USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 THR OG1 : rot 180:sc= 0 USER MOD Single : A 684 THR OG1 : rot -170:sc= 0.0035 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 180:sc= 0 USER MOD Single : A 701 TYR OH : rot 180:sc= 0 USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 704 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 707 SER OG : rot 180:sc= 0 USER MOD Single : A 711 THR OG1 : rot -73:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 677 -5.109 -5.372 5.725 1.00 73.34 N ATOM 2 CA LEU A 677 -5.454 -6.641 6.347 1.00 3.03 C ATOM 3 C LEU A 677 -6.881 -6.536 6.817 1.00 63.25 C ATOM 4 O LEU A 677 -7.182 -5.748 7.712 1.00 44.41 O ATOM 5 CB LEU A 677 -4.472 -6.938 7.527 1.00 41.23 C ATOM 6 CG LEU A 677 -4.513 -8.345 8.202 1.00 74.10 C ATOM 7 CD1 LEU A 677 -3.364 -8.478 9.182 1.00 34.44 C ATOM 8 CD2 LEU A 677 -5.827 -8.604 8.939 1.00 72.55 C ATOM 0 HA LEU A 677 -5.363 -7.469 5.644 1.00 3.03 H new ATOM 0 HB2 LEU A 677 -3.458 -6.777 7.161 1.00 41.23 H new ATOM 0 HB3 LEU A 677 -4.653 -6.194 8.303 1.00 41.23 H new ATOM 0 HG LEU A 677 -4.427 -9.083 7.404 1.00 74.10 H new ATOM 0 HD11 LEU A 677 -3.397 -9.462 9.650 1.00 34.44 H new ATOM 0 HD12 LEU A 677 -2.419 -8.360 8.652 1.00 34.44 H new ATOM 0 HD13 LEU A 677 -3.449 -7.708 9.949 1.00 34.44 H new ATOM 0 HD21 LEU A 677 -5.802 -9.596 9.390 1.00 72.55 H new ATOM 0 HD22 LEU A 677 -5.961 -7.854 9.719 1.00 72.55 H new ATOM 0 HD23 LEU A 677 -6.657 -8.546 8.235 1.00 72.55 H new ATOM 20 N GLY A 678 -7.761 -7.296 6.201 1.00 43.34 N ATOM 21 CA GLY A 678 -9.148 -7.246 6.566 1.00 23.50 C ATOM 22 C GLY A 678 -9.863 -6.198 5.765 1.00 71.32 C ATOM 23 O GLY A 678 -10.310 -5.182 6.307 1.00 54.44 O ATOM 0 H GLY A 678 -7.536 -7.950 5.451 1.00 43.34 H new ATOM 0 HA2 GLY A 678 -9.610 -8.219 6.398 1.00 23.50 H new ATOM 0 HA3 GLY A 678 -9.243 -7.027 7.630 1.00 23.50 H new ATOM 27 N LYS A 679 -9.950 -6.413 4.474 1.00 33.42 N ATOM 28 CA LYS A 679 -10.610 -5.476 3.602 1.00 21.41 C ATOM 29 C LYS A 679 -12.087 -5.795 3.521 1.00 14.32 C ATOM 30 O LYS A 679 -12.504 -6.910 3.858 1.00 71.11 O ATOM 31 CB LYS A 679 -9.966 -5.441 2.207 1.00 0.11 C ATOM 32 CG LYS A 679 -9.979 -6.764 1.454 1.00 54.41 C ATOM 33 CD LYS A 679 -9.340 -6.618 0.083 1.00 40.21 C ATOM 34 CE LYS A 679 -9.399 -7.916 -0.700 1.00 12.22 C ATOM 35 NZ LYS A 679 -8.794 -7.777 -2.044 1.00 40.32 N ATOM 0 H LYS A 679 -9.569 -7.234 4.004 1.00 33.42 H new ATOM 0 HA LYS A 679 -10.493 -4.478 4.025 1.00 21.41 H new ATOM 0 HB2 LYS A 679 -10.482 -4.693 1.605 1.00 0.11 H new ATOM 0 HB3 LYS A 679 -8.933 -5.110 2.310 1.00 0.11 H new ATOM 0 HG2 LYS A 679 -9.444 -7.519 2.030 1.00 54.41 H new ATOM 0 HG3 LYS A 679 -11.005 -7.114 1.345 1.00 54.41 H new ATOM 0 HD2 LYS A 679 -9.849 -5.832 -0.475 1.00 40.21 H new ATOM 0 HD3 LYS A 679 -8.301 -6.307 0.196 1.00 40.21 H new ATOM 0 HE2 LYS A 679 -8.879 -8.698 -0.147 1.00 12.22 H new ATOM 0 HE3 LYS A 679 -10.437 -8.233 -0.800 1.00 12.22 H new ATOM 0 HZ1 LYS A 679 -8.854 -8.685 -2.547 1.00 40.32 H new ATOM 0 HZ2 LYS A 679 -9.306 -7.049 -2.582 1.00 40.32 H new ATOM 0 HZ3 LYS A 679 -7.796 -7.499 -1.949 1.00 40.32 H new ATOM 49 N LYS A 680 -12.874 -4.833 3.092 1.00 44.43 N ATOM 50 CA LYS A 680 -14.301 -5.011 3.013 1.00 32.14 C ATOM 51 C LYS A 680 -14.892 -4.003 2.034 1.00 5.21 C ATOM 52 O LYS A 680 -15.462 -4.371 1.008 1.00 33.42 O ATOM 53 CB LYS A 680 -14.915 -4.852 4.406 1.00 11.14 C ATOM 54 CG LYS A 680 -16.397 -5.113 4.464 1.00 73.53 C ATOM 55 CD LYS A 680 -16.910 -4.982 5.874 1.00 43.35 C ATOM 56 CE LYS A 680 -18.392 -5.263 5.949 1.00 44.15 C ATOM 57 NZ LYS A 680 -18.891 -5.179 7.331 1.00 71.43 N ATOM 0 H LYS A 680 -12.544 -3.916 2.792 1.00 44.43 H new ATOM 0 HA LYS A 680 -14.529 -6.013 2.649 1.00 32.14 H new ATOM 0 HB2 LYS A 680 -14.411 -5.533 5.092 1.00 11.14 H new ATOM 0 HB3 LYS A 680 -14.722 -3.840 4.762 1.00 11.14 H new ATOM 0 HG2 LYS A 680 -16.920 -4.410 3.816 1.00 73.53 H new ATOM 0 HG3 LYS A 680 -16.609 -6.113 4.087 1.00 73.53 H new ATOM 0 HD2 LYS A 680 -16.374 -5.674 6.524 1.00 43.35 H new ATOM 0 HD3 LYS A 680 -16.710 -3.976 6.244 1.00 43.35 H new ATOM 0 HE2 LYS A 680 -18.930 -4.551 5.324 1.00 44.15 H new ATOM 0 HE3 LYS A 680 -18.595 -6.256 5.548 1.00 44.15 H new ATOM 0 HZ1 LYS A 680 -19.912 -5.378 7.344 1.00 71.43 H new ATOM 0 HZ2 LYS A 680 -18.395 -5.876 7.922 1.00 71.43 H new ATOM 0 HZ3 LYS A 680 -18.719 -4.224 7.705 1.00 71.43 H new ATOM 71 N ASP A 681 -14.740 -2.740 2.345 1.00 64.53 N ATOM 72 CA ASP A 681 -15.209 -1.682 1.473 1.00 43.03 C ATOM 73 C ASP A 681 -14.018 -1.173 0.670 1.00 73.45 C ATOM 74 O ASP A 681 -12.865 -1.409 1.066 1.00 55.44 O ATOM 75 CB ASP A 681 -15.827 -0.546 2.314 1.00 72.24 C ATOM 76 CG ASP A 681 -16.396 0.589 1.484 1.00 14.11 C ATOM 77 OD1 ASP A 681 -17.597 0.541 1.131 1.00 40.32 O ATOM 78 OD2 ASP A 681 -15.651 1.553 1.191 1.00 5.11 O ATOM 0 H ASP A 681 -14.292 -2.414 3.201 1.00 64.53 H new ATOM 0 HA ASP A 681 -15.978 -2.054 0.796 1.00 43.03 H new ATOM 0 HB2 ASP A 681 -16.618 -0.959 2.940 1.00 72.24 H new ATOM 0 HB3 ASP A 681 -15.066 -0.147 2.985 1.00 72.24 H new ATOM 83 N THR A 682 -14.272 -0.497 -0.439 1.00 73.12 N ATOM 84 CA THR A 682 -13.222 0.035 -1.290 1.00 73.13 C ATOM 85 C THR A 682 -12.263 0.958 -0.492 1.00 31.44 C ATOM 86 O THR A 682 -11.041 0.950 -0.714 1.00 32.02 O ATOM 87 CB THR A 682 -13.840 0.794 -2.484 1.00 21.31 C ATOM 88 OG1 THR A 682 -14.751 -0.080 -3.185 1.00 71.43 O ATOM 89 CG2 THR A 682 -12.764 1.254 -3.448 1.00 11.32 C ATOM 0 H THR A 682 -15.215 -0.302 -0.775 1.00 73.12 H new ATOM 0 HA THR A 682 -12.635 -0.801 -1.670 1.00 73.13 H new ATOM 0 HB THR A 682 -14.367 1.668 -2.101 1.00 21.31 H new ATOM 0 HG1 THR A 682 -15.146 0.399 -3.943 1.00 71.43 H new ATOM 0 HG21 THR A 682 -13.225 1.786 -4.280 1.00 11.32 H new ATOM 0 HG22 THR A 682 -12.072 1.919 -2.931 1.00 11.32 H new ATOM 0 HG23 THR A 682 -12.221 0.388 -3.827 1.00 11.32 H new ATOM 97 N GLU A 683 -12.814 1.695 0.467 1.00 1.41 N ATOM 98 CA GLU A 683 -12.018 2.595 1.309 1.00 43.31 C ATOM 99 C GLU A 683 -11.086 1.804 2.185 1.00 42.44 C ATOM 100 O GLU A 683 -9.953 2.217 2.445 1.00 25.32 O ATOM 101 CB GLU A 683 -12.912 3.444 2.190 1.00 2.41 C ATOM 102 CG GLU A 683 -13.793 4.392 1.434 1.00 14.03 C ATOM 103 CD GLU A 683 -13.020 5.454 0.706 1.00 60.14 C ATOM 104 OE1 GLU A 683 -12.646 5.240 -0.462 1.00 13.31 O ATOM 105 OE2 GLU A 683 -12.786 6.531 1.293 1.00 1.43 O ATOM 0 H GLU A 683 -13.811 1.690 0.684 1.00 1.41 H new ATOM 0 HA GLU A 683 -11.443 3.244 0.648 1.00 43.31 H new ATOM 0 HB2 GLU A 683 -13.537 2.787 2.795 1.00 2.41 H new ATOM 0 HB3 GLU A 683 -12.289 4.015 2.879 1.00 2.41 H new ATOM 0 HG2 GLU A 683 -14.392 3.830 0.717 1.00 14.03 H new ATOM 0 HG3 GLU A 683 -14.487 4.866 2.128 1.00 14.03 H new ATOM 112 N THR A 684 -11.560 0.666 2.628 1.00 51.43 N ATOM 113 CA THR A 684 -10.802 -0.208 3.471 1.00 33.42 C ATOM 114 C THR A 684 -9.594 -0.734 2.692 1.00 31.45 C ATOM 115 O THR A 684 -8.482 -0.808 3.211 1.00 31.24 O ATOM 116 CB THR A 684 -11.673 -1.394 3.904 1.00 2.44 C ATOM 117 OG1 THR A 684 -12.923 -0.908 4.411 1.00 5.55 O ATOM 118 CG2 THR A 684 -10.980 -2.179 4.980 1.00 40.30 C ATOM 0 H THR A 684 -12.494 0.322 2.408 1.00 51.43 H new ATOM 0 HA THR A 684 -10.469 0.339 4.353 1.00 33.42 H new ATOM 0 HB THR A 684 -11.845 -2.039 3.042 1.00 2.44 H new ATOM 0 HG1 THR A 684 -13.414 -1.645 4.831 1.00 5.55 H new ATOM 0 HG21 THR A 684 -11.608 -3.018 5.280 1.00 40.30 H new ATOM 0 HG22 THR A 684 -10.029 -2.554 4.602 1.00 40.30 H new ATOM 0 HG23 THR A 684 -10.800 -1.535 5.841 1.00 40.30 H new ATOM 126 N VAL A 685 -9.834 -1.046 1.435 1.00 74.03 N ATOM 127 CA VAL A 685 -8.813 -1.569 0.548 1.00 61.23 C ATOM 128 C VAL A 