USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=13 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 Set 1.1: A 687 SER OG : rot 64:sc= 0.54 USER MOD Set 1.2: A 691 LYS NZ :NH3+ -179:sc= 0.589 (180deg=0) USER MOD Single : A 679 LYS NZ :NH3+ 165:sc= -0.0433 (180deg=-0.234) USER MOD Single : A 680 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.15) USER MOD Single : A 682 THR OG1 : rot 180:sc= 0 USER MOD Single : A 684 THR OG1 : rot 129:sc= 1.25 USER MOD Single : A 686 TYR OH : rot 180:sc= 0 USER MOD Single : A 699 SER OG : rot 91:sc= 1.27 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 -134:sc= 1.65 USER MOD Single : A 707 SER OG : rot 180:sc= 0.273 USER MOD Single : A 711 THR OG1 : rot -8:sc= 0.998 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 677 -11.533 -3.797 10.213 1.00 74.24 N ATOM 2 CA LEU A 677 -12.618 -2.928 10.706 1.00 30.43 C ATOM 3 C LEU A 677 -13.959 -3.637 10.618 1.00 14.00 C ATOM 4 O LEU A 677 -14.882 -3.336 11.372 1.00 71.41 O ATOM 5 CB LEU A 677 -12.723 -1.571 9.934 1.00 22.44 C ATOM 6 CG LEU A 677 -11.536 -0.579 9.981 1.00 40.12 C ATOM 7 CD1 LEU A 677 -10.321 -1.088 9.219 1.00 12.21 C ATOM 8 CD2 LEU A 677 -11.962 0.780 9.454 1.00 41.21 C ATOM 0 HA LEU A 677 -12.367 -2.707 11.743 1.00 30.43 H new ATOM 0 HB2 LEU A 677 -12.914 -1.804 8.886 1.00 22.44 H new ATOM 0 HB3 LEU A 677 -13.602 -1.048 10.309 1.00 22.44 H new ATOM 0 HG LEU A 677 -11.240 -0.483 11.026 1.00 40.12 H new ATOM 0 HD11 LEU A 677 -9.517 -0.354 9.284 1.00 12.21 H new ATOM 0 HD12 LEU A 677 -9.988 -2.031 9.653 1.00 12.21 H new ATOM 0 HD13 LEU A 677 -10.586 -1.244 8.173 1.00 12.21 H new ATOM 0 HD21 LEU A 677 -11.117 1.467 9.493 1.00 41.21 H new ATOM 0 HD22 LEU A 677 -12.301 0.680 8.423 1.00 41.21 H new ATOM 0 HD23 LEU A 677 -12.775 1.170 10.067 1.00 41.21 H new ATOM 20 N GLY A 678 -14.088 -4.558 9.682 1.00 53.05 N ATOM 21 CA GLY A 678 -15.337 -5.270 9.532 1.00 12.20 C ATOM 22 C GLY A 678 -16.048 -4.843 8.281 1.00 45.35 C ATOM 23 O GLY A 678 -16.781 -5.615 7.672 1.00 2.12 O ATOM 0 H GLY A 678 -13.355 -4.826 9.025 1.00 53.05 H new ATOM 0 HA2 GLY A 678 -15.147 -6.343 9.500 1.00 12.20 H new ATOM 0 HA3 GLY A 678 -15.973 -5.085 10.398 1.00 12.20 H new ATOM 27 N LYS A 679 -15.851 -3.599 7.908 1.00 35.21 N ATOM 28 CA LYS A 679 -16.390 -3.089 6.674 1.00 44.34 C ATOM 29 C LYS A 679 -15.353 -3.211 5.599 1.00 34.31 C ATOM 30 O LYS A 679 -14.310 -2.543 5.640 1.00 24.22 O ATOM 31 CB LYS A 679 -16.890 -1.623 6.771 1.00 41.24 C ATOM 32 CG LYS A 679 -18.183 -1.392 7.571 1.00 24.23 C ATOM 33 CD LYS A 679 -18.038 -1.695 9.050 1.00 65.31 C ATOM 34 CE LYS A 679 -19.353 -1.472 9.792 1.00 14.11 C ATOM 35 NZ LYS A 679 -20.431 -2.361 9.300 1.00 74.12 N ATOM 0 H LYS A 679 -15.316 -2.919 8.449 1.00 35.21 H new ATOM 0 HA LYS A 679 -17.268 -3.689 6.435 1.00 44.34 H new ATOM 0 HB2 LYS A 679 -16.099 -1.021 7.219 1.00 41.24 H new ATOM 0 HB3 LYS A 679 -17.042 -1.247 5.759 1.00 41.24 H new ATOM 0 HG2 LYS A 679 -18.497 -0.355 7.449 1.00 24.23 H new ATOM 0 HG3 LYS A 679 -18.975 -2.016 7.156 1.00 24.23 H new ATOM 0 HD2 LYS A 679 -17.714 -2.727 9.182 1.00 65.31 H new ATOM 0 HD3 LYS A 679 -17.263 -1.060 9.479 1.00 65.31 H new ATOM 0 HE2 LYS A 679 -19.201 -1.644 10.858 1.00 14.11 H new ATOM 0 HE3 LYS A 679 -19.661 -0.433 9.678 1.00 14.11 H new ATOM 0 HZ1 LYS A 679 -21.217 -2.363 9.981 1.00 74.12 H new ATOM 0 HZ2 LYS A 679 -20.772 -2.017 8.379 1.00 74.12 H new ATOM 0 HZ3 LYS A 679 -20.062 -3.328 9.194 1.00 74.12 H new ATOM 49 N LYS A 680 -15.598 -4.083 4.682 1.00 43.25 N ATOM 50 CA LYS A 680 -14.713 -4.274 3.586 1.00 51.11 C ATOM 51 C LYS A 680 -15.205 -3.377 2.460 1.00 41.22 C ATOM 52 O LYS A 680 -16.208 -3.691 1.806 1.00 13.44 O ATOM 53 CB LYS A 680 -14.739 -5.746 3.142 1.00 1.50 C ATOM 54 CG LYS A 680 -13.626 -6.143 2.186 1.00 43.03 C ATOM 55 CD LYS A 680 -12.275 -6.098 2.885 1.00 22.20 C ATOM 56 CE