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+ 176:sc= 1.25 (180deg=1.18) USER MOD Single : A 682 THR OG1 : rot 180:sc= 0 USER MOD Single : A 684 THR OG1 : rot 180:sc= 0 USER MOD Single : A 686 TYR OH : rot 180:sc= 0 USER MOD Single : A 687 SER OG : rot 95:sc= 1.25 USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 76:sc= 1.25 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= 0.355 USER MOD Single : A 707 SER OG : rot -37:sc= 0.0719 USER MOD Single : A 711 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 677 -21.866 3.086 3.403 1.00 52.33 N ATOM 2 CA LEU A 677 -20.875 4.160 3.430 1.00 0.11 C ATOM 3 C LEU A 677 -19.812 3.856 4.468 1.00 55.35 C ATOM 4 O LEU A 677 -20.097 3.826 5.679 1.00 64.13 O ATOM 5 CB LEU A 677 -21.542 5.515 3.738 1.00 1.52 C ATOM 6 CG LEU A 677 -20.613 6.737 3.781 1.00 35.13 C ATOM 7 CD1 LEU A 677 -19.941 6.961 2.432 1.00 54.42 C ATOM 8 CD2 LEU A 677 -21.378 7.979 4.207 1.00 42.30 C ATOM 0 HA LEU A 677 -20.409 4.224 2.446 1.00 0.11 H new ATOM 0 HB2 LEU A 677 -22.311 5.696 2.987 1.00 1.52 H new ATOM 0 HB3 LEU A 677 -22.048 5.436 4.700 1.00 1.52 H new ATOM 0 HG LEU A 677 -19.835 6.541 4.519 1.00 35.13 H new ATOM 0 HD11 LEU A 677 -19.289 7.832 2.491 1.00 54.42 H new ATOM 0 HD12 LEU A 677 -19.351 6.083 2.169 1.00 54.42 H new ATOM 0 HD13 LEU A 677 -20.702 7.128 1.670 1.00 54.42 H new ATOM 0 HD21 LEU A 677 -20.701 8.833 4.231 1.00 42.30 H new ATOM 0 HD22 LEU A 677 -22.182 8.173 3.497 1.00 42.30 H new ATOM 0 HD23 LEU A 677 -21.801 7.823 5.200 1.00 42.30 H new ATOM 20 N GLY A 678 -18.609 3.595 4.006 1.00 73.00 N ATOM 21 CA GLY A 678 -17.518 3.322 4.895 1.00 74.32 C ATOM 22 C GLY A 678 -16.862 2.001 4.586 1.00 12.44 C ATOM 23 O GLY A 678 -16.033 1.900 3.665 1.00 34.24 O ATOM 0 H GLY A 678 -18.368 3.568 3.015 1.00 73.00 H new ATOM 0 HA2 GLY A 678 -16.780 4.121 4.821 1.00 74.32 H new ATOM 0 HA3 GLY A 678 -17.879 3.317 5.923 1.00 74.32 H new ATOM 27 N LYS A 679 -17.218 0.989 5.331 1.00 43.34 N ATOM 28 CA LYS A 679 -16.662 -0.328 5.135 1.00 60.35 C ATOM 29 C LYS A 679 -17.483 -1.100 4.130 1.00 62.34 C ATOM 30 O LYS A 679 -18.708 -1.191 4.253 1.00 34.42 O ATOM 31 CB LYS A 679 -16.569 -1.085 6.458 1.00 74.12 C ATOM 32 CG LYS A 679 -15.609 -0.457 7.453 1.00 42.31 C ATOM 33 CD LYS A 679 -15.572 -1.230 8.755 1.00 1.23 C ATOM 34 CE LYS A 679 -14.558 -0.638 9.718 1.00 63.32 C ATOM 35 NZ LYS A 679 -14.540 -1.351 11.010 1.00 24.02 N ATOM 0 H LYS A 679 -17.898 1.051 6.088 1.00 43.34 H new ATOM 0 HA LYS A 679 -15.651 -0.218 4.743 1.00 60.35 H new ATOM 0 HB2 LYS A 679 -17.561 -1.138 6.907 1.00 74.12 H new ATOM 0 HB3 LYS A 679 -16.254 -2.109 6.259 1.00 74.12 H new ATOM 0 HG2 LYS A 679 -14.609 -0.421 7.022 1.00 42.31 H new ATOM 0 HG3 LYS A 679 -15.909 0.573 7.649 1.00 42.31 H new ATOM 0 HD2 LYS A 679 -16.561 -1.222 9.214 1.00 1.23 H new ATOM 0 HD3 LYS A 679 -15.322 -2.272 8.555 1.00 1.23 H new ATOM 0 HE2 LYS A 679 -13.566 -0.677 9.269 1.00 63.32 H new ATOM 0 HE3 LYS A 679 -14.790 0.413 9.887 1.00 63.32 H new ATOM 0 HZ1 LYS A 679 -13.834 -0.915 11.637 1.00 24.02 H new ATOM 0 HZ2 LYS A 679 -15.480 -1.292 11.452 1.00 24.02 H new ATOM 0 HZ3 LYS A 679 -14.293 -2.349 10.852 1.00 24.02 H new ATOM 49 N LYS A 680 -16.809 -1.631 3.141 1.00 41.32 N ATOM 50 CA LYS A 680 -17.431 -2.387 2.085 1.00 2.51 C ATOM 51 C LYS A 680 -16.315 -3.148 1.363 1.00 12.20 C ATOM 52 O LYS A 680 -16.230 -4.368 1.469 1.00 65.54 O ATOM 53 CB LYS A 680 -18.248 -1.425 1.147 1.00 4.00 C ATOM 54 CG LYS A 680 -19.131 -2.082 0.074 1.00 22.43 C ATOM 55 CD LYS A 680 -18.332 -2.688 -1.050 1.00 1.43 C ATOM 56 CE LYS A 680 -19.220 -3.390 -2.054 1.00 43.14 C ATOM 57 NZ LYS A 680 -18.427 -3.942 -3.164 1.00 34.44 N ATOM 0 H LYS A 680 -15.797 -1.548 3.046 1.00 41.32 H new ATOM 0 HA LYS A 680 -18.155 -3.109 2.463 1.00 2.51 H new ATOM 0 HB2 LYS A 680 -18.884 -0.800 1.774 1.00 