685 -7.714 -0.563 0.357 1.00 13.11 C ATOM 129 O VAL A 685 -6.550 -0.862 0.564 1.00 72.32 O ATOM 130 CB VAL A 685 -9.408 -1.935 -0.811 1.00 33.35 C ATOM 131 CG1 VAL A 685 -8.338 -2.473 -1.757 1.00 41.23 C ATOM 132 CG2 VAL A 685 -10.493 -2.945 -0.615 1.00 54.23 C ATOM 0 H VAL A 685 -10.749 -0.943 0.996 1.00 74.03 H new ATOM 0 HA VAL A 685 -8.402 -2.468 1.008 1.00 61.23 H new ATOM 0 HB VAL A 685 -9.824 -1.037 -1.267 1.00 33.35 H new ATOM 0 HG11 VAL A 685 -8.793 -2.724 -2.715 1.00 41.23 H new ATOM 0 HG12 VAL A 685 -7.570 -1.714 -1.908 1.00 41.23 H new ATOM 0 HG13 VAL A 685 -7.886 -3.366 -1.325 1.00 41.23 H new ATOM 0 HG21 VAL A 685 -10.922 -3.210 -1.581 1.00 54.23 H new ATOM 0 HG22 VAL A 685 -10.079 -3.837 -0.144 1.00 54.23 H new ATOM 0 HG23 VAL A 685 -11.270 -2.525 0.024 1.00 54.23 H new ATOM 142 N TYR A 686 -8.075 0.642 -0.008 1.00 1.03 N ATOM 143 CA TYR A 686 -7.078 1.655 -0.199 1.00 71.11 C ATOM 144 C TYR A 686 -6.387 2.036 1.088 1.00 55.21 C ATOM 145 O TYR A 686 -5.255 2.461 1.064 1.00 4.14 O ATOM 146 CB TYR A 686 -7.589 2.848 -0.986 1.00 20.22 C ATOM 147 CG TYR A 686 -7.876 2.489 -2.420 1.00 15.54 C ATOM 148 CD1 TYR A 686 -6.831 2.231 -3.297 1.00 13.23 C ATOM 149 CD2 TYR A 686 -9.169 2.384 -2.894 1.00 62.33 C ATOM 150 CE1 TYR A 686 -7.067 1.885 -4.604 1.00 3.33 C ATOM 151 CE2 TYR A 686 -9.413 2.034 -4.207 1.00 33.10 C ATOM 152 CZ TYR A 686 -8.358 1.788 -5.056 1.00 22.32 C ATOM 153 OH TYR A 686 -8.594 1.431 -6.369 1.00 23.42 O ATOM 0 H TYR A 686 -9.036 0.939 -0.176 1.00 1.03 H new ATOM 0 HA TYR A 686 -6.307 1.209 -0.827 1.00 71.11 H new ATOM 0 HB2 TYR A 686 -8.496 3.231 -0.518 1.00 20.22 H new ATOM 0 HB3 TYR A 686 -6.851 3.649 -0.952 1.00 20.22 H new ATOM 0 HD1 TYR A 686 -5.813 2.304 -2.944 1.00 13.23 H new ATOM 0 HD2 TYR A 686 -9.998 2.578 -2.230 1.00 62.33 H new ATOM 0 HE1 TYR A 686 -6.241 1.690 -5.272 1.00 3.33 H new ATOM 0 HE2 TYR A 686 -10.428 1.954 -4.567 1.00 33.10 H new ATOM 0 HH TYR A 686 -9.560 1.405 -6.532 1.00 23.42 H new ATOM 163 N SER A 687 -7.045 1.824 2.208 1.00 54.23 N ATOM 164 CA SER A 687 -6.428 2.100 3.490 1.00 1.23 C ATOM 165 C SER A 687 -5.334 1.062 3.756 1.00 33.21 C ATOM 166 O SER A 687 -4.231 1.412 4.218 1.00 3.14 O ATOM 167 CB SER A 687 -7.475 2.116 4.617 1.00 52.34 C ATOM 168 OG SER A 687 -6.887 2.431 5.875 1.00 74.14 O ATOM 0 H SER A 687 -7.998 1.465 2.259 1.00 54.23 H new ATOM 0 HA SER A 687 -5.975 3.091 3.465 1.00 1.23 H new ATOM 0 HB2 SER A 687 -8.250 2.846 4.384 1.00 52.34 H new ATOM 0 HB3 SER A 687 -7.962 1.143 4.676 1.00 52.34 H new ATOM 0 HG SER A 687 -7.580 2.434 6.568 1.00 74.14 H new ATOM 174 N GLU A 688 -5.613 -0.208 3.441 1.00 2.41 N ATOM 175 CA GLU A 688 -4.610 -1.228 3.604 1.00 41.33 C ATOM 176 C GLU A 688 -3.519 -1.117 2.561 1.00 42.21 C ATOM 177 O GLU A 688 -2.362 -1.423 2.838 1.00 0.24 O ATOM 178 CB GLU A 688 -5.167 -2.643 3.715 1.00 12.40 C ATOM 179 CG GLU A 688 -6.067 -3.101 2.600 1.00 4.10 C ATOM 180 CD GLU A 688 -6.378 -4.558 2.740 1.00 23.12 C ATOM 181 OE1 GLU A 688 -6.968 -4.956 3.768 1.00 50.12 O ATOM 182 OE2 GLU A 688 -6.006 -5.341 1.862 1.00 74.23 O ATOM 0 H GLU A 688 -6.509 -0.535 3.080 1.00 2.41 H new ATOM 0 HA GLU A 688 -4.156 -1.033 4.576 1.00 41.33 H new ATOM 0 HB2 GLU A 688 -4.328 -3.335 3.782 1.00 12.40 H new ATOM 0 HB3 GLU A 688 -5.719 -2.720 4.652 1.00 12.40 H new ATOM 0 HG2 GLU A 688 -6.991 -2.523 2.611 1.00 4.10 H new ATOM 0 HG3 GLU A 688 -5.587 -2.917 1.639 1.00 4.10 H new ATOM 189 N VAL A 689 -3.877 -0.652 1.369 1.00 21.23 N ATOM 190 CA VAL A 689 -2.885 -0.387 0.336 1.00 60.31 C ATOM 191 C VAL A 689 -1.968 0.740 0.792 1.00 41.23 C ATOM 192 O VAL A 689 -0.778 0.709 0.553 1.00 33.40 O ATOM 193 CB VAL A 689 -3.527 -0.054 -1.049 1.00 42.32 C ATOM 194 CG1 VAL A 689 -2.461 0.329 -2.075 1.00 14.13 C ATOM 195 CG2 VAL A 689 -4.302 -1.252 -1.560 1.00 54.40 C ATOM 