LYS A 680 -11.146 -6.465 1.945 1.00 34.53 C ATOM 57 NZ LYS A 680 -9.828 -6.458 2.625 1.00 3.33 N ATOM 0 H LYS A 680 -16.421 -4.686 4.672 1.00 43.25 H new ATOM 0 HA LYS A 680 -13.688 -4.026 3.861 1.00 51.11 H new ATOM 0 HB2 LYS A 680 -14.681 -6.379 4.027 1.00 1.50 H new ATOM 0 HB3 LYS A 680 -15.698 -5.950 2.666 1.00 1.50 H new ATOM 0 HG2 LYS A 680 -13.810 -7.147 1.803 1.00 43.03 H new ATOM 0 HG3 LYS A 680 -13.620 -5.471 1.328 1.00 43.03 H new ATOM 0 HD2 LYS A 680 -12.105 -5.098 3.285 1.00 22.20 H new ATOM 0 HD3 LYS A 680 -12.281 -6.784 3.732 1.00 22.20 H new ATOM 0 HE2 LYS A 680 -11.331 -7.454 1.525 1.00 34.53 H new ATOM 0 HE3 LYS A 680 -11.127 -5.763 1.111 1.00 34.53 H new ATOM 0 HZ1 LYS A 680 -9.108 -6.860 1.991 1.00 3.33 H new ATOM 0 HZ2 LYS A 680 -9.568 -5.481 2.869 1.00 3.33 H new ATOM 0 HZ3 LYS A 680 -9.882 -7.029 3.493 1.00 3.33 H new ATOM 71 N ASP A 681 -14.575 -2.246 2.279 1.00 54.52 N ATOM 72 CA ASP A 681 -15.004 -1.320 1.243 1.00 53.33 C ATOM 73 C ASP A 681 -13.809 -0.809 0.486 1.00 74.12 C ATOM 74 O ASP A 681 -12.682 -0.922 0.968 1.00 73.31 O ATOM 75 CB ASP A 681 -15.821 -0.143 1.808 1.00 74.13 C ATOM 76 CG ASP A 681 -15.007 0.860 2.585 1.00 45.05 C ATOM 77 OD1 ASP A 681 -14.824 0.696 3.795 1.00 3.41 O ATOM 78 OD2 ASP A 681 -14.551 1.854 1.982 1.00 65.34 O ATOM 0 H ASP A 681 -13.770 -1.938 2.825 1.00 54.52 H new ATOM 0 HA ASP A 681 -15.660 -1.868 0.567 1.00 53.33 H new ATOM 0 HB2 ASP A 681 -16.316 0.369 0.983 1.00 74.13 H new ATOM 0 HB3 ASP A 681 -16.605 -0.537 2.455 1.00 74.13 H new ATOM 83 N THR A 682 -14.055 -0.224 -0.670 1.00 42.02 N ATOM 84 CA THR A 682 -13.013 0.231 -1.575 1.00 61.40 C ATOM 85 C THR A 682 -12.020 1.215 -0.914 1.00 34.03 C ATOM 86 O THR A 682 -10.801 1.107 -1.113 1.00 71.13 O ATOM 87 CB THR A 682 -13.649 0.854 -2.828 1.00 4.24 C ATOM 88 OG1 THR A 682 -14.579 -0.094 -3.385 1.00 33.50 O ATOM 89 CG2 THR A 682 -12.588 1.168 -3.866 1.00 34.32 C ATOM 0 H THR A 682 -14.999 -0.048 -1.014 1.00 42.02 H new ATOM 0 HA THR A 682 -12.427 -0.643 -1.857 1.00 61.40 H new ATOM 0 HB THR A 682 -14.154 1.780 -2.552 1.00 4.24 H new ATOM 0 HG1 THR A 682 -14.996 0.288 -4.185 1.00 33.50 H new ATOM 0 HG21 THR A 682 -13.058 1.608 -4.745 1.00 34.32 H new ATOM 0 HG22 THR A 682 -11.868 1.872 -3.449 1.00 34.32 H new ATOM 0 HG23 THR A 682 -12.074 0.250 -4.151 1.00 34.32 H new ATOM 97 N GLU A 683 -12.524 2.128 -0.106 1.00 72.24 N ATOM 98 CA GLU A 683 -11.663 3.092 0.568 1.00 33.41 C ATOM 99 C GLU A 683 -10.798 2.400 1.586 1.00 30.22 C ATOM 100 O GLU A 683 -9.613 2.691 1.702 1.00 61.41 O ATOM 101 CB GLU A 683 -12.451 4.210 1.231 1.00 70.32 C ATOM 102 CG GLU A 683 -13.201 5.100 0.274 1.00 62.41 C ATOM 103 CD GLU A 683 -13.899 6.215 0.994 1.00 64.23 C ATOM 104 OE1 GLU A 683 -13.228 7.202 1.357 1.00 74.02 O ATOM 105 OE2 GLU A 683 -15.118 6.125 1.212 1.00 52.41 O ATOM 0 H GLU A 683 -13.518 2.226 0.101 1.00 72.24 H new ATOM 0 HA GLU A 683 -11.034 3.546 -0.198 1.00 33.41 H new ATOM 0 HB2 GLU A 683 -13.162 3.771 1.931 1.00 70.32 H new ATOM 0 HB3 GLU A 683 -11.765 4.823 1.816 1.00 70.32 H new ATOM 0 HG2 GLU A 683 -12.508 5.515 -0.458 1.00 62.41 H new ATOM 0 HG3 GLU A 683 -13.931 4.509 -0.278 1.00 62.41 H new ATOM 112 N THR A 684 -11.381 1.464 2.302 1.00 13.13 N ATOM 113 CA THR A 684 -10.644 0.698 3.276 1.00 53.30 C ATOM 114 C THR A 684 -9.612 -0.202 2.574 1.00 73.42 C ATOM 115 O THR A 684 -8.558 -0.488 3.122 1.00 44.24 O ATOM 116 CB THR A 684 -11.590 -0.114 4.195 1.00 30.20 C ATOM 117 OG1 THR A 684 -12.482 0.801 4.851 1.00 45.32 O ATOM 118 CG2 THR A 684 -10.813 -0.876 5.259 1.00 22.44 C ATOM 0 H THR A 684 -12.367 1.216 2.226 1.00 13.13 H new ATOM 0 HA THR A 684 -10.103 1.390 3.921 1.00 53.30 H new ATOM 0 HB THR A 684 -12.135 -0.833 3.583 1.00 30.20 H new ATOM 0 HG1 THR A 684 -13.407 0.502 4.727 1.00 45.32 H new ATOM 0 HG21 THR A 684 -11.507 -1.435 5.886 1.00 22.44 H new ATOM 0 