4.00 H new ATOM 0 HB3 LYS A 680 -17.544 -0.761 0.646 1.00 4.00 H new ATOM 0 HG2 LYS A 680 -19.742 -2.856 0.537 1.00 22.43 H new ATOM 0 HG3 LYS A 680 -19.815 -1.337 -0.333 1.00 22.43 H new ATOM 0 HD2 LYS A 680 -17.761 -1.907 -1.553 1.00 1.43 H new ATOM 0 HD3 LYS A 680 -17.612 -3.398 -0.643 1.00 1.43 H new ATOM 0 HE2 LYS A 680 -19.769 -4.192 -1.561 1.00 43.14 H new ATOM 0 HE3 LYS A 680 -19.959 -2.690 -2.443 1.00 43.14 H new ATOM 0 HZ1 LYS A 680 -19.050 -4.476 -3.803 1.00 34.44 H new ATOM 0 HZ2 LYS A 680 -17.976 -3.165 -3.688 1.00 34.44 H new ATOM 0 HZ3 LYS A 680 -17.694 -4.575 -2.786 1.00 34.44 H new ATOM 71 N ASP A 681 -15.436 -2.410 0.677 1.00 60.42 N ATOM 72 CA ASP A 681 -14.243 -2.975 0.002 1.00 0.33 C ATOM 73 C ASP A 681 -13.181 -1.927 -0.241 1.00 52.54 C ATOM 74 O ASP A 681 -12.273 -1.748 0.570 1.00 34.13 O ATOM 75 CB ASP A 681 -14.523 -3.657 -1.360 1.00 14.34 C ATOM 76 CG ASP A 681 -15.240 -4.984 -1.304 1.00 43.51 C ATOM 77 OD1 ASP A 681 -14.630 -5.997 -0.876 1.00 60.24 O ATOM 78 OD2 ASP A 681 -16.404 -5.057 -1.745 1.00 64.42 O ATOM 0 H ASP A 681 -15.524 -1.400 0.569 1.00 60.42 H new ATOM 0 HA ASP A 681 -13.903 -3.736 0.704 1.00 0.33 H new ATOM 0 HB2 ASP A 681 -15.113 -2.974 -1.971 1.00 14.34 H new ATOM 0 HB3 ASP A 681 -13.572 -3.802 -1.873 1.00 14.34 H new ATOM 83 N THR A 682 -13.366 -1.172 -1.324 1.00 71.24 N ATOM 84 CA THR A 682 -12.367 -0.262 -1.883 1.00 5.42 C ATOM 85 C THR A 682 -11.803 0.736 -0.863 1.00 15.05 C ATOM 86 O THR A 682 -10.600 1.038 -0.886 1.00 12.22 O ATOM 87 CB THR A 682 -13.002 0.507 -3.069 1.00 21.34 C ATOM 88 OG1 THR A 682 -13.540 -0.441 -4.007 1.00 33.21 O ATOM 89 CG2 THR A 682 -11.980 1.378 -3.785 1.00 74.43 C ATOM 0 H THR A 682 -14.239 -1.177 -1.851 1.00 71.24 H new ATOM 0 HA THR A 682 -11.524 -0.871 -2.210 1.00 5.42 H new ATOM 0 HB THR A 682 -13.786 1.153 -2.673 1.00 21.34 H new ATOM 0 HG1 THR A 682 -13.945 0.038 -4.760 1.00 33.21 H new ATOM 0 HG21 THR A 682 -12.463 1.901 -4.610 1.00 74.43 H new ATOM 0 HG22 THR A 682 -11.568 2.105 -3.085 1.00 74.43 H new ATOM 0 HG23 THR A 682 -11.176 0.752 -4.173 1.00 74.43 H new ATOM 97 N GLU A 683 -12.626 1.185 0.055 1.00 44.33 N ATOM 98 CA GLU A 683 -12.182 2.192 1.007 1.00 33.21 C ATOM 99 C GLU A 683 -11.194 1.623 1.982 1.00 0.31 C ATOM 100 O GLU A 683 -10.142 2.200 2.213 1.00 4.44 O ATOM 101 CB GLU A 683 -13.335 2.833 1.759 1.00 12.30 C ATOM 102 CG GLU A 683 -14.300 3.584 0.886 1.00 4.43 C ATOM 103 CD GLU A 683 -13.617 4.644 0.077 1.00 22.52 C ATOM 104 OE1 GLU A 683 -13.060 5.587 0.665 1.00 71.30 O ATOM 105 OE2 GLU A 683 -13.653 4.563 -1.173 1.00 61.04 O ATOM 0 H GLU A 683 -13.593 0.879 0.168 1.00 44.33 H new ATOM 0 HA GLU A 683 -11.696 2.970 0.419 1.00 33.21 H new ATOM 0 HB2 GLU A 683 -13.879 2.057 2.298 1.00 12.30 H new ATOM 0 HB3 GLU A 683 -12.931 3.516 2.506 1.00 12.30 H new ATOM 0 HG2 GLU A 683 -14.803 2.886 0.217 1.00 4.43 H new ATOM 0 HG3 GLU A 683 -15.070 4.042 1.507 1.00 4.43 H new ATOM 112 N THR A 684 -11.513 0.487 2.531 1.00 53.51 N ATOM 113 CA THR A 684 -10.660 -0.113 3.500 1.00 34.41 C ATOM 114 C THR A 684 -9.428 -0.711 2.828 1.00 25.32 C ATOM 115 O THR A 684 -8.310 -0.538 3.307 1.00 3.41 O ATOM 116 CB THR A 684 -11.407 -1.183 4.303 1.00 11.24 C ATOM 117 OG1 THR A 684 -12.616 -0.607 4.849 1.00 10.32 O ATOM 118 CG2 THR A 684 -10.540 -1.683 5.445 1.00 4.44 C ATOM 0 H THR A 684 -12.361 -0.039 2.320 1.00 53.51 H new ATOM 0 HA THR A 684 -10.336 0.663 4.193 1.00 34.41 H new ATOM 0 HB THR A 684 -11.649 -2.017 3.645 1.00 11.24 H new ATOM 0 HG1 THR A 684 -13.099 -1.287 5.363 1.00 10.32 H new ATOM 0 HG21 THR A 684 -11.082 -2.443 6.008 1.00 4.44 H new ATOM 0 HG22 THR A 684 -9.623 -2.114 5.044 1.00 4.44 H new ATOM 0 HG23 THR A 684 -10.292 -0.851 6.104 1.00 4.44 H new ATOM 126 N VAL A 685 -9.643 -1.353 1.690 1.00 44.00 N ATOM 127 CA VAL A 685 -8.576 -2.011 0.950 1.00 4.20 