0 H VAL A 689 -4.839 -0.452 1.096 1.00 21.23 H new ATOM 0 HA VAL A 689 -2.306 -1.299 0.191 1.00 60.31 H new ATOM 0 HB VAL A 689 -4.199 0.793 -0.912 1.00 42.32 H new ATOM 0 HG11 VAL A 689 -2.938 0.555 -3.028 1.00 14.13 H new ATOM 0 HG12 VAL A 689 -1.917 1.206 -1.724 1.00 14.13 H new ATOM 0 HG13 VAL A 689 -1.766 -0.501 -2.205 1.00 14.13 H new ATOM 0 HG21 VAL A 689 -4.747 -1.013 -2.526 1.00 54.40 H new ATOM 0 HG22 VAL A 689 -3.628 -2.101 -1.672 1.00 54.40 H new ATOM 0 HG23 VAL A 689 -5.090 -1.505 -0.851 1.00 54.40 H new ATOM 205 N ARG A 690 -2.530 1.717 1.490 1.00 45.23 N ATOM 206 CA ARG A 690 -1.755 2.800 2.039 1.00 41.23 C ATOM 207 C ARG A 690 -0.759 2.313 3.091 1.00 55.13 C ATOM 208 O ARG A 690 0.314 2.891 3.235 1.00 62.43 O ATOM 209 CB ARG A 690 -2.654 3.918 2.562 1.00 14.40 C ATOM 210 CG ARG A 690 -3.364 4.706 1.471 1.00 52.54 C ATOM 211 CD ARG A 690 -2.381 5.400 0.531 1.00 22.21 C ATOM 212 NE ARG A 690 -1.559 6.403 1.206 1.00 12.34 N ATOM 213 CZ ARG A 690 -0.532 7.049 0.636 1.00 13.44 C ATOM 214 NH1 ARG A 690 -0.170 6.761 -0.616 1.00 24.41 N ATOM 215 NH2 ARG A 690 0.134 7.966 1.319 1.00 22.30 N ATOM 0 H ARG A 690 -3.529 1.774 1.686 1.00 45.23 H new ATOM 0 HA ARG A 690 -1.162 3.222 1.228 1.00 41.23 H new ATOM 0 HB2 ARG A 690 -3.401 3.487 3.229 1.00 14.40 H new ATOM 0 HB3 ARG A 690 -2.053 4.604 3.158 1.00 14.40 H new ATOM 0 HG2 ARG A 690 -4.002 4.035 0.896 1.00 52.54 H new ATOM 0 HG3 ARG A 690 -4.015 5.451 1.928 1.00 52.54 H new ATOM 0 HD2 ARG A 690 -1.732 4.652 0.076 1.00 22.21 H new ATOM 0 HD3 ARG A 690 -2.935 5.876 -0.278 1.00 22.21 H new ATOM 0 HE ARG A 690 -1.782 6.626 2.176 1.00 12.34 H new ATOM 0 HH11 ARG A 690 -0.675 6.048 -1.142 1.00 24.41 H new ATOM 0 HH12 ARG A 690 0.612 7.254 -1.047 1.00 24.41 H new ATOM 0 HH21 ARG A 690 -0.134 8.181 2.279 1.00 22.30 H new ATOM 0 HH22 ARG A 690 0.915 8.457 0.885 1.00 22.30 H new ATOM 229 N LYS A 691 -1.108 1.245 3.808 1.00 34.14 N ATOM 230 CA LYS A 691 -0.165 0.631 4.743 1.00 35.50 C ATOM 231 C LYS A 691 0.860 -0.196 3.977 1.00 32.55 C ATOM 232 O LYS A 691 2.008 -0.331 4.394 1.00 24.31 O ATOM 233 CB LYS A 691 -0.861 -0.250 5.793 1.00 12.33 C ATOM 234 CG LYS A 691 -1.822 0.489 6.716 1.00 2.05 C ATOM 235 CD LYS A 691 -2.377 -0.430 7.815 1.00 20.13 C ATOM 236 CE LYS A 691 -1.268 -0.946 8.739 1.00 51.45 C ATOM 237 NZ LYS A 691 -1.789 -1.804 9.831 1.00 54.53 N ATOM 0 H LYS A 691 -2.021 0.793 3.762 1.00 34.14 H new ATOM 0 HA LYS A 691 0.330 1.442 5.277 1.00 35.50 H new ATOM 0 HB2 LYS A 691 -1.409 -1.039 5.278 1.00 12.33 H new ATOM 0 HB3 LYS A 691 -0.098 -0.736 6.401 1.00 12.33 H new ATOM 0 HG2 LYS A 691 -1.308 1.334 7.174 1.00 2.05 H new ATOM 0 HG3 LYS A 691 -2.647 0.896 6.131 1.00 2.05 H new ATOM 0 HD2 LYS A 691 -3.117 0.113 8.403 1.00 20.13 H new ATOM 0 HD3 LYS A 691 -2.891 -1.275 7.357 1.00 20.13 H new ATOM 0 HE2 LYS A 691 -0.544 -1.511 8.152 1.00 51.45 H new ATOM 0 HE3 LYS A 691 -0.736 -0.098 9.170 1.00 51.45 H new ATOM 0 HZ1 LYS A 691 -0.999 -2.126 10.426 1.00 54.53 H new ATOM 0 HZ2 LYS A 691 -2.460 -1.260 10.410 1.00 54.53 H new ATOM 0 HZ3 LYS A 691 -2.274 -2.629 9.423 1.00 54.53 H new ATOM 251 N ALA A 692 0.434 -0.726 2.844 1.00 0.31 N ATOM 252 CA ALA A 692 1.275 -1.543 1.990 1.00 42.40 C ATOM 253 C ALA A 692 2.334 -0.695 1.286 1.00 44.12 C ATOM 254 O ALA A 692 3.380 -1.199 0.895 1.00 40.41 O ATOM 255 CB ALA A 692 0.423 -2.296 0.973 1.00 24.05 C ATOM 0 H ALA A 692 -0.514 -0.600 2.489 1.00 0.31 H new ATOM 0 HA ALA A 692 1.793 -2.269 2.616 1.00 42.40 H new ATOM 0 HB1 ALA A 692 1.067 -2.905 0.339 1.00 24.05 H new ATOM 0 HB2 ALA A 692 -0.284 -2.939 1.496 1.00 24.05 H new ATOM 0 HB3 ALA A 692 -0.123 -1.582 0.356 1.00 24.05 H new ATOM 261 N VAL A 693 2.050 0.592 1.124 1.00 44.53 N ATOM 262 CA VAL A 693 2.985 1.521 0.489 1.00 1.44 C ATOM 263 C VAL A 693 4.365 1.544 1.223 1.00 71.21 