HG22 THR A 684 -10.121 -1.568 4.779 1.00 22.44 H new ATOM 0 HG23 THR A 684 -10.254 -0.172 5.875 1.00 22.44 H new ATOM 126 N VAL A 685 -9.916 -0.612 1.340 1.00 13.15 N ATOM 127 CA VAL A 685 -8.983 -1.394 0.533 1.00 22.32 C ATOM 128 C VAL A 685 -7.746 -0.583 0.252 1.00 43.12 C ATOM 129 O VAL A 685 -6.642 -1.025 0.523 1.00 0.25 O ATOM 130 CB VAL A 685 -9.605 -1.862 -0.805 1.00 3.03 C ATOM 131 CG1 VAL A 685 -8.562 -2.552 -1.678 1.00 53.01 C ATOM 132 CG2 VAL A 685 -10.741 -2.809 -0.538 1.00 24.24 C ATOM 0 H VAL A 685 -10.804 -0.413 0.879 1.00 13.15 H new ATOM 0 HA VAL A 685 -8.730 -2.285 1.108 1.00 22.32 H new ATOM 0 HB VAL A 685 -9.976 -0.984 -1.334 1.00 3.03 H new ATOM 0 HG11 VAL A 685 -9.023 -2.872 -2.612 1.00 53.01 H new ATOM 0 HG12 VAL A 685 -7.750 -1.857 -1.893 1.00 53.01 H new ATOM 0 HG13 VAL A 685 -8.166 -3.421 -1.153 1.00 53.01 H new ATOM 0 HG21 VAL A 685 -11.174 -3.134 -1.484 1.00 24.24 H new ATOM 0 HG22 VAL A 685 -10.371 -3.676 0.009 1.00 24.24 H new ATOM 0 HG23 VAL A 685 -11.504 -2.304 0.055 1.00 24.24 H new ATOM 142 N TYR A 686 -7.928 0.619 -0.263 1.00 3.32 N ATOM 143 CA TYR A 686 -6.790 1.466 -0.499 1.00 74.42 C ATOM 144 C TYR A 686 -6.110 1.830 0.790 1.00 14.35 C ATOM 145 O TYR A 686 -4.911 1.981 0.825 1.00 50.41 O ATOM 146 CB TYR A 686 -7.130 2.690 -1.325 1.00 44.33 C ATOM 147 CG TYR A 686 -7.522 2.349 -2.730 1.00 75.44 C ATOM 148 CD1 TYR A 686 -6.580 1.856 -3.622 1.00 22.41 C ATOM 149 CD2 TYR A 686 -8.817 2.521 -3.174 1.00 14.05 C ATOM 150 CE1 TYR A 686 -6.922 1.543 -4.913 1.00 53.31 C ATOM 151 CE2 TYR A 686 -9.169 2.208 -4.469 1.00 62.24 C ATOM 152 CZ TYR A 686 -8.215 1.719 -5.331 1.00 40.11 C ATOM 153 OH TYR A 686 -8.557 1.407 -6.619 1.00 2.43 O ATOM 0 H TYR A 686 -8.832 1.017 -0.518 1.00 3.32 H new ATOM 0 HA TYR A 686 -6.085 0.888 -1.097 1.00 74.42 H new ATOM 0 HB2 TYR A 686 -7.946 3.231 -0.846 1.00 44.33 H new ATOM 0 HB3 TYR A 686 -6.271 3.360 -1.344 1.00 44.33 H new ATOM 0 HD1 TYR A 686 -5.560 1.716 -3.294 1.00 22.41 H new ATOM 0 HD2 TYR A 686 -9.565 2.906 -2.497 1.00 14.05 H new ATOM 0 HE1 TYR A 686 -6.177 1.160 -5.595 1.00 53.31 H new ATOM 0 HE2 TYR A 686 -10.186 2.346 -4.805 1.00 62.24 H new ATOM 0 HH TYR A 686 -9.510 1.587 -6.757 1.00 2.43 H new ATOM 163 N SER A 687 -6.877 1.911 1.858 1.00 1.31 N ATOM 164 CA SER A 687 -6.326 2.191 3.164 1.00 21.13 C ATOM 165 C SER A 687 -5.404 1.052 3.604 1.00 10.33 C ATOM 166 O SER A 687 -4.295 1.301 4.054 1.00 60.34 O ATOM 167 CB SER A 687 -7.432 2.432 4.197 1.00 62.55 C ATOM 168 OG SER A 687 -6.894 2.720 5.482 1.00 23.41 O ATOM 0 H SER A 687 -7.889 1.786 1.844 1.00 1.31 H new ATOM 0 HA SER A 687 -5.739 3.107 3.096 1.00 21.13 H new ATOM 0 HB2 SER A 687 -8.061 3.260 3.871 1.00 62.55 H new ATOM 0 HB3 SER A 687 -8.071 1.551 4.259 1.00 62.55 H new ATOM 0 HG SER A 687 -6.389 3.559 5.445 1.00 23.41 H new ATOM 174 N GLU A 688 -5.840 -0.196 3.443 1.00 11.44 N ATOM 175 CA GLU A 688 -4.997 -1.320 3.801 1.00 22.13 C ATOM 176 C GLU A 688 -3.795 -1.442 2.856 1.00 41.14 C ATOM 177 O GLU A 688 -2.729 -1.933 3.240 1.00 1.15 O ATOM 178 CB GLU A 688 -5.786 -2.629 3.986 1.00 23.21 C ATOM 179 CG GLU A 688 -6.588 -3.081 2.796 1.00 75.12 C ATOM 180 CD GLU A 688 -7.374 -4.333 3.076 1.00 72.34 C ATOM 181 OE1 GLU A 688 -6.814 -5.443 2.934 1.00 75.04 O ATOM 182 OE2 GLU A 688 -8.576 -4.232 3.435 1.00 11.11 O ATOM 0 H GLU A 688 -6.757 -0.446 3.073 1.00 11.44 H new ATOM 0 HA GLU A 688 -4.584 -1.114 4.789 1.00 22.13 H new ATOM 0 HB2 GLU A 688 -5.084 -3.420 4.250 1.00 23.21 H new ATOM 0 HB3 GLU A 688 -6.462 -2.507 4.832 1.00 23.21 H new ATOM 0 HG2 GLU A 688 -7.271 -2.285 2.498 1.00 75.12 H new ATOM 0 HG3 GLU A 688 -5.917 -3.257 1.955 1.00 75.12 H new ATOM 189 N VAL A 689 -3.958 -0.958 1.629 1.00 5.24 N ATOM 190 CA VAL A 689 -2.842 -0.859 0.692 1.00 23.41 C ATOM 191 C VAL A 689 -1.869 0.224 1.174 1.00 52.32 C ATOM 192 O VAL A 689 -0.661 0.088 