C ATOM 128 C VAL A 685 -7.496 -1.040 0.543 1.00 64.22 C ATOM 129 O VAL A 685 -6.336 -1.252 0.837 1.00 4.40 O ATOM 130 CB VAL A 685 -9.115 -2.734 -0.290 1.00 73.31 C ATOM 131 CG1 VAL A 685 -7.982 -3.356 -1.104 1.00 63.12 C ATOM 132 CG2 VAL A 685 -10.091 -3.795 0.133 1.00 42.12 C ATOM 0 H VAL A 685 -10.561 -1.433 1.253 1.00 44.00 H new ATOM 0 HA VAL A 685 -8.141 -2.749 1.624 1.00 4.20 H new ATOM 0 HB VAL A 685 -9.619 -2.004 -0.924 1.00 73.31 H new ATOM 0 HG11 VAL A 685 -8.396 -3.861 -1.977 1.00 63.12 H new ATOM 0 HG12 VAL A 685 -7.296 -2.574 -1.429 1.00 63.12 H new ATOM 0 HG13 VAL A 685 -7.445 -4.077 -0.488 1.00 63.12 H new ATOM 0 HG21 VAL A 685 -10.474 -4.309 -0.748 1.00 42.12 H new ATOM 0 HG22 VAL A 685 -9.589 -4.513 0.782 1.00 42.12 H new ATOM 0 HG23 VAL A 685 -10.918 -3.334 0.673 1.00 42.12 H new ATOM 142 N TYR A 686 -7.863 0.036 -0.097 1.00 60.44 N ATOM 143 CA TYR A 686 -6.864 0.973 -0.503 1.00 33.53 C ATOM 144 C TYR A 686 -6.250 1.716 0.648 1.00 73.32 C ATOM 145 O TYR A 686 -5.111 2.150 0.564 1.00 51.41 O ATOM 146 CB TYR A 686 -7.308 1.855 -1.648 1.00 11.20 C ATOM 147 CG TYR A 686 -7.355 1.078 -2.937 1.00 45.33 C ATOM 148 CD1 TYR A 686 -6.177 0.754 -3.588 1.00 1.25 C ATOM 149 CD2 TYR A 686 -8.547 0.659 -3.493 1.00 25.44 C ATOM 150 CE1 TYR A 686 -6.179 0.034 -4.757 1.00 2.21 C ATOM 151 CE2 TYR A 686 -8.564 -0.065 -4.673 1.00 62.52 C ATOM 152 CZ TYR A 686 -7.373 -0.373 -5.298 1.00 32.42 C ATOM 153 OH TYR A 686 -7.377 -1.102 -6.473 1.00 14.11 O ATOM 0 H TYR A 686 -8.823 0.279 -0.342 1.00 60.44 H new ATOM 0 HA TYR A 686 -6.046 0.381 -0.914 1.00 33.53 H new ATOM 0 HB2 TYR A 686 -8.293 2.270 -1.432 1.00 11.20 H new ATOM 0 HB3 TYR A 686 -6.623 2.697 -1.751 1.00 11.20 H new ATOM 0 HD1 TYR A 686 -5.236 1.075 -3.167 1.00 1.25 H new ATOM 0 HD2 TYR A 686 -9.478 0.899 -3.001 1.00 25.44 H new ATOM 0 HE1 TYR A 686 -5.248 -0.210 -5.247 1.00 2.21 H new ATOM 0 HE2 TYR A 686 -9.502 -0.386 -5.101 1.00 62.52 H new ATOM 0 HH TYR A 686 -8.300 -1.314 -6.723 1.00 14.11 H new ATOM 163 N SER A 687 -6.970 1.821 1.740 1.00 22.22 N ATOM 164 CA SER A 687 -6.407 2.434 2.919 1.00 33.24 C ATOM 165 C SER A 687 -5.364 1.504 3.562 1.00 71.54 C ATOM 166 O SER A 687 -4.331 1.960 4.048 1.00 51.12 O ATOM 167 CB SER A 687 -7.488 2.865 3.895 1.00 62.34 C ATOM 168 OG SER A 687 -8.359 3.810 3.270 1.00 3.14 O ATOM 0 H SER A 687 -7.932 1.496 1.837 1.00 22.22 H new ATOM 0 HA SER A 687 -5.889 3.346 2.621 1.00 33.24 H new ATOM 0 HB2 SER A 687 -8.057 1.997 4.227 1.00 62.34 H new ATOM 0 HB3 SER A 687 -7.034 3.307 4.782 1.00 62.34 H new ATOM 0 HG SER A 687 -9.140 3.344 2.905 1.00 3.14 H new ATOM 174 N GLU A 688 -5.619 0.195 3.534 1.00 0.42 N ATOM 175 CA GLU A 688 -4.641 -0.751 4.031 1.00 54.43 C ATOM 176 C GLU A 688 -3.472 -0.880 3.064 1.00 33.24 C ATOM 177 O GLU A 688 -2.349 -1.132 3.474 1.00 52.35 O ATOM 178 CB GLU A 688 -5.255 -2.094 4.442 1.00 54.31 C ATOM 179 CG GLU A 688 -6.046 -2.800 3.380 1.00 12.23 C ATOM 180 CD GLU A 688 -6.719 -4.030 3.903 1.00 45.41 C ATOM 181 OE1 GLU A 688 -7.760 -3.899 4.567 1.00 23.21 O ATOM 182 OE2 GLU A 688 -6.222 -5.148 3.668 1.00 11.22 O ATOM 0 H GLU A 688 -6.480 -0.221 3.178 1.00 0.42 H new ATOM 0 HA GLU A 688 -4.238 -0.348 4.960 1.00 54.43 H new ATOM 0 HB2 GLU A 688 -4.452 -2.754 4.771 1.00 54.31 H new ATOM 0 HB3 GLU A 688 -5.903 -1.928 5.302 1.00 54.31 H new ATOM 0 HG2 GLU A 688 -6.797 -2.121 2.976 1.00 12.23 H new ATOM 0 HG3 GLU A 688 -5.385 -3.071 2.557 1.00 12.23 H new ATOM 189 N VAL A 689 -3.739 -0.669 1.777 1.00 75.12 N ATOM 190 CA VAL A 689 -2.674 -0.593 0.783 1.00 0.12 C ATOM 191 C VAL A 689 -1.796 0.634 1.065 1.00 32.13 C ATOM 192 O VAL A 689 -0.591 0.582 0.903 1.00 71.23 O ATOM 193 CB VAL A 689 -3.213 -0.566 -0.684 1.00 3.13 C ATOM 194 CG1 VAL A 689 -2.076 -0.367 -1.685 1.00 41.12 C ATOM 195 CG2 VAL A 689 -3.929 -1.863 -0.995 1.00 75.41 C