C ATOM 264 O VAL A 693 5.382 1.170 0.619 1.00 50.41 O ATOM 265 CB VAL A 693 2.379 2.958 0.323 1.00 61.54 C ATOM 266 CG1 VAL A 693 3.359 3.906 -0.325 1.00 34.24 C ATOM 267 CG2 VAL A 693 1.113 2.908 -0.506 1.00 53.10 C ATOM 0 H VAL A 693 1.175 1.021 1.425 1.00 44.53 H new ATOM 0 HA VAL A 693 3.165 1.147 -0.519 1.00 1.44 H new ATOM 0 HB VAL A 693 2.150 3.327 1.323 1.00 61.54 H new ATOM 0 HG11 VAL A 693 2.902 4.891 -0.423 1.00 34.24 H new ATOM 0 HG12 VAL A 693 4.255 3.981 0.292 1.00 34.24 H new ATOM 0 HG13 VAL A 693 3.629 3.532 -1.313 1.00 34.24 H new ATOM 0 HG21 VAL A 693 0.707 3.914 -0.611 1.00 53.10 H new ATOM 0 HG22 VAL A 693 1.340 2.504 -1.493 1.00 53.10 H new ATOM 0 HG23 VAL A 693 0.380 2.270 -0.012 1.00 53.10 H new ATOM 277 N PRO A 694 4.431 1.941 2.531 1.00 61.44 N ATOM 278 CA PRO A 694 5.693 1.932 3.272 1.00 62.10 C ATOM 279 C PRO A 694 6.165 0.506 3.569 1.00 52.25 C ATOM 280 O PRO A 694 7.356 0.235 3.593 1.00 74.14 O ATOM 281 CB PRO A 694 5.357 2.660 4.574 1.00 42.14 C ATOM 282 CG PRO A 694 3.900 2.454 4.750 1.00 3.22 C ATOM 283 CD PRO A 694 3.324 2.446 3.369 1.00 21.33 C ATOM 0 HA PRO A 694 6.500 2.401 2.709 1.00 62.10 H new ATOM 0 HB2 PRO A 694 5.920 2.252 5.413 1.00 42.14 H new ATOM 0 HB3 PRO A 694 5.603 3.720 4.511 1.00 42.14 H new ATOM 0 HG2 PRO A 694 3.696 1.515 5.265 1.00 3.22 H new ATOM 0 HG3 PRO A 694 3.462 3.250 5.353 1.00 3.22 H new ATOM 0 HD2 PRO A 694 2.447 1.802 3.305 1.00 21.33 H new ATOM 0 HD3 PRO A 694 3.011 3.443 3.060 1.00 21.33 H new ATOM 291 N ASP A 695 5.215 -0.404 3.766 1.00 12.33 N ATOM 292 CA ASP A 695 5.518 -1.812 4.081 1.00 64.44 C ATOM 293 C ASP A 695 6.360 -2.446 2.990 1.00 44.11 C ATOM 294 O ASP A 695 7.289 -3.225 3.256 1.00 1.12 O ATOM 295 CB ASP A 695 4.223 -2.607 4.257 1.00 42.24 C ATOM 296 CG ASP A 695 4.460 -4.071 4.542 1.00 2.42 C ATOM 297 OD1 ASP A 695 4.690 -4.422 5.701 1.00 30.53 O ATOM 298 OD2 ASP A 695 4.402 -4.896 3.605 1.00 20.10 O ATOM 0 H ASP A 695 4.218 -0.196 3.714 1.00 12.33 H new ATOM 0 HA ASP A 695 6.084 -1.832 5.012 1.00 64.44 H new ATOM 0 HB2 ASP A 695 3.646 -2.173 5.073 1.00 42.24 H new ATOM 0 HB3 ASP A 695 3.620 -2.512 3.354 1.00 42.24 H new ATOM 303 N ALA A 696 6.039 -2.111 1.771 1.00 3.23 N ATOM 304 CA ALA A 696 6.749 -2.618 0.642 1.00 1.13 C ATOM 305 C ALA A 696 8.149 -2.032 0.573 1.00 15.24 C ATOM 306 O ALA A 696 9.132 -2.771 0.467 1.00 2.54 O ATOM 307 CB ALA A 696 5.985 -2.308 -0.622 1.00 4.22 C ATOM 0 H ALA A 696 5.275 -1.477 1.538 1.00 3.23 H new ATOM 0 HA ALA A 696 6.843 -3.699 0.747 1.00 1.13 H new ATOM 0 HB1 ALA A 696 6.531 -2.697 -1.482 1.00 4.22 H new ATOM 0 HB2 ALA A 696 5.001 -2.774 -0.576 1.00 4.22 H new ATOM 0 HB3 ALA A 696 5.871 -1.229 -0.723 1.00 4.22 H new ATOM 313 N VAL A 697 8.251 -0.712 0.685 1.00 3.41 N ATOM 314 CA VAL A 697 9.537 -0.045 0.545 1.00 23.10 C ATOM 315 C VAL A 697 10.519 -0.438 1.657 1.00 71.22 C ATOM 316 O VAL A 697 11.687 -0.731 1.385 1.00 32.24 O ATOM 317 CB VAL A 697 9.418 1.508 0.422 1.00 32.22 C ATOM 318 CG1 VAL A 697 8.844 2.145 1.664 1.00 14.05 C ATOM 319 CG2 VAL A 697 10.751 2.104 0.084 1.00 34.53 C ATOM 0 H VAL A 697 7.465 -0.089 0.871 1.00 3.41 H new ATOM 0 HA VAL A 697 9.945 -0.401 -0.401 1.00 23.10 H new ATOM 0 HB VAL A 697 8.718 1.716 -0.387 1.00 32.22 H new ATOM 0 HG11 VAL A 697 8.783 3.224 1.524 1.00 14.05 H new ATOM 0 HG12 VAL A 697 7.847 1.746 1.850 1.00 14.05 H new ATOM 0 HG13 VAL A 697 9.487 1.925 2.516 1.00 14.05 H new ATOM 0 HG21 VAL A 697 10.655 3.187 0.001 1.00 34.53 H new ATOM 0 HG22 VAL A 697 11.467 1.862 0.869 1.00 34.53 H new ATOM 0 HG23 VAL A 697 11.102 1.697 -0.864 1.00 34.53 H new ATOM 329 N GLU A 698 10.033 -0.489 2.893 1.00 25.33 N ATOM 330 CA GLU A 698 10.858 -0.864 4.038 1.00 53.14 C ATOM 331 C GLU A 698 11.427 -2.282 3.890 1.00 71.11 C ATOM 332 O GLU A 698 12.484 -2.598 4.434 1.00 4.23 O