1.042 1.00 33.33 O ATOM 193 CB VAL A 689 -3.309 -0.563 -0.766 1.00 44.32 C ATOM 194 CG1 VAL A 689 -2.117 -0.370 -1.703 1.00 62.31 C ATOM 195 CG2 VAL A 689 -4.157 -1.703 -1.271 1.00 20.14 C ATOM 0 H VAL A 689 -4.850 -0.628 1.260 1.00 5.24 H new ATOM 0 HA VAL A 689 -2.341 -1.827 0.668 1.00 23.41 H new ATOM 0 HB VAL A 689 -3.890 0.359 -0.751 1.00 44.32 H new ATOM 0 HG11 VAL A 689 -2.476 -0.165 -2.712 1.00 62.31 H new ATOM 0 HG12 VAL A 689 -1.513 0.468 -1.356 1.00 62.31 H new ATOM 0 HG13 VAL A 689 -1.510 -1.275 -1.711 1.00 62.31 H new ATOM 0 HG21 VAL A 689 -4.481 -1.492 -2.290 1.00 20.14 H new ATOM 0 HG22 VAL A 689 -3.573 -2.624 -1.259 1.00 20.14 H new ATOM 0 HG23 VAL A 689 -5.030 -1.819 -0.629 1.00 20.14 H new ATOM 205 N ARG A 690 -2.408 1.277 1.771 1.00 53.42 N ATOM 206 CA ARG A 690 -1.607 2.340 2.325 1.00 73.42 C ATOM 207 C ARG A 690 -0.751 1.843 3.471 1.00 52.30 C ATOM 208 O ARG A 690 0.265 2.412 3.754 1.00 72.04 O ATOM 209 CB ARG A 690 -2.462 3.522 2.753 1.00 45.34 C ATOM 210 CG ARG A 690 -3.174 4.232 1.619 1.00 15.01 C ATOM 211 CD ARG A 690 -2.199 4.784 0.600 1.00 12.52 C ATOM 212 NE ARG A 690 -2.891 5.458 -0.491 1.00 2.35 N ATOM 213 CZ ARG A 690 -2.308 6.131 -1.477 1.00 45.12 C ATOM 214 NH1 ARG A 690 -0.989 6.299 -1.488 1.00 65.21 N ATOM 215 NH2 ARG A 690 -3.054 6.664 -2.435 1.00 13.34 N ATOM 0 H ARG A 690 -3.413 1.411 1.881 1.00 53.42 H new ATOM 0 HA ARG A 690 -0.940 2.688 1.536 1.00 73.42 H new ATOM 0 HB2 ARG A 690 -3.206 3.174 3.470 1.00 45.34 H new ATOM 0 HB3 ARG A 690 -1.829 4.241 3.274 1.00 45.34 H new ATOM 0 HG2 ARG A 690 -3.858 3.539 1.129 1.00 15.01 H new ATOM 0 HG3 ARG A 690 -3.778 5.045 2.022 1.00 15.01 H new ATOM 0 HD2 ARG A 690 -1.519 5.482 1.087 1.00 12.52 H new ATOM 0 HD3 ARG A 690 -1.591 3.973 0.200 1.00 12.52 H new ATOM 0 HE ARG A 690 -3.910 5.409 -0.498 1.00 2.35 H new ATOM 0 HH11 ARG A 690 -0.419 5.910 -0.737 1.00 65.21 H new ATOM 0 HH12 ARG A 690 -0.547 6.817 -2.248 1.00 65.21 H new ATOM 0 HH21 ARG A 690 -4.068 6.556 -2.411 1.00 13.34 H new ATOM 0 HH22 ARG A 690 -2.614 7.182 -3.195 1.00 13.34 H new ATOM 229 N LYS A 691 -1.195 0.809 4.156 1.00 53.14 N ATOM 230 CA LYS A 691 -0.353 0.165 5.169 1.00 62.25 C ATOM 231 C LYS A 691 0.700 -0.726 4.502 1.00 12.05 C ATOM 232 O LYS A 691 1.831 -0.841 4.973 1.00 53.22 O ATOM 233 CB LYS A 691 -1.174 -0.628 6.220 1.00 44.12 C ATOM 234 CG LYS A 691 -1.912 0.221 7.283 1.00 35.13 C ATOM 235 CD LYS A 691 -2.915 1.190 6.688 1.00 34.41 C ATOM 236 CE LYS A 691 -3.626 1.996 7.759 1.00 71.21 C ATOM 237 NZ LYS A 691 -4.581 2.976 7.181 1.00 61.23 N ATOM 0 H LYS A 691 -2.119 0.394 4.040 1.00 53.14 H new ATOM 0 HA LYS A 691 0.154 0.960 5.715 1.00 62.25 H new ATOM 0 HB2 LYS A 691 -1.910 -1.236 5.694 1.00 44.12 H new ATOM 0 HB3 LYS A 691 -0.502 -1.315 6.734 1.00 44.12 H new ATOM 0 HG2 LYS A 691 -2.427 -0.445 7.975 1.00 35.13 H new ATOM 0 HG3 LYS A 691 -1.179 0.780 7.864 1.00 35.13 H new ATOM 0 HD2 LYS A 691 -2.404 1.867 6.003 1.00 34.41 H new ATOM 0 HD3 LYS A 691 -3.649 0.638 6.101 1.00 34.41 H new ATOM 0 HE2 LYS A 691 -4.161 1.320 8.426 1.00 71.21 H new ATOM 0 HE3 LYS A 691 -2.889 2.523 8.364 1.00 71.21 H new ATOM 0 HZ1 LYS A 691 -5.031 3.516 7.948 1.00 61.23 H new ATOM 0 HZ2 LYS A 691 -4.071 3.628 6.552 1.00 61.23 H new ATOM 0 HZ3 LYS A 691 -5.311 2.471 6.638 1.00 61.23 H new ATOM 251 N ALA A 692 0.317 -1.325 3.384 1.00 22.32 N ATOM 252 CA ALA A 692 1.184 -2.226 2.632 1.00 22.44 C ATOM 253 C ALA A 692 2.347 -1.478 1.961 1.00 2.25 C ATOM 254 O ALA A 692 3.473 -1.977 1.934 1.00 61.23 O ATOM 255 CB ALA A 692 0.369 -2.998 1.594 1.00 40.43 C ATOM 0 H ALA A 692 -0.607 -1.201 2.970 1.00 22.32 H new ATOM 0 HA ALA A 692 1.620 -2.932 3.339 1.00 22.44 H new ATOM 0 HB1 ALA A 692 1.027 -3.667 1.039 1.00 40.43 H new ATOM 0 HB2 ALA A 692 -0.402 -3.582 2.097 1.00 40.43 H new ATOM 0 HB3 ALA A 692 -0.100 -2.296 0.904 1.00 40.43 H new ATOM 261 N