ATOM 0 H VAL A 689 -4.679 -0.548 1.401 1.00 75.12 H new ATOM 0 HA VAL A 689 -2.077 -1.501 0.870 1.00 0.12 H new ATOM 0 HB VAL A 689 -3.906 0.271 -0.772 1.00 3.13 H new ATOM 0 HG11 VAL A 689 -2.481 -0.352 -2.697 1.00 41.12 H new ATOM 0 HG12 VAL A 689 -1.573 0.579 -1.481 1.00 41.12 H new ATOM 0 HG13 VAL A 689 -1.362 -1.185 -1.592 1.00 41.12 H new ATOM 0 HG21 VAL A 689 -4.302 -1.836 -2.019 1.00 75.41 H new ATOM 0 HG22 VAL A 689 -3.236 -2.697 -0.882 1.00 75.41 H new ATOM 0 HG23 VAL A 689 -4.765 -1.991 -0.308 1.00 75.41 H new ATOM 205 N ARG A 690 -2.416 1.723 1.530 1.00 0.25 N ATOM 206 CA ARG A 690 -1.688 2.914 1.927 1.00 31.30 C ATOM 207 C ARG A 690 -0.769 2.627 3.116 1.00 21.33 C ATOM 208 O ARG A 690 0.310 3.215 3.240 1.00 30.45 O ATOM 209 CB ARG A 690 -2.641 4.061 2.240 1.00 30.32 C ATOM 210 CG ARG A 690 -3.408 4.596 1.043 1.00 10.33 C ATOM 211 CD ARG A 690 -2.484 5.091 -0.069 1.00 55.41 C ATOM 212 NE ARG A 690 -3.259 5.667 -1.175 1.00 62.42 N ATOM 213 CZ ARG A 690 -2.788 6.003 -2.383 1.00 71.43 C ATOM 214 NH1 ARG A 690 -1.511 5.827 -2.689 1.00 35.45 N ATOM 215 NH2 ARG A 690 -3.611 6.515 -3.287 1.00 52.31 N ATOM 0 H ARG A 690 -3.428 1.796 1.638 1.00 0.25 H new ATOM 0 HA ARG A 690 -1.064 3.217 1.086 1.00 31.30 H new ATOM 0 HB2 ARG A 690 -3.356 3.726 2.992 1.00 30.32 H new ATOM 0 HB3 ARG A 690 -2.071 4.878 2.683 1.00 30.32 H new ATOM 0 HG2 ARG A 690 -4.056 3.812 0.651 1.00 10.33 H new ATOM 0 HG3 ARG A 690 -4.054 5.413 1.365 1.00 10.33 H new ATOM 0 HD2 ARG A 690 -1.798 5.839 0.328 1.00 55.41 H new ATOM 0 HD3 ARG A 690 -1.876 4.265 -0.437 1.00 55.41 H new ATOM 0 HE ARG A 690 -4.252 5.827 -1.007 1.00 62.42 H new ATOM 0 HH11 ARG A 690 -0.871 5.431 -2.000 1.00 35.45 H new ATOM 0 HH12 ARG A 690 -1.167 6.088 -3.613 1.00 35.45 H new ATOM 0 HH21 ARG A 690 -4.596 6.651 -3.061 1.00 52.31 H new ATOM 0 HH22 ARG A 690 -3.259 6.773 -4.209 1.00 52.31 H new ATOM 229 N LYS A 691 -1.187 1.706 3.970 1.00 64.52 N ATOM 230 CA LYS A 691 -0.371 1.264 5.094 1.00 33.01 C ATOM 231 C LYS A 691 0.724 0.325 4.581 1.00 33.21 C ATOM 232 O LYS A 691 1.818 0.241 5.134 1.00 2.23 O ATOM 233 CB LYS A 691 -1.241 0.567 6.158 1.00 42.52 C ATOM 234 CG LYS A 691 -0.469 0.027 7.355 1.00 71.15 C ATOM 235 CD LYS A 691 0.294 1.127 8.085 1.00 15.50 C ATOM 236 CE LYS A 691 1.089 0.553 9.239 1.00 63.24 C ATOM 237 NZ LYS A 691 1.863 1.584 9.959 1.00 63.24 N ATOM 0 H LYS A 691 -2.095 1.245 3.906 1.00 64.52 H new ATOM 0 HA LYS A 691 0.094 2.130 5.566 1.00 33.01 H new ATOM 0 HB2 LYS A 691 -1.991 1.273 6.515 1.00 42.52 H new ATOM 0 HB3 LYS A 691 -1.777 -0.257 5.687 1.00 42.52 H new ATOM 0 HG2 LYS A 691 -1.161 -0.454 8.046 1.00 71.15 H new ATOM 0 HG3 LYS A 691 0.231 -0.739 7.020 1.00 71.15 H new ATOM 0 HD2 LYS A 691 0.965 1.633 7.391 1.00 15.50 H new ATOM 0 HD3 LYS A 691 -0.405 1.877 8.456 1.00 15.50 H new ATOM 0 HE2 LYS A 691 0.410 0.061 9.935 1.00 63.24 H new ATOM 0 HE3 LYS A 691 1.769 -0.211 8.863 1.00 63.24 H new ATOM 0 HZ1 LYS A 691 2.389 1.141 10.739 1.00 63.24 H new ATOM 0 HZ2 LYS A 691 2.531 2.037 9.304 1.00 63.24 H new ATOM 0 HZ3 LYS A 691 1.214 2.301 10.342 1.00 63.24 H new ATOM 251 N ALA A 692 0.419 -0.349 3.504 1.00 23.10 N ATOM 252 CA ALA A 692 1.336 -1.258 2.873 1.00 25.14 C ATOM 253 C ALA A 692 2.305 -0.506 1.938 1.00 10.40 C ATOM 254 O ALA A 692 3.115 -1.122 1.245 1.00 51.23 O ATOM 255 CB ALA A 692 0.572 -2.331 2.117 1.00 73.41 C ATOM 0 H ALA A 692 -0.484 -0.281 3.035 1.00 23.10 H new ATOM 0 HA ALA A 692 1.933 -1.740 3.647 1.00 25.14 H new ATOM 0 HB1 ALA A 692 1.277 -3.014 1.643 1.00 73.41 H new ATOM 0 HB2 ALA A 692 -0.059 -2.885 2.811 1.00 73.41 H new ATOM 0 HB3 ALA A 692 -0.051 -1.865 1.353 1.00 73.41 H new ATOM 261 N VAL A 693 2.202 0.814 1.912 1.00 72.44 N ATOM 262 CA VAL A 693 3.111 1.660 1.134 1.00 32.10 C ATOM 263 C VAL A 693 4.487 1.763 1.831 1.00 30.12 C ATOM 264 O VAL A 693 