ATOM 333 CB GLU A 698 10.076 -0.736 5.346 1.00 35.12 C ATOM 334 CG GLU A 698 9.699 0.692 5.710 1.00 72.41 C ATOM 335 CD GLU A 698 10.908 1.566 5.955 1.00 1.10 C ATOM 336 OE1 GLU A 698 11.404 1.598 7.107 1.00 11.43 O ATOM 337 OE2 GLU A 698 11.375 2.245 5.022 1.00 42.32 O ATOM 0 H GLU A 698 9.064 -0.274 3.129 1.00 25.33 H new ATOM 0 HA GLU A 698 11.698 -0.170 4.068 1.00 53.14 H new ATOM 0 HB2 GLU A 698 9.167 -1.332 5.272 1.00 35.12 H new ATOM 0 HB3 GLU A 698 10.671 -1.160 6.155 1.00 35.12 H new ATOM 0 HG2 GLU A 698 9.101 1.122 4.907 1.00 72.41 H new ATOM 0 HG3 GLU A 698 9.074 0.683 6.603 1.00 72.41 H new ATOM 344 N SER A 699 10.719 -3.128 3.144 1.00 50.54 N ATOM 345 CA SER A 699 11.173 -4.480 2.891 1.00 43.33 C ATOM 346 C SER A 699 12.378 -4.466 1.942 1.00 4.51 C ATOM 347 O SER A 699 13.302 -5.277 2.086 1.00 73.31 O ATOM 348 CB SER A 699 10.028 -5.346 2.323 1.00 64.25 C ATOM 349 OG SER A 699 10.437 -6.698 2.116 1.00 24.30 O ATOM 0 H SER A 699 9.828 -2.894 2.707 1.00 50.54 H new ATOM 0 HA SER A 699 11.487 -4.924 3.836 1.00 43.33 H new ATOM 0 HB2 SER A 699 9.181 -5.324 3.009 1.00 64.25 H new ATOM 0 HB3 SER A 699 9.685 -4.922 1.379 1.00 64.25 H new ATOM 0 HG SER A 699 9.686 -7.216 1.758 1.00 24.30 H new ATOM 355 N ARG A 700 12.383 -3.536 0.979 1.00 61.40 N ATOM 356 CA ARG A 700 13.499 -3.438 0.045 1.00 14.13 C ATOM 357 C ARG A 700 14.725 -2.764 0.630 1.00 42.20 C ATOM 358 O ARG A 700 15.823 -2.895 0.082 1.00 71.34 O ATOM 359 CB ARG A 700 13.164 -2.891 -1.363 1.00 71.44 C ATOM 360 CG ARG A 700 12.457 -3.892 -2.295 1.00 23.30 C ATOM 361 CD ARG A 700 10.986 -4.113 -1.977 1.00 34.32 C ATOM 362 NE ARG A 700 10.159 -2.963 -2.378 1.00 1.50 N ATOM 363 CZ ARG A 700 8.864 -3.031 -2.734 1.00 12.23 C ATOM 364 NH1 ARG A 700 8.199 -4.194 -2.674 1.00 4.34 N ATOM 365 NH2 ARG A 700 8.234 -1.933 -3.137 1.00 43.04 N ATOM 0 H ARG A 700 11.639 -2.854 0.831 1.00 61.40 H new ATOM 0 HA ARG A 700 13.747 -4.486 -0.122 1.00 14.13 H new ATOM 0 HB2 ARG A 700 12.532 -2.010 -1.254 1.00 71.44 H new ATOM 0 HB3 ARG A 700 14.088 -2.564 -1.839 1.00 71.44 H new ATOM 0 HG2 ARG A 700 12.545 -3.539 -3.322 1.00 23.30 H new ATOM 0 HG3 ARG A 700 12.976 -4.849 -2.241 1.00 23.30 H new ATOM 0 HD2 ARG A 700 10.635 -5.009 -2.489 1.00 34.32 H new ATOM 0 HD3 ARG A 700 10.868 -4.290 -0.908 1.00 34.32 H new ATOM 0 HE ARG A 700 10.602 -2.044 -2.386 1.00 1.50 H new ATOM 0 HH11 ARG A 700 8.675 -5.038 -2.356 1.00 4.34 H new ATOM 0 HH12 ARG A 700 7.217 -4.235 -2.946 1.00 4.34 H new ATOM 0 HH21 ARG A 700 8.733 -1.044 -3.175 1.00 43.04 H new ATOM 0 HH22 ARG A 700 7.252 -1.979 -3.408 1.00 43.04 H new ATOM 379 N TYR A 701 14.553 -2.007 1.701 1.00 51.31 N ATOM 380 CA TYR A 701 15.705 -1.446 2.382 1.00 23.33 C ATOM 381 C TYR A 701 16.494 -2.509 3.100 1.00 35.32 C ATOM 382 O TYR A 701 16.150 -2.916 4.217 1.00 34.34 O ATOM 383 CB TYR A 701 15.360 -0.322 3.345 1.00 50.52 C ATOM 384 CG TYR A 701 14.964 0.968 2.697 1.00 64.30 C ATOM 385 CD1 TYR A 701 15.916 1.786 2.125 1.00 30.42 C ATOM 386 CD2 TYR A 701 13.662 1.385 2.688 1.00 3.34 C ATOM 387 CE1 TYR A 701 15.567 2.987 1.561 1.00 73.33 C ATOM 388 CE2 TYR A 701 13.300 2.560 2.136 1.00 3.31 C ATOM 389 CZ TYR A 701 14.254 3.374 1.567 1.00 62.01 C ATOM 390 OH TYR A 701 13.894 4.580 0.999 1.00 43.25 O ATOM 0 H TYR A 701 13.649 -1.771 2.109 1.00 51.31 H new ATOM 0 HA TYR A 701 16.317 -1.011 1.592 1.00 23.33 H new ATOM 0 HB2 TYR A 701 14.545 -0.653 3.989 1.00 50.52 H new ATOM 0 HB3 TYR A 701 16.220 -0.139 3.989 1.00 50.52 H new ATOM 0 HD1 TYR A 701 16.951 1.477 2.121 1.00 30.42 H new ATOM 0 HD2 TYR A 701 12.905 0.757 3.134 1.00 3.34 H new ATOM 0 HE1 TYR A 701 16.320 3.621 1.117 1.00 73.33 H new ATOM 0 HE2 TYR A 701 12.263 2.863 2.140 1.00 3.31 H new ATOM 0 HH TYR A 701 12.926 4.706 1.085 1.00 43.25 H new ATOM 400 N SER A 702 17.504 -2.998 2.442 