VAL A 693 2.063 -0.286 1.442 1.00 11.04 N ATOM 262 CA VAL A 693 3.054 0.554 0.739 1.00 32.21 C ATOM 263 C VAL A 693 4.363 0.841 1.560 1.00 23.23 C ATOM 264 O VAL A 693 5.457 0.463 1.101 1.00 14.13 O ATOM 265 CB VAL A 693 2.408 1.868 0.158 1.00 20.12 C ATOM 266 CG1 VAL A 693 3.455 2.809 -0.409 1.00 32.33 C ATOM 267 CG2 VAL A 693 1.407 1.514 -0.935 1.00 21.13 C ATOM 0 H VAL A 693 1.135 0.135 1.493 1.00 11.04 H new ATOM 0 HA VAL A 693 3.387 -0.048 -0.107 1.00 32.21 H new ATOM 0 HB VAL A 693 1.904 2.376 0.980 1.00 20.12 H new ATOM 0 HG11 VAL A 693 2.968 3.703 -0.799 1.00 32.33 H new ATOM 0 HG12 VAL A 693 4.155 3.091 0.378 1.00 32.33 H new ATOM 0 HG13 VAL A 693 3.996 2.310 -1.213 1.00 32.33 H new ATOM 0 HG21 VAL A 693 0.964 2.427 -1.332 1.00 21.13 H new ATOM 0 HG22 VAL A 693 1.917 0.980 -1.736 1.00 21.13 H new ATOM 0 HG23 VAL A 693 0.623 0.882 -0.519 1.00 21.13 H new ATOM 277 N PRO A 694 4.289 1.504 2.769 1.00 32.04 N ATOM 278 CA PRO A 694 5.477 1.771 3.604 1.00 21.01 C ATOM 279 C PRO A 694 6.169 0.481 4.015 1.00 33.51 C ATOM 280 O PRO A 694 7.398 0.393 4.045 1.00 62.35 O ATOM 281 CB PRO A 694 4.904 2.457 4.846 1.00 53.44 C ATOM 282 CG PRO A 694 3.618 3.022 4.397 1.00 61.31 C ATOM 283 CD PRO A 694 3.086 2.056 3.387 1.00 25.24 C ATOM 0 HA PRO A 694 6.220 2.367 3.074 1.00 21.01 H new ATOM 0 HB2 PRO A 694 4.763 1.748 5.661 1.00 53.44 H new ATOM 0 HB3 PRO A 694 5.573 3.235 5.213 1.00 53.44 H new ATOM 0 HG2 PRO A 694 2.927 3.136 5.232 1.00 61.31 H new ATOM 0 HG3 PRO A 694 3.756 4.011 3.959 1.00 61.31 H new ATOM 0 HD2 PRO A 694 2.483 1.278 3.856 1.00 25.24 H new ATOM 0 HD3 PRO A 694 2.451 2.553 2.654 1.00 25.24 H new ATOM 291 N ASP A 695 5.372 -0.519 4.305 1.00 1.22 N ATOM 292 CA ASP A 695 5.870 -1.829 4.696 1.00 61.43 C ATOM 293 C ASP A 695 6.722 -2.432 3.589 1.00 24.10 C ATOM 294 O ASP A 695 7.833 -2.940 3.839 1.00 5.40 O ATOM 295 CB ASP A 695 4.699 -2.751 5.012 1.00 25.20 C ATOM 296 CG ASP A 695 5.124 -4.156 5.348 1.00 3.31 C ATOM 297 OD1 ASP A 695 5.276 -4.976 4.427 1.00 63.24 O ATOM 298 OD2 ASP A 695 5.288 -4.467 6.538 1.00 21.24 O ATOM 0 H ASP A 695 4.354 -0.453 4.278 1.00 1.22 H new ATOM 0 HA ASP A 695 6.491 -1.715 5.585 1.00 61.43 H new ATOM 0 HB2 ASP A 695 4.136 -2.339 5.849 1.00 25.20 H new ATOM 0 HB3 ASP A 695 4.024 -2.777 4.156 1.00 25.20 H new ATOM 303 N ALA A 696 6.214 -2.351 2.373 1.00 14.05 N ATOM 304 CA ALA A 696 6.888 -2.891 1.216 1.00 73.24 C ATOM 305 C ALA A 696 8.135 -2.098 0.891 1.00 62.41 C ATOM 306 O ALA A 696 9.176 -2.675 0.607 1.00 51.45 O ATOM 307 CB ALA A 696 5.958 -2.919 0.016 1.00 11.45 C ATOM 0 H ALA A 696 5.320 -1.907 2.164 1.00 14.05 H new ATOM 0 HA ALA A 696 7.184 -3.913 1.453 1.00 73.24 H new ATOM 0 HB1 ALA A 696 6.487 -3.329 -0.844 1.00 11.45 H new ATOM 0 HB2 ALA A 696 5.092 -3.542 0.241 1.00 11.45 H new ATOM 0 HB3 ALA A 696 5.627 -1.906 -0.211 1.00 11.45 H new ATOM 313 N VAL A 697 8.039 -0.770 0.963 1.00 72.21 N ATOM 314 CA VAL A 697 9.174 0.066 0.618 1.00 75.13 C ATOM 315 C VAL A 697 10.351 -0.156 1.580 1.00 45.20 C ATOM 316 O VAL A 697 11.483 -0.319 1.136 1.00 23.55 O ATOM 317 CB VAL A 697 8.830 1.587 0.470 1.00 60.55 C ATOM 318 CG1 VAL A 697 8.385 2.213 1.767 1.00 21.45 C ATOM 319 CG2 VAL A 697 10.004 2.324 -0.099 1.00 10.41 C ATOM 0 H VAL A 697 7.202 -0.264 1.252 1.00 72.21 H new ATOM 0 HA VAL A 697 9.479 -0.258 -0.377 1.00 75.13 H new ATOM 0 HB VAL A 697 7.986 1.663 -0.216 1.00 60.55 H new ATOM 0 HG11 VAL A 697 8.160 3.267 1.604 1.00 21.45 H new ATOM 0 HG12 VAL A 697 7.492 1.703 2.130 1.00 21.45 H new ATOM 0 HG13 VAL A 697 9.180 2.122 2.507 1.00 21.45 H new ATOM 0 HG21 VAL A 697 9.757 3.381 -0.199 1.00 10.41 H new ATOM 0 HG22 VAL A 697 10.860 2.213 0.566 1.00 10.41 H new ATOM 0 HG23 VAL A 697 10.250 1.915 -1.079 1.00 10.41 H new ATOM 329 N GLU A 698 10.076 -0.207 2.890 1.00 34.23 N ATOM 330 CA GLU A 698 11.128 -0.471 3.881 1.00 14.11 C