5.515 1.497 1.198 1.00 30.14 O ATOM 265 CB VAL A 693 2.509 3.072 0.820 1.00 72.40 C ATOM 266 CG1 VAL A 693 3.515 3.958 0.102 1.00 52.15 C ATOM 267 CG2 VAL A 693 1.273 2.926 -0.042 1.00 0.23 C ATOM 0 H VAL A 693 1.490 1.333 2.426 1.00 72.44 H new ATOM 0 HA VAL A 693 3.253 1.177 0.167 1.00 32.10 H new ATOM 0 HB VAL A 693 2.250 3.541 1.769 1.00 72.40 H new ATOM 0 HG11 VAL A 693 3.065 4.930 -0.101 1.00 52.15 H new ATOM 0 HG12 VAL A 693 4.396 4.090 0.730 1.00 52.15 H new ATOM 0 HG13 VAL A 693 3.806 3.490 -0.838 1.00 52.15 H new ATOM 0 HG21 VAL A 693 0.860 3.912 -0.256 1.00 0.23 H new ATOM 0 HG22 VAL A 693 1.538 2.433 -0.977 1.00 0.23 H new ATOM 0 HG23 VAL A 693 0.530 2.328 0.486 1.00 0.23 H new ATOM 277 N PRO A 694 4.552 2.157 3.142 1.00 34.53 N ATOM 278 CA PRO A 694 5.807 2.101 3.884 1.00 14.11 C ATOM 279 C PRO A 694 6.301 0.650 3.976 1.00 71.31 C ATOM 280 O PRO A 694 7.495 0.391 3.997 1.00 35.10 O ATOM 281 CB PRO A 694 5.463 2.655 5.276 1.00 53.02 C ATOM 282 CG PRO A 694 3.976 2.625 5.360 1.00 11.25 C ATOM 283 CD PRO A 694 3.468 2.748 3.956 1.00 72.43 C ATOM 0 HA PRO A 694 6.604 2.672 3.407 1.00 14.11 H new ATOM 0 HB2 PRO A 694 5.913 2.048 6.062 1.00 53.02 H new ATOM 0 HB3 PRO A 694 5.843 3.669 5.400 1.00 53.02 H new ATOM 0 HG2 PRO A 694 3.632 1.697 5.817 1.00 11.25 H new ATOM 0 HG3 PRO A 694 3.606 3.442 5.979 1.00 11.25 H new ATOM 0 HD2 PRO A 694 2.528 2.213 3.821 1.00 72.43 H new ATOM 0 HD3 PRO A 694 3.285 3.788 3.685 1.00 72.43 H new ATOM 291 N ASP A 695 5.358 -0.295 4.002 1.00 73.45 N ATOM 292 CA ASP A 695 5.705 -1.720 3.975 1.00 45.25 C ATOM 293 C ASP A 695 6.458 -2.040 2.700 1.00 54.43 C ATOM 294 O ASP A 695 7.467 -2.729 2.726 1.00 1.32 O ATOM 295 CB ASP A 695 4.461 -2.609 4.066 1.00 41.12 C ATOM 296 CG ASP A 695 4.788 -4.093 3.921 1.00 73.15 C ATOM 297 OD1 ASP A 695 5.159 -4.739 4.932 1.00 60.20 O ATOM 298 OD2 ASP A 695 4.690 -4.625 2.802 1.00 61.12 O ATOM 0 H ASP A 695 4.357 -0.103 4.041 1.00 73.45 H new ATOM 0 HA ASP A 695 6.332 -1.924 4.843 1.00 45.25 H new ATOM 0 HB2 ASP A 695 3.968 -2.441 5.024 1.00 41.12 H new ATOM 0 HB3 ASP A 695 3.754 -2.319 3.289 1.00 41.12 H new ATOM 303 N ALA A 696 5.973 -1.506 1.589 1.00 63.35 N ATOM 304 CA ALA A 696 6.589 -1.719 0.289 1.00 23.23 C ATOM 305 C ALA A 696 8.034 -1.238 0.283 1.00 74.50 C ATOM 306 O ALA A 696 8.927 -1.947 -0.189 1.00 53.13 O ATOM 307 CB ALA A 696 5.789 -1.031 -0.804 1.00 32.23 C ATOM 0 H ALA A 696 5.143 -0.914 1.564 1.00 63.35 H new ATOM 0 HA ALA A 696 6.591 -2.791 0.089 1.00 23.23 H new ATOM 0 HB1 ALA A 696 6.267 -1.203 -1.768 1.00 32.23 H new ATOM 0 HB2 ALA A 696 4.777 -1.436 -0.824 1.00 32.23 H new ATOM 0 HB3 ALA A 696 5.748 0.040 -0.605 1.00 32.23 H new ATOM 313 N VAL A 697 8.279 -0.055 0.846 1.00 54.14 N ATOM 314 CA VAL A 697 9.635 0.460 0.875 1.00 2.21 C ATOM 315 C VAL A 697 10.517 -0.361 1.829 1.00 63.42 C ATOM 316 O VAL A 697 11.638 -0.699 1.493 1.00 21.43 O ATOM 317 CB VAL A 697 9.745 1.995 1.177 1.00 42.01 C ATOM 318 CG1 VAL A 697 9.258 2.362 2.561 1.00 64.13 C ATOM 319 CG2 VAL A 697 11.164 2.450 0.971 1.00 73.31 C ATOM 0 H VAL A 697 7.575 0.545 1.275 1.00 54.14 H new ATOM 0 HA VAL A 697 10.008 0.345 -0.143 1.00 2.21 H new ATOM 0 HB VAL A 697 9.087 2.512 0.478 1.00 42.01 H new ATOM 0 HG11 VAL A 697 9.360 3.437 2.709 1.00 64.13 H new ATOM 0 HG12 VAL A 697 8.211 2.079 2.665 1.00 64.13 H new ATOM 0 HG13 VAL A 697 9.852 1.835 3.307 1.00 64.13 H new ATOM 0 HG21 VAL A 697 11.238 3.517 1.181 1.00 73.31 H new ATOM 0 HG22 VAL A 697 11.823 1.901 1.643 1.00 73.31 H new ATOM 0 HG23 VAL A 697 11.460 2.262 -0.061 1.00 73.31 H new ATOM 329 N GLU A 698 9.987 -0.703 2.997 1.00 21.22 N ATOM 330 CA GLU A 698 10.703 -1.548 3.969 1.00 2.23 C ATOM 331 C GLU A 698 11.040 -2.915 3.383 1.00 24.04 C ATOM 332 O GLU A 698 12.043 -3.526 3.737 1.00 74.44 O ATOM 333 CB GLU A 698 9.919 -1.693 5.265 1.00 