H new ATOM 0 HD22 LEU A 708 11.138 -11.804 -3.002 1.00 45.11 H new ATOM 0 HD23 LEU A 708 10.340 -13.029 -4.015 1.00 45.11 H new ATOM 501 N ASP A 709 6.928 -8.821 -1.587 1.00 15.02 N ATOM 502 CA ASP A 709 5.629 -8.553 -0.975 1.00 24.31 C ATOM 503 C ASP A 709 4.531 -8.845 -1.967 1.00 53.43 C ATOM 504 O ASP A 709 3.381 -9.090 -1.595 1.00 25.23 O ATOM 505 CB ASP A 709 5.521 -7.092 -0.504 1.00 64.00 C ATOM 506 CG ASP A 709 5.525 -6.095 -1.644 1.00 62.03 C ATOM 507 OD1 ASP A 709 6.608 -5.825 -2.197 1.00 35.50 O ATOM 508 OD2 ASP A 709 4.451 -5.585 -2.012 1.00 14.34 O ATOM 0 H ASP A 709 7.438 -7.988 -1.880 1.00 15.02 H new ATOM 0 HA ASP A 709 5.526 -9.200 -0.104 1.00 24.31 H new ATOM 0 HB2 ASP A 709 4.604 -6.970 0.073 1.00 64.00 H new ATOM 0 HB3 ASP A 709 6.352 -6.871 0.166 1.00 64.00 H new ATOM 513 N GLY A 710 4.898 -8.838 -3.215 1.00 65.01 N ATOM 514 CA GLY A 710 3.980 -9.064 -4.263 1.00 61.41 C ATOM 515 C GLY A 710 4.291 -8.165 -5.415 1.00 22.13 C ATOM 516 O GLY A 710 5.438 -7.720 -5.569 1.00 63.11 O ATOM 0 H GLY A 710 5.856 -8.672 -3.524 1.00 65.01 H new ATOM 0 HA2 GLY A 710 4.027 -10.106 -4.581 1.00 61.41 H new ATOM 0 HA3 GLY A 710 2.964 -8.883 -3.913 1.00 61.41 H new ATOM 520 N THR A 711 3.308 -7.887 -6.197 1.00 33.44 N ATOM 521 CA THR A 711 3.443 -7.048 -7.335 1.00 51.33 C ATOM 522 C THR A 711 2.062 -6.488 -7.699 1.00 33.03 C ATOM 523 O THR A 711 1.801 -5.299 -7.404 1.00 39.89 O ATOM 524 CB THR A 711 4.164 -7.788 -8.532 1.00 4.45 C ATOM 525 OG1 THR A 711 4.211 -6.980 -9.721 1.00 12.43 O ATOM 526 CG2 THR A 711 3.550 -9.157 -8.836 1.00 25.05 C ATOM 527 OXT THR A 711 1.196 -7.253 -8.171 1.00 39.89 O ATOM 0 H THR A 711 2.363 -8.246 -6.059 1.00 33.44 H new ATOM 0 HA THR A 711 4.096 -6.208 -7.101 1.00 51.33 H new ATOM 0 HB THR A 711 5.188 -7.956 -8.199 1.00 4.45 H new ATOM 0 HG1 THR A 711 4.666 -7.474 -10.435 1.00 12.43 H new ATOM 0 HG21 THR A 711 4.084 -9.619 -9.666 1.00 25.05 H new ATOM 0 HG22 THR A 711 3.627 -9.794 -7.955 1.00 25.05 H new ATOM 0 HG23 THR A 711 2.501 -9.034 -9.104 1.00 25.05 H new TER 535 THR A 711