ATOM 331 C GLU A 698 11.787 -1.820 3.638 1.00 1.13 C ATOM 332 O GLU A 698 12.998 -1.977 3.795 1.00 1.44 O ATOM 333 CB GLU A 698 10.603 -0.392 5.306 1.00 4.51 C ATOM 334 CG GLU A 698 10.155 0.989 5.723 1.00 44.13 C ATOM 335 CD GLU A 698 9.771 1.041 7.172 1.00 54.11 C ATOM 336 OE1 GLU A 698 10.671 1.095 8.031 1.00 74.13 O ATOM 337 OE2 GLU A 698 8.568 1.039 7.483 1.00 41.13 O ATOM 0 H GLU A 698 9.146 -0.071 3.285 1.00 34.23 H new ATOM 0 HA GLU A 698 11.877 0.311 3.758 1.00 14.11 H new ATOM 0 HB2 GLU A 698 9.765 -1.081 5.412 1.00 4.51 H new ATOM 0 HB3 GLU A 698 11.383 -0.731 5.988 1.00 4.51 H new ATOM 0 HG2 GLU A 698 10.957 1.703 5.535 1.00 44.13 H new ATOM 0 HG3 GLU A 698 9.306 1.295 5.112 1.00 44.13 H new ATOM 344 N SER A 699 10.984 -2.781 3.226 1.00 0.53 N ATOM 345 CA SER A 699 11.464 -4.110 2.918 1.00 11.24 C ATOM 346 C SER A 699 12.307 -4.091 1.630 1.00 33.44 C ATOM 347 O SER A 699 13.201 -4.919 1.449 1.00 1.04 O ATOM 348 CB SER A 699 10.289 -5.080 2.802 1.00 74.32 C ATOM 349 OG SER A 699 9.523 -5.088 4.013 1.00 55.42 O ATOM 0 H SER A 699 9.980 -2.660 3.096 1.00 0.53 H new ATOM 0 HA SER A 699 12.106 -4.454 3.729 1.00 11.24 H new ATOM 0 HB2 SER A 699 9.653 -4.792 1.965 1.00 74.32 H new ATOM 0 HB3 SER A 699 10.658 -6.084 2.592 1.00 74.32 H new ATOM 0 HG SER A 699 8.812 -4.416 3.955 1.00 55.42 H new ATOM 355 N ARG A 700 12.005 -3.139 0.748 1.00 61.21 N ATOM 356 CA ARG A 700 12.734 -2.977 -0.494 1.00 34.30 C ATOM 357 C ARG A 700 14.113 -2.372 -0.173 1.00 24.33 C ATOM 358 O ARG A 700 15.127 -2.799 -0.741 1.00 24.34 O ATOM 359 CB ARG A 700 11.929 -2.085 -1.481 1.00 0.41 C ATOM 360 CG ARG A 700 12.395 -2.105 -2.959 1.00 0.42 C ATOM 361 CD ARG A 700 13.802 -1.572 -3.148 1.00 52.22 C ATOM 362 NE ARG A 700 14.260 -1.657 -4.525 1.00 31.33 N ATOM 363 CZ ARG A 700 15.541 -1.646 -4.889 1.00 13.24 C ATOM 364 NH1 ARG A 700 16.496 -1.604 -3.965 1.00 63.53 N ATOM 365 NH2 ARG A 700 15.863 -1.691 -6.175 1.00 63.44 N ATOM 0 H ARG A 700 11.251 -2.465 0.880 1.00 61.21 H new ATOM 0 HA ARG A 700 12.875 -3.942 -0.980 1.00 34.30 H new ATOM 0 HB2 ARG A 700 10.884 -2.394 -1.447 1.00 0.41 H new ATOM 0 HB3 ARG A 700 11.969 -1.056 -1.123 1.00 0.41 H new ATOM 0 HG2 ARG A 700 12.347 -3.127 -3.335 1.00 0.42 H new ATOM 0 HG3 ARG A 700 11.705 -1.512 -3.559 1.00 0.42 H new ATOM 0 HD2 ARG A 700 13.838 -0.532 -2.822 1.00 52.22 H new ATOM 0 HD3 ARG A 700 14.485 -2.130 -2.508 1.00 52.22 H new ATOM 0 HE ARG A 700 13.556 -1.730 -5.259 1.00 31.33 H new ATOM 0 HH11 ARG A 700 16.248 -1.580 -2.976 1.00 63.53 H new ATOM 0 HH12 ARG A 700 17.477 -1.596 -4.245 1.00 63.53 H new ATOM 0 HH21 ARG A 700 15.130 -1.734 -6.883 1.00 63.44 H new ATOM 0 HH22 ARG A 700 16.844 -1.683 -6.456 1.00 63.44 H new ATOM 379 N TYR A 701 14.151 -1.356 0.732 1.00 4.42 N ATOM 380 CA TYR A 701 15.446 -0.826 1.212 1.00 51.12 C ATOM 381 C TYR A 701 16.226 -1.984 1.772 1.00 1.12 C ATOM 382 O TYR A 701 17.383 -2.197 1.427 1.00 31.32 O ATOM 383 CB TYR A 701 15.297 0.223 2.339 1.00 21.50 C ATOM 384 CG TYR A 701 14.702 1.571 1.980 1.00 34.05 C ATOM 385 CD1 TYR A 701 13.352 1.793 2.046 1.00 44.31 C ATOM 386 CD2 TYR A 701 15.516 2.640 1.632 1.00 45.43 C ATOM 387 CE1 TYR A 701 12.806 3.016 1.779 1.00 54.14 C ATOM 388 CE2 TYR A 701 14.974 3.881 1.348 1.00 72.50 C ATOM 389 CZ TYR A 701 13.613 4.057 1.428 1.00 74.31 C ATOM 390 OH TYR A 701 13.058 5.287 1.161 1.00 74.51 O ATOM 0 H TYR A 701 13.327 -0.904 1.129 1.00 4.42 H new ATOM 0 HA TYR A 701 15.937 -0.338 0.370 1.00 51.12 H new ATOM 0 HB2 TYR A 701 14.682 -0.215 3.125 1.00 21.50 H new ATOM 0 HB3 TYR A 701 16.284 0.397 2.767 1.00 21.50 H new ATOM 0 HD1 TYR A 701 12.700 0.976 2.317 1.00 44.31 H new ATOM 0 HD2 TYR A 701 16.586 2.501 1.582 1.00 45.43 H new ATOM 0 HE1 TYR A 701 11.737 3.158 1.846 1.00 54.14 H new ATOM 0 HE2 TYR A 701 15.614 4.704 1.066 1.00 72.50 H new ATOM 0 HH TYR A 701 13.767 5.922 0.927 1.00 