34.42 C ATOM 334 CG GLU A 698 9.797 -0.399 6.034 1.00 20.44 C ATOM 335 CD GLU A 698 9.049 -0.558 7.324 1.00 0.15 C ATOM 336 OE1 GLU A 698 9.571 -1.205 8.248 1.00 34.22 O ATOM 337 OE2 GLU A 698 7.923 -0.039 7.436 1.00 23.31 O ATOM 0 H GLU A 698 9.059 -0.411 3.303 1.00 21.22 H new ATOM 0 HA GLU A 698 11.642 -1.045 4.200 1.00 2.23 H new ATOM 0 HB2 GLU A 698 8.921 -2.069 5.038 1.00 34.42 H new ATOM 0 HB3 GLU A 698 10.405 -2.438 5.895 1.00 34.42 H new ATOM 0 HG2 GLU A 698 10.794 -0.010 6.243 1.00 20.44 H new ATOM 0 HG3 GLU A 698 9.290 0.340 5.414 1.00 20.44 H new ATOM 344 N SER A 699 10.206 -3.368 2.477 1.00 62.31 N ATOM 345 CA SER A 699 10.418 -4.601 1.750 1.00 71.21 C ATOM 346 C SER A 699 11.643 -4.485 0.825 1.00 74.22 C ATOM 347 O SER A 699 12.275 -5.488 0.474 1.00 63.52 O ATOM 348 CB SER A 699 9.166 -4.974 0.956 1.00 32.25 C ATOM 349 OG SER A 699 8.044 -5.147 1.824 1.00 72.33 O ATOM 0 H SER A 699 9.346 -2.883 2.219 1.00 62.31 H new ATOM 0 HA SER A 699 10.615 -5.396 2.469 1.00 71.21 H new ATOM 0 HB2 SER A 699 8.949 -4.195 0.225 1.00 32.25 H new ATOM 0 HB3 SER A 699 9.345 -5.893 0.398 1.00 32.25 H new ATOM 0 HG SER A 699 7.711 -4.270 2.107 1.00 72.33 H new ATOM 355 N ARG A 700 11.944 -3.260 0.405 1.00 1.12 N ATOM 356 CA ARG A 700 13.089 -2.993 -0.453 1.00 31.01 C ATOM 357 C ARG A 700 14.370 -2.970 0.372 1.00 4.42 C ATOM 358 O ARG A 700 15.438 -3.288 -0.137 1.00 12.23 O ATOM 359 CB ARG A 700 12.943 -1.655 -1.172 1.00 73.21 C ATOM 360 CG ARG A 700 11.695 -1.514 -2.033 1.00 42.41 C ATOM 361 CD ARG A 700 11.634 -2.569 -3.117 1.00 20.24 C ATOM 362 NE ARG A 700 10.493 -2.365 -4.021 1.00 23.05 N ATOM 363 CZ ARG A 700 9.955 -3.309 -4.804 1.00 63.22 C ATOM 364 NH1 ARG A 700 10.366 -4.568 -4.711 1.00 51.23 N ATOM 365 NH2 ARG A 700 8.992 -2.999 -5.669 1.00 53.22 N ATOM 0 H ARG A 700 11.403 -2.430 0.649 1.00 1.12 H new ATOM 0 HA ARG A 700 13.136 -3.790 -1.195 1.00 31.01 H new ATOM 0 HB2 ARG A 700 12.943 -0.859 -0.428 1.00 73.21 H new ATOM 0 HB3 ARG A 700 13.819 -1.502 -1.802 1.00 73.21 H new ATOM 0 HG2 ARG A 700 10.809 -1.590 -1.403 1.00 42.41 H new ATOM 0 HG3 ARG A 700 11.678 -0.524 -2.489 1.00 42.41 H new ATOM 0 HD2 ARG A 700 12.560 -2.552 -3.692 1.00 20.24 H new ATOM 0 HD3 ARG A 700 11.562 -3.555 -2.659 1.00 20.24 H new ATOM 0 HE ARG A 700 10.079 -1.433 -4.055 1.00 23.05 H new ATOM 0 HH11 ARG A 700 11.094 -4.819 -4.042 1.00 51.23 H new ATOM 0 HH12 ARG A 700 9.954 -5.284 -5.309 1.00 51.23 H new ATOM 0 HH21 ARG A 700 8.659 -2.037 -5.739 1.00 53.22 H new ATOM 0 HH22 ARG A 700 8.587 -3.723 -6.262 1.00 53.22 H new ATOM 379 N TYR A 701 14.251 -2.568 1.643 1.00 23.11 N ATOM 380 CA TYR A 701 15.390 -2.553 2.562 1.00 74.12 C ATOM 381 C TYR A 701 15.860 -3.972 2.855 1.00 44.42 C ATOM 382 O TYR A 701 15.337 -4.624 3.764 1.00 14.13 O ATOM 383 CB TYR A 701 15.062 -1.865 3.911 1.00 21.22 C ATOM 384 CG TYR A 701 14.874 -0.352 3.917 1.00 50.15 C ATOM 385 CD1 TYR A 701 13.717 0.246 3.446 1.00 12.24 C ATOM 386 CD2 TYR A 701 15.850 0.474 4.464 1.00 31.43 C ATOM 387 CE1 TYR A 701 13.539 1.605 3.513 1.00 41.04 C ATOM 388 CE2 TYR A 701 15.679 1.842 4.523 1.00 62.54 C ATOM 389 CZ TYR A 701 14.513 2.400 4.045 1.00 21.45 C ATOM 390 OH TYR A 701 14.319 3.772 4.106 1.00 1.55 O ATOM 0 H TYR A 701 13.375 -2.249 2.057 1.00 23.11 H new ATOM 0 HA TYR A 701 16.172 -1.982 2.062 1.00 74.12 H new ATOM 0 HB2 TYR A 701 14.150 -2.316 4.303 1.00 21.22 H new ATOM 0 HB3 TYR A 701 15.862 -2.105 4.611 1.00 21.22 H new ATOM 0 HD1 TYR A 701 12.940 -0.369 3.018 1.00 12.24 H new ATOM 0 HD2 TYR A 701 16.759 0.037 4.850 1.00 31.43 H new ATOM 0 HE1 TYR A 701 12.625 2.047 3.144 1.00 41.04 H new ATOM 0 HE2 TYR A 701 16.452 2.470 4.940 1.00 62.54 H new ATOM 0 HH TYR A 701 15.104 4.196 4.512 1.00 1.55 H new ATOM 400 N SER A 702 16.793 -4.451 2.050 1.00 62.33 N ATOM 401 CA SER A 702 17.388 -5.775 2.184 1.00 