1.00 13.43 N ATOM 401 CA SER A 702 18.388 -3.951 3.014 1.00 22.23 C ATOM 402 C SER A 702 19.378 -3.234 3.925 1.00 5.24 C ATOM 403 O SER A 702 20.336 -2.584 3.472 1.00 53.20 O ATOM 404 CB SER A 702 19.095 -4.721 1.918 1.00 42.11 C ATOM 405 OG SER A 702 18.143 -5.325 1.049 1.00 70.02 O ATOM 0 H SER A 702 17.733 -2.739 1.483 1.00 13.43 H new ATOM 0 HA SER A 702 17.828 -4.669 3.614 1.00 22.23 H new ATOM 0 HB2 SER A 702 19.741 -4.051 1.352 1.00 42.11 H new ATOM 0 HB3 SER A 702 19.735 -5.487 2.356 1.00 42.11 H new ATOM 0 HG SER A 702 18.611 -5.819 0.343 1.00 70.02 H new ATOM 411 N ARG A 703 19.109 -3.308 5.188 1.00 50.23 N ATOM 412 CA ARG A 703 19.901 -2.662 6.186 1.00 35.10 C ATOM 413 C ARG A 703 20.981 -3.602 6.687 1.00 14.32 C ATOM 414 O ARG A 703 21.126 -4.721 6.154 1.00 1.11 O ATOM 415 CB ARG A 703 18.980 -2.165 7.304 1.00 4.11 C ATOM 416 CG ARG A 703 17.989 -1.131 6.785 1.00 63.43 C ATOM 417 CD ARG A 703 16.995 -0.678 7.824 1.00 5.25 C ATOM 418 NE ARG A 703 16.091 0.336 7.261 1.00 70.34 N ATOM 419 CZ ARG A 703 14.769 0.398 7.466 1.00 42.53 C ATOM 420 NH1 ARG A 703 14.165 -0.508 8.222 1.00 64.25 N ATOM 421 NH2 ARG A 703 14.061 1.362 6.903 1.00 72.33 N ATOM 0 H ARG A 703 18.317 -3.829 5.563 1.00 50.23 H new ATOM 0 HA ARG A 703 20.415 -1.797 5.767 1.00 35.10 H new ATOM 0 HB2 ARG A 703 18.438 -3.008 7.734 1.00 4.11 H new ATOM 0 HB3 ARG A 703 19.578 -1.729 8.104 1.00 4.11 H new ATOM 0 HG2 ARG A 703 18.539 -0.265 6.417 1.00 63.43 H new ATOM 0 HG3 ARG A 703 17.450 -1.550 5.936 1.00 63.43 H new ATOM 0 HD2 ARG A 703 16.418 -1.531 8.181 1.00 5.25 H new ATOM 0 HD3 ARG A 703 17.522 -0.267 8.685 1.00 5.25 H new ATOM 0 HE ARG A 703 16.505 1.052 6.664 1.00 70.34 H new ATOM 0 HH11 ARG A 703 14.707 -1.258 8.651 1.00 64.25 H new ATOM 0 HH12 ARG A 703 13.158 -0.456 8.374 1.00 64.25 H new ATOM 0 HH21 ARG A 703 14.522 2.056 6.314 1.00 72.33 H new ATOM 0 HH22 ARG A 703 13.054 1.412 7.057 1.00 72.33 H new ATOM 435 N THR A 704 21.750 -3.150 7.672 1.00 14.03 N ATOM 436 CA THR A 704 22.842 -3.897 8.243 1.00 60.55 C ATOM 437 C THR A 704 22.378 -5.304 8.664 1.00 55.21 C ATOM 438 O THR A 704 21.214 -5.500 9.053 1.00 14.40 O ATOM 439 CB THR A 704 23.357 -3.139 9.464 1.00 71.11 C ATOM 440 OG1 THR A 704 23.488 -1.748 9.114 1.00 50.45 O ATOM 441 CG2 THR A 704 24.718 -3.650 9.874 1.00 64.11 C ATOM 0 H THR A 704 21.620 -2.232 8.098 1.00 14.03 H new ATOM 0 HA THR A 704 23.633 -4.008 7.501 1.00 60.55 H new ATOM 0 HB THR A 704 22.658 -3.279 10.288 1.00 71.11 H new ATOM 0 HG1 THR A 704 23.817 -1.245 9.888 1.00 50.45 H new ATOM 0 HG21 THR A 704 25.067 -3.097 10.746 1.00 64.11 H new ATOM 0 HG22 THR A 704 24.650 -4.710 10.120 1.00 64.11 H new ATOM 0 HG23 THR A 704 25.421 -3.513 9.052 1.00 64.11 H new ATOM 449 N GLU A 705 23.272 -6.255 8.571 1.00 52.22 N ATOM 450 CA GLU A 705 22.966 -7.637 8.862 1.00 31.10 C ATOM 451 C GLU A 705 22.823 -7.746 10.372 1.00 71.45 C ATOM 452 O GLU A 705 23.796 -7.555 11.114 1.00 40.02 O ATOM 453 CB GLU A 705 24.119 -8.530 8.341 1.00 22.11 C ATOM 454 CG GLU A 705 23.800 -10.024 8.130 1.00 63.22 C ATOM 455 CD GLU A 705 23.357 -10.771 9.360 1.00 21.24 C ATOM 456 OE1 GLU A 705 24.218 -11.132 10.196 1.00 42.14 O ATOM 457 OE2 GLU A 705 22.147 -11.025 9.502 1.00 41.23 O ATOM 0 H GLU A 705 24.239 -6.094 8.290 1.00 52.22 H new ATOM 0 HA GLU A 705 22.047 -7.965 8.377 1.00 31.10 H new ATOM 0 HB2 GLU A 705 24.465 -8.119 7.393 1.00 22.11 H new ATOM 0 HB3 GLU A 705 24.950 -8.456 9.043 1.00 22.11 H new ATOM 0 HG2 GLU A 705 23.019 -10.108 7.374 1.00 63.22 H new ATOM 0 HG3 GLU A 705 24.687 -10.514 7.728 1.00 63.22 H new ATOM 464 N GLY A 706 21.635 -7.985 10.824 1.00 71.32 N ATOM 465 CA GLY A 706 21.406 -8.062 12.226 1.00 12.44 C ATOM 466 C GLY A 706 20.539 -9.215 12.592 1.00 0.32 C ATOM 467 O GLY A 706 20.796 -10.343 12.186 1.00 61.11 O ATOM 0 H GLY