74.51 H new ATOM 400 N SER A 702 15.536 -2.743 2.619 1.00 24.14 N ATOM 401 CA SER A 702 16.039 -3.939 3.238 1.00 72.34 C ATOM 402 C SER A 702 17.242 -3.647 4.122 1.00 0.50 C ATOM 403 O SER A 702 18.370 -3.527 3.646 1.00 22.53 O ATOM 404 CB SER A 702 16.363 -5.014 2.178 1.00 52.31 C ATOM 405 OG SER A 702 16.768 -6.256 2.762 1.00 54.11 O ATOM 0 H SER A 702 14.579 -2.524 2.895 1.00 24.14 H new ATOM 0 HA SER A 702 15.255 -4.334 3.884 1.00 72.34 H new ATOM 0 HB2 SER A 702 15.485 -5.179 1.553 1.00 52.31 H new ATOM 0 HB3 SER A 702 17.155 -4.648 1.525 1.00 52.31 H new ATOM 0 HG SER A 702 16.960 -6.904 2.052 1.00 54.11 H new ATOM 411 N ARG A 703 16.999 -3.518 5.399 1.00 33.42 N ATOM 412 CA ARG A 703 18.066 -3.312 6.342 1.00 15.21 C ATOM 413 C ARG A 703 18.768 -4.650 6.611 1.00 5.34 C ATOM 414 O ARG A 703 18.637 -5.579 5.792 1.00 44.11 O ATOM 415 CB ARG A 703 17.566 -2.594 7.610 1.00 11.12 C ATOM 416 CG ARG A 703 16.388 -3.227 8.301 1.00 44.20 C ATOM 417 CD ARG A 703 15.976 -2.416 9.517 1.00 51.51 C ATOM 418 NE ARG A 703 14.777 -2.963 10.154 1.00 55.40 N ATOM 419 CZ ARG A 703 14.281 -2.582 11.331 1.00 4.14 C ATOM 420 NH1 ARG A 703 14.891 -1.648 12.046 1.00 14.23 N ATOM 421 NH2 ARG A 703 13.169 -3.146 11.791 1.00 3.31 N ATOM 0 H ARG A 703 16.067 -3.552 5.812 1.00 33.42 H new ATOM 0 HA ARG A 703 18.813 -2.639 5.921 1.00 15.21 H new ATOM 0 HB2 ARG A 703 18.391 -2.535 8.320 1.00 11.12 H new ATOM 0 HB3 ARG A 703 17.300 -1.571 7.344 1.00 11.12 H new ATOM 0 HG2 ARG A 703 15.551 -3.301 7.607 1.00 44.20 H new ATOM 0 HG3 ARG A 703 16.642 -4.243 8.605 1.00 44.20 H new ATOM 0 HD2 ARG A 703 16.794 -2.399 10.237 1.00 51.51 H new ATOM 0 HD3 ARG A 703 15.791 -1.384 9.220 1.00 51.51 H new ATOM 0 HE ARG A 703 14.278 -3.699 9.654 1.00 55.40 H new ATOM 0 HH11 ARG A 703 15.746 -1.215 11.697 1.00 14.23 H new ATOM 0 HH12 ARG A 703 14.505 -1.362 12.946 1.00 14.23 H new ATOM 0 HH21 ARG A 703 12.699 -3.867 11.244 1.00 3.31 H new ATOM 0 HH22 ARG A 703 12.786 -2.858 12.691 1.00 3.31 H new ATOM 435 N THR A 704 19.515 -4.769 7.691 1.00 53.10 N ATOM 436 CA THR A 704 20.311 -5.966 7.888 1.00 62.33 C ATOM 437 C THR A 704 19.509 -7.259 7.909 1.00 14.34 C ATOM 438 O THR A 704 18.466 -7.391 8.574 1.00 10.51 O ATOM 439 CB THR A 704 21.257 -5.913 9.091 1.00 25.12 C ATOM 440 OG1 THR A 704 22.080 -7.088 9.098 1.00 71.01 O ATOM 441 CG2 THR A 704 20.498 -5.818 10.401 1.00 52.14 C ATOM 0 H THR A 704 19.588 -4.070 8.430 1.00 53.10 H new ATOM 0 HA THR A 704 20.930 -5.979 6.991 1.00 62.33 H new ATOM 0 HB THR A 704 21.873 -5.018 8.997 1.00 25.12 H new ATOM 0 HG1 THR A 704 22.110 -7.461 10.004 1.00 71.01 H new ATOM 0 HG21 THR A 704 21.205 -5.783 11.230 1.00 52.14 H new ATOM 0 HG22 THR A 704 19.890 -4.914 10.404 1.00 52.14 H new ATOM 0 HG23 THR A 704 19.853 -6.690 10.512 1.00 52.14 H new ATOM 449 N GLU A 705 20.033 -8.192 7.194 1.00 40.54 N ATOM 450 CA GLU A 705 19.457 -9.515 7.030 1.00 2.32 C ATOM 451 C GLU A 705 20.182 -10.481 7.957 1.00 43.03 C ATOM 452 O GLU A 705 19.914 -11.678 7.970 1.00 54.05 O ATOM 453 CB GLU A 705 19.626 -9.961 5.574 1.00 51.11 C ATOM 454 CG GLU A 705 18.917 -9.069 4.554 1.00 54.51 C ATOM 455 CD GLU A 705 17.405 -9.182 4.588 1.00 54.13 C ATOM 456 OE1 GLU A 705 16.758 -8.620 5.491 1.00 2.24 O ATOM 457 OE2 GLU A 705 16.838 -9.842 3.694 1.00 21.11 O ATOM 0 H GLU A 705 20.906 -8.068 6.682 1.00 40.54 H new ATOM 0 HA GLU A 705 18.395 -9.499 7.277 1.00 2.32 H new ATOM 0 HB2 GLU A 705 20.689 -9.989 5.337 1.00 51.11 H new ATOM 0 HB3 GLU A 705 19.249 -10.979 5.472 1.00 51.11 H new ATOM 0 HG2 GLU A 705 19.199 -8.032 4.735 1.00 54.51 H new ATOM 0 HG3 GLU A 705 19.269 -9.325 3.555 1.00 54.51 H new ATOM 464 N GLY A 706 21.112 -9.945 8.714 1.00 71.34 N ATOM 465 CA GLY A 706 21.882 -10.722 9.640 1.00 53.31 C ATOM 466 C GLY A 706 22.856 -9.843 10.359 1.00 44.22 C ATOM 467 O GLY A 706 22.441 -8.874 11.013 1.00 60.21 O