42.23 C ATOM 402 C SER A 702 16.372 -6.890 1.920 1.00 64.21 C ATOM 403 O SER A 702 15.490 -7.172 2.741 1.00 23.15 O ATOM 404 CB SER A 702 18.077 -5.961 3.556 1.00 5.00 C ATOM 405 OG SER A 702 18.689 -7.246 3.670 1.00 40.53 O ATOM 0 H SER A 702 17.169 -3.919 1.265 1.00 62.33 H new ATOM 0 HA SER A 702 18.159 -5.849 1.417 1.00 42.23 H new ATOM 0 HB2 SER A 702 18.831 -5.186 3.693 1.00 5.00 H new ATOM 0 HB3 SER A 702 17.343 -5.836 4.352 1.00 5.00 H new ATOM 0 HG SER A 702 19.116 -7.328 4.548 1.00 40.53 H new ATOM 411 N ARG A 703 16.490 -7.506 0.788 1.00 4.04 N ATOM 412 CA ARG A 703 15.648 -8.603 0.434 1.00 74.34 C ATOM 413 C ARG A 703 16.482 -9.752 -0.065 1.00 61.35 C ATOM 414 O ARG A 703 16.980 -9.735 -1.188 1.00 22.32 O ATOM 415 CB ARG A 703 14.601 -8.210 -0.613 1.00 11.11 C ATOM 416 CG ARG A 703 13.763 -9.387 -1.099 1.00 33.41 C ATOM 417 CD ARG A 703 12.745 -8.963 -2.136 1.00 51.12 C ATOM 418 NE ARG A 703 12.016 -10.109 -2.697 1.00 35.55 N ATOM 419 CZ ARG A 703 10.977 -10.017 -3.553 1.00 52.42 C ATOM 420 NH1 ARG A 703 10.503 -8.822 -3.910 1.00 43.25 N ATOM 421 NH2 ARG A 703 10.412 -11.126 -4.043 1.00 61.52 N ATOM 0 H ARG A 703 17.179 -7.260 0.077 1.00 4.04 H new ATOM 0 HA ARG A 703 15.109 -8.909 1.331 1.00 74.34 H new ATOM 0 HB2 ARG A 703 13.941 -7.453 -0.190 1.00 11.11 H new ATOM 0 HB3 ARG A 703 15.104 -7.754 -1.466 1.00 11.11 H new ATOM 0 HG2 ARG A 703 14.418 -10.149 -1.523 1.00 33.41 H new ATOM 0 HG3 ARG A 703 13.250 -9.843 -0.252 1.00 33.41 H new ATOM 0 HD2 ARG A 703 12.036 -8.269 -1.685 1.00 51.12 H new ATOM 0 HD3 ARG A 703 13.249 -8.426 -2.940 1.00 51.12 H new ATOM 0 HE ARG A 703 12.318 -11.043 -2.419 1.00 35.55 H new ATOM 0 HH11 ARG A 703 10.926 -7.973 -3.536 1.00 43.25 H new ATOM 0 HH12 ARG A 703 9.717 -8.758 -4.557 1.00 43.25 H new ATOM 0 HH21 ARG A 703 10.766 -12.043 -3.770 1.00 61.52 H new ATOM 0 HH22 ARG A 703 9.627 -11.055 -4.690 1.00 61.52 H new ATOM 435 N THR A 704 16.669 -10.714 0.771 1.00 53.12 N ATOM 436 CA THR A 704 17.369 -11.889 0.404 1.00 44.52 C ATOM 437 C THR A 704 16.418 -12.871 -0.270 1.00 42.22 C ATOM 438 O THR A 704 16.277 -12.877 -1.503 1.00 13.33 O ATOM 439 CB THR A 704 18.057 -12.507 1.630 1.00 75.33 C ATOM 440 OG1 THR A 704 17.124 -12.521 2.737 1.00 64.31 O ATOM 441 CG2 THR A 704 19.296 -11.720 2.015 1.00 0.13 C ATOM 0 H THR A 704 16.337 -10.704 1.735 1.00 53.12 H new ATOM 0 HA THR A 704 18.150 -11.636 -0.313 1.00 44.52 H new ATOM 0 HB THR A 704 18.365 -13.523 1.385 1.00 75.33 H new ATOM 0 HG1 THR A 704 17.555 -12.916 3.523 1.00 64.31 H new ATOM 0 HG21 THR A 704 19.763 -12.180 2.886 1.00 0.13 H new ATOM 0 HG22 THR A 704 20.000 -11.720 1.183 1.00 0.13 H new ATOM 0 HG23 THR A 704 19.016 -10.694 2.253 1.00 0.13 H new ATOM 449 N GLU A 705 15.730 -13.639 0.533 1.00 75.34 N ATOM 450 CA GLU A 705 14.729 -14.584 0.081 1.00 63.22 C ATOM 451 C GLU A 705 13.653 -14.757 1.129 1.00 51.03 C ATOM 452 O GLU A 705 13.643 -14.051 2.147 1.00 52.00 O ATOM 453 CB GLU A 705 15.321 -15.954 -0.293 1.00 44.43 C ATOM 454 CG GLU A 705 16.183 -15.964 -1.534 1.00 0.01 C ATOM 455 CD GLU A 705 16.486 -17.351 -2.004 1.00 30.43 C ATOM 456 OE1 GLU A 705 15.685 -17.902 -2.795 1.00 45.10 O ATOM 457 OE2 GLU A 705 17.514 -17.922 -1.601 1.00 1.13 O ATOM 0 H GLU A 705 15.849 -13.629 1.546 1.00 75.34 H new ATOM 0 HA GLU A 705 14.295 -14.164 -0.827 1.00 63.22 H new ATOM 0 HB2 GLU A 705 15.915 -16.317 0.546 1.00 44.43 H new ATOM 0 HB3 GLU A 705 14.502 -16.660 -0.433 1.00 44.43 H new ATOM 0 HG2 GLU A 705 15.678 -15.416 -2.329 1.00 0.01 H new ATOM 0 HG3 GLU A 705 17.117 -15.440 -1.329 1.00 0.01 H new ATOM 464 N GLY A 706 12.754 -15.678 0.882 1.00 3.21 N ATOM 465 CA GLY A 706 11.681 -15.935 1.787 1.00 24.32 C ATOM 466 C GLY A 706 10.967 -17.188 1.398 1.00 41.23 C ATOM 467 O GLY A 706 11.600 -18.221 1.185 1.00 41.31 O ATOM 0 H GLY A 706 12.753 -16.265 0.048 