A 706 20.810 -8.130 10.242 1.00 71.32 H new ATOM 0 HA2 GLY A 706 22.361 -8.149 12.744 1.00 12.44 H new ATOM 0 HA3 GLY A 706 20.941 -7.137 12.568 1.00 12.44 H new ATOM 471 N SER A 707 19.513 -8.949 13.340 1.00 23.33 N ATOM 472 CA SER A 707 18.632 -9.987 13.792 1.00 3.11 C ATOM 473 C SER A 707 17.167 -9.604 13.555 1.00 70.14 C ATOM 474 O SER A 707 16.251 -10.381 13.855 1.00 14.31 O ATOM 475 CB SER A 707 18.890 -10.255 15.281 1.00 51.04 C ATOM 476 OG SER A 707 20.269 -10.571 15.514 1.00 61.11 O ATOM 0 H SER A 707 19.261 -8.012 13.654 1.00 23.33 H new ATOM 0 HA SER A 707 18.829 -10.895 13.223 1.00 3.11 H new ATOM 0 HB2 SER A 707 18.610 -9.379 15.866 1.00 51.04 H new ATOM 0 HB3 SER A 707 18.262 -11.079 15.620 1.00 51.04 H new ATOM 0 HG SER A 707 20.410 -10.736 16.470 1.00 61.11 H new ATOM 482 N LEU A 708 16.944 -8.419 13.008 1.00 33.31 N ATOM 483 CA LEU A 708 15.602 -7.930 12.775 1.00 12.04 C ATOM 484 C LEU A 708 15.298 -8.003 11.287 1.00 32.41 C ATOM 485 O LEU A 708 16.044 -7.468 10.460 1.00 33.34 O ATOM 486 CB LEU A 708 15.473 -6.469 13.324 1.00 14.34 C ATOM 487 CG LEU A 708 14.060 -5.791 13.381 1.00 35.53 C ATOM 488 CD1 LEU A 708 14.162 -4.460 14.105 1.00 44.41 C ATOM 489 CD2 LEU A 708 13.463 -5.553 11.996 1.00 65.14 C ATOM 0 H LEU A 708 17.682 -7.778 12.717 1.00 33.31 H new ATOM 0 HA LEU A 708 14.874 -8.547 13.302 1.00 12.04 H new ATOM 0 HB2 LEU A 708 15.880 -6.462 14.335 1.00 14.34 H new ATOM 0 HB3 LEU A 708 16.117 -5.833 12.717 1.00 14.34 H new ATOM 0 HG LEU A 708 13.401 -6.476 13.914 1.00 35.53 H new ATOM 0 HD11 LEU A 708 13.179 -3.990 14.143 1.00 44.41 H new ATOM 0 HD12 LEU A 708 14.526 -4.624 15.119 1.00 44.41 H new ATOM 0 HD13 LEU A 708 14.855 -3.808 13.573 1.00 44.41 H new ATOM 0 HD21 LEU A 708 12.485 -5.082 12.097 1.00 65.14 H new ATOM 0 HD22 LEU A 708 14.122 -4.901 11.423 1.00 65.14 H new ATOM 0 HD23 LEU A 708 13.355 -6.506 11.478 1.00 65.14 H new ATOM 501 N ASP A 709 14.231 -8.672 10.954 1.00 44.21 N ATOM 502 CA ASP A 709 13.770 -8.776 9.585 1.00 73.44 C ATOM 503 C ASP A 709 12.278 -8.759 9.579 1.00 32.21 C ATOM 504 O ASP A 709 11.645 -9.486 10.343 1.00 44.02 O ATOM 505 CB ASP A 709 14.270 -10.056 8.908 1.00 44.44 C ATOM 506 CG ASP A 709 13.732 -10.212 7.489 1.00 54.33 C ATOM 507 OD1 ASP A 709 14.316 -9.632 6.543 1.00 0.42 O ATOM 508 OD2 ASP A 709 12.734 -10.932 7.289 1.00 13.50 O ATOM 0 H ASP A 709 13.646 -9.168 11.626 1.00 44.21 H new ATOM 0 HA ASP A 709 14.169 -7.931 9.024 1.00 73.44 H new ATOM 0 HB2 ASP A 709 15.360 -10.048 8.882 1.00 44.44 H new ATOM 0 HB3 ASP A 709 13.972 -10.919 9.504 1.00 44.44 H new ATOM 513 N GLY A 710 11.708 -7.934 8.758 1.00 53.51 N ATOM 514 CA GLY A 710 10.294 -7.877 8.683 1.00 65.02 C ATOM 515 C GLY A 710 9.796 -6.493 8.442 1.00 30.32 C ATOM 516 O GLY A 710 10.585 -5.559 8.238 1.00 5.21 O ATOM 0 H GLY A 710 12.203 -7.296 8.135 1.00 53.51 H new ATOM 0 HA2 GLY A 710 9.948 -8.530 7.882 1.00 65.02 H new ATOM 0 HA3 GLY A 710 9.867 -8.258 9.611 1.00 65.02 H new ATOM 520 N THR A 711 8.510 -6.370 8.455 1.00 64.04 N ATOM 521 CA THR A 711 7.814 -5.151 8.237 1.00 51.45 C ATOM 522 C THR A 711 6.362 -5.334 8.673 1.00 0.03 C ATOM 523 O THR A 711 5.911 -4.602 9.572 1.00 36.12 O ATOM 524 CB THR A 711 7.959 -4.610 6.762 1.00 5.13 C ATOM 525 OG1 THR A 711 7.086 -3.494 6.520 1.00 2.20 O ATOM 526 CG2 THR A 711 7.745 -5.694 5.717 1.00 74.42 C ATOM 527 OXT THR A 711 5.710 -6.306 8.208 1.00 36.12 O ATOM 0 H THR A 711 7.887 -7.159 8.627 1.00 64.04 H new ATOM 0 HA THR A 711 8.268 -4.370 8.847 1.00 51.45 H new ATOM 0 HB THR A 711 8.989 -4.267 6.665 1.00 5.13 H new ATOM 0 HG1 THR A 711 6.161 -3.810 6.456 1.00 2.20 H new ATOM 0 HG21 THR A 711 7.856 -5.266 4.721 1.00 74.42 H new ATOM 0 HG22 THR A 711 8.482 -6.485 5.857 1.00 74.42 H new ATOM 0 HG23 THR A 711 6.743 -6.109 5.823 1.00 74.42 H new TER 535 THR A 711