ATOM 0 H GLY A 706 21.352 -8.954 8.700 1.00 71.34 H new ATOM 0 HA2 GLY A 706 21.221 -11.209 10.357 1.00 53.31 H new ATOM 0 HA3 GLY A 706 22.415 -11.512 9.110 1.00 53.31 H new ATOM 471 N SER A 707 24.152 -10.142 10.222 1.00 64.12 N ATOM 472 CA SER A 707 25.210 -9.343 10.835 1.00 33.40 C ATOM 473 C SER A 707 25.019 -9.329 12.379 1.00 33.11 C ATOM 474 O SER A 707 24.343 -10.200 12.935 1.00 1.34 O ATOM 475 CB SER A 707 25.172 -7.907 10.214 1.00 71.05 C ATOM 476 OG SER A 707 26.216 -7.062 10.681 1.00 24.32 O ATOM 0 H SER A 707 24.492 -10.940 9.686 1.00 64.12 H new ATOM 0 HA SER A 707 26.193 -9.771 10.637 1.00 33.40 H new ATOM 0 HB2 SER A 707 25.237 -7.987 9.129 1.00 71.05 H new ATOM 0 HB3 SER A 707 24.211 -7.446 10.443 1.00 71.05 H new ATOM 0 HG SER A 707 26.139 -6.182 10.256 1.00 24.32 H new ATOM 482 N LEU A 708 25.634 -8.386 13.051 1.00 63.11 N ATOM 483 CA LEU A 708 25.483 -8.250 14.492 1.00 3.30 C ATOM 484 C LEU A 708 24.539 -7.102 14.817 1.00 53.11 C ATOM 485 O LEU A 708 24.401 -6.699 15.972 1.00 10.13 O ATOM 486 CB LEU A 708 26.842 -8.015 15.164 1.00 65.51 C ATOM 487 CG LEU A 708 27.881 -9.127 15.014 1.00 24.43 C ATOM 488 CD1 LEU A 708 29.175 -8.733 15.706 1.00 31.54 C ATOM 489 CD2 LEU A 708 27.353 -10.438 15.582 1.00 71.10 C ATOM 0 H LEU A 708 26.250 -7.693 12.625 1.00 63.11 H new ATOM 0 HA LEU A 708 25.062 -9.178 14.878 1.00 3.30 H new ATOM 0 HB2 LEU A 708 27.267 -7.095 14.762 1.00 65.51 H new ATOM 0 HB3 LEU A 708 26.672 -7.849 16.228 1.00 65.51 H new ATOM 0 HG LEU A 708 28.081 -9.271 13.952 1.00 24.43 H new ATOM 0 HD11 LEU A 708 29.907 -9.533 15.592 1.00 31.54 H new ATOM 0 HD12 LEU A 708 29.564 -7.819 15.257 1.00 31.54 H new ATOM 0 HD13 LEU A 708 28.984 -8.564 16.766 1.00 31.54 H new ATOM 0 HD21 LEU A 708 28.108 -11.215 15.465 1.00 71.10 H new ATOM 0 HD22 LEU A 708 27.125 -10.310 16.640 1.00 71.10 H new ATOM 0 HD23 LEU A 708 26.448 -10.728 15.048 1.00 71.10 H new ATOM 501 N ASP A 709 23.883 -6.587 13.804 1.00 13.41 N ATOM 502 CA ASP A 709 22.972 -5.469 13.984 1.00 23.21 C ATOM 503 C ASP A 709 21.553 -6.012 14.150 1.00 2.11 C ATOM 504 O ASP A 709 21.230 -7.079 13.604 1.00 21.04 O ATOM 505 CB ASP A 709 23.099 -4.492 12.805 1.00 3.14 C ATOM 506 CG ASP A 709 22.333 -3.203 13.004 1.00 53.40 C ATOM 507 OD1 ASP A 709 22.813 -2.348 13.788 1.00 32.42 O ATOM 508 OD2 ASP A 709 21.301 -2.996 12.359 1.00 15.50 O ATOM 0 H ASP A 709 23.960 -6.921 12.843 1.00 13.41 H new ATOM 0 HA ASP A 709 23.224 -4.907 14.884 1.00 23.21 H new ATOM 0 HB2 ASP A 709 24.152 -4.259 12.648 1.00 3.14 H new ATOM 0 HB3 ASP A 709 22.743 -4.981 11.898 1.00 3.14 H new ATOM 513 N GLY A 710 20.719 -5.310 14.894 1.00 2.34 N ATOM 514 CA GLY A 710 19.422 -5.844 15.251 1.00 53.42 C ATOM 515 C GLY A 710 18.304 -5.546 14.284 1.00 13.43 C ATOM 516 O GLY A 710 17.956 -4.381 14.051 1.00 34.15 O ATOM 0 H GLY A 710 20.915 -4.378 15.259 1.00 2.34 H new ATOM 0 HA2 GLY A 710 19.510 -6.926 15.354 1.00 53.42 H new ATOM 0 HA3 GLY A 710 19.145 -5.453 16.230 1.00 53.42 H new ATOM 520 N THR A 711 17.747 -6.599 13.721 1.00 0.21 N ATOM 521 CA THR A 711 16.586 -6.537 12.857 1.00 20.25 C ATOM 522 C THR A 711 15.923 -7.919 12.819 1.00 34.10 C ATOM 523 O THR A 711 16.333 -8.771 11.993 1.00 36.43 O ATOM 524 CB THR A 711 16.918 -6.077 11.409 1.00 34.40 C ATOM 525 OG1 THR A 711 17.498 -4.760 11.421 1.00 63.44 O ATOM 526 CG2 THR A 711 15.650 -6.053 10.571 1.00 3.20 C ATOM 527 OXT THR A 711 15.017 -8.170 13.636 1.00 36.43 O ATOM 0 H THR A 711 18.099 -7.547 13.856 1.00 0.21 H new ATOM 0 HA THR A 711 15.912 -5.787 13.273 1.00 20.25 H new ATOM 0 HB THR A 711 17.632 -6.780 10.979 1.00 34.40 H new ATOM 0 HG1 THR A 711 17.447 -4.388 12.326 1.00 63.44 H new ATOM 0 HG21 THR A 711 15.889 -5.730 9.558 1.00 3.20 H new ATOM 0 HG22 THR A 711 15.215 -7.052 10.540 1.00 3.20 H new ATOM 0 HG23 THR A 711 14.935 -5.360 11.013 1.00 3.20 H new TER 535 THR A 711