1.00 3.21 H new ATOM 0 HA2 GLY A 706 12.066 -16.028 2.802 1.00 24.32 H new ATOM 0 HA3 GLY A 706 10.985 -15.096 1.785 1.00 24.32 H new ATOM 471 N SER A 707 9.674 -17.105 1.268 1.00 11.21 N ATOM 472 CA SER A 707 8.883 -18.243 0.875 1.00 63.15 C ATOM 473 C SER A 707 8.551 -18.132 -0.630 1.00 34.33 C ATOM 474 O SER A 707 7.955 -19.036 -1.236 1.00 14.23 O ATOM 475 CB SER A 707 7.605 -18.286 1.734 1.00 44.34 C ATOM 476 OG SER A 707 6.847 -19.464 1.510 1.00 73.53 O ATOM 0 H SER A 707 9.138 -16.253 1.430 1.00 11.21 H new ATOM 0 HA SER A 707 9.434 -19.170 1.035 1.00 63.15 H new ATOM 0 HB2 SER A 707 7.876 -18.225 2.788 1.00 44.34 H new ATOM 0 HB3 SER A 707 6.991 -17.413 1.512 1.00 44.34 H new ATOM 0 HG SER A 707 6.893 -19.707 0.562 1.00 73.53 H new ATOM 482 N LEU A 708 8.942 -17.018 -1.219 1.00 30.32 N ATOM 483 CA LEU A 708 8.709 -16.770 -2.619 1.00 62.40 C ATOM 484 C LEU A 708 9.986 -17.116 -3.389 1.00 62.20 C ATOM 485 O LEU A 708 11.024 -16.445 -3.243 1.00 71.54 O ATOM 486 CB LEU A 708 8.290 -15.278 -2.809 1.00 61.11 C ATOM 487 CG LEU A 708 7.725 -14.812 -4.184 1.00 72.43 C ATOM 488 CD1 LEU A 708 8.744 -14.877 -5.303 1.00 74.20 C ATOM 489 CD2 LEU A 708 6.484 -15.603 -4.547 1.00 30.22 C ATOM 0 H LEU A 708 9.429 -16.263 -0.736 1.00 30.32 H new ATOM 0 HA LEU A 708 7.900 -17.390 -3.005 1.00 62.40 H new ATOM 0 HB2 LEU A 708 7.539 -15.050 -2.053 1.00 61.11 H new ATOM 0 HB3 LEU A 708 9.162 -14.663 -2.588 1.00 61.11 H new ATOM 0 HG LEU A 708 7.461 -13.761 -4.068 1.00 72.43 H new ATOM 0 HD11 LEU A 708 8.286 -14.539 -6.232 1.00 74.20 H new ATOM 0 HD12 LEU A 708 9.591 -14.235 -5.062 1.00 74.20 H new ATOM 0 HD13 LEU A 708 9.090 -15.904 -5.421 1.00 74.20 H new ATOM 0 HD21 LEU A 708 6.105 -15.263 -5.510 1.00 30.22 H new ATOM 0 HD22 LEU A 708 6.733 -16.662 -4.609 1.00 30.22 H new ATOM 0 HD23 LEU A 708 5.721 -15.453 -3.783 1.00 30.22 H new ATOM 501 N ASP A 709 9.914 -18.175 -4.165 1.00 61.32 N ATOM 502 CA ASP A 709 11.038 -18.648 -4.974 1.00 63.14 C ATOM 503 C ASP A 709 11.198 -17.763 -6.182 1.00 4.10 C ATOM 504 O ASP A 709 12.286 -17.237 -6.452 1.00 63.35 O ATOM 505 CB ASP A 709 10.792 -20.094 -5.433 1.00 53.12 C ATOM 506 CG ASP A 709 11.917 -20.663 -6.285 1.00 73.02 C ATOM 507 OD1 ASP A 709 11.949 -20.411 -7.514 1.00 20.12 O ATOM 508 OD2 ASP A 709 12.762 -21.405 -5.741 1.00 53.54 O ATOM 0 H ASP A 709 9.072 -18.743 -4.260 1.00 61.32 H new ATOM 0 HA ASP A 709 11.945 -18.615 -4.370 1.00 63.14 H new ATOM 0 HB2 ASP A 709 10.656 -20.727 -4.556 1.00 53.12 H new ATOM 0 HB3 ASP A 709 9.862 -20.133 -6.001 1.00 53.12 H new ATOM 513 N GLY A 710 10.106 -17.584 -6.890 1.00 53.54 N ATOM 514 CA GLY A 710 10.115 -16.775 -8.063 1.00 5.41 C ATOM 515 C GLY A 710 8.892 -17.013 -8.903 1.00 74.42 C ATOM 516 O GLY A 710 8.846 -17.965 -9.689 1.00 65.42 O ATOM 0 H GLY A 710 9.201 -17.995 -6.663 1.00 53.54 H new ATOM 0 HA2 GLY A 710 10.165 -15.723 -7.781 1.00 5.41 H new ATOM 0 HA3 GLY A 710 11.008 -16.991 -8.649 1.00 5.41 H new ATOM 520 N THR A 711 7.899 -16.182 -8.726 1.00 23.04 N ATOM 521 CA THR A 711 6.687 -16.253 -9.481 1.00 61.04 C ATOM 522 C THR A 711 6.039 -14.862 -9.513 1.00 41.45 C ATOM 523 O THR A 711 6.070 -14.215 -10.580 1.00 39.32 O ATOM 524 CB THR A 711 5.693 -17.385 -8.986 1.00 44.24 C ATOM 525 OG1 THR A 711 4.527 -17.447 -9.828 1.00 62.54 O ATOM 526 CG2 THR A 711 5.258 -17.193 -7.541 1.00 14.40 C ATOM 527 OXT THR A 711 5.586 -14.375 -8.466 1.00 39.32 O ATOM 0 H THR A 711 7.915 -15.426 -8.041 1.00 23.04 H new ATOM 0 HA THR A 711 6.937 -16.554 -10.498 1.00 61.04 H new ATOM 0 HB THR A 711 6.245 -18.323 -9.048 1.00 44.24 H new ATOM 0 HG1 THR A 711 3.928 -18.153 -9.506 1.00 62.54 H new ATOM 0 HG21 THR A 711 4.579 -17.996 -7.256 1.00 14.40 H new ATOM 0 HG22 THR A 711 6.134 -17.211 -6.892 1.00 14.40 H new ATOM 0 HG23 THR A 711 4.750 -16.234 -7.438 1.00 14.40 H new TER 535 THR A 711