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 Set 1.1: A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 684 THR OG1 : rot -110:sc= 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 686 TYR OH : rot 180:sc= 0 USER MOD Single : A 687 SER OG : rot 71:sc= 1.25 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 38:sc= 0.027 USER MOD Single : A 707 SER OG : rot 180:sc= 0 USER MOD Single : A 711 THR OG1 : rot -60:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 677 -14.862 -8.139 8.058 1.00 41.15 N ATOM 2 CA LEU A 677 -15.601 -9.386 7.879 1.00 64.43 C ATOM 3 C LEU A 677 -16.066 -9.590 6.441 1.00 21.21 C ATOM 4 O LEU A 677 -15.441 -10.342 5.691 1.00 14.04 O ATOM 5 CB LEU A 677 -16.775 -9.499 8.869 1.00 64.45 C ATOM 6 CG LEU A 677 -17.646 -10.761 8.764 1.00 42.15 C ATOM 7 CD1 LEU A 677 -16.812 -12.020 8.954 1.00 51.42 C ATOM 8 CD2 LEU A 677 -18.779 -10.710 9.779 1.00 75.22 C ATOM 0 HA LEU A 677 -14.901 -10.192 8.100 1.00 64.43 H new ATOM 0 HB2 LEU A 677 -16.373 -9.446 9.881 1.00 64.45 H new ATOM 0 HB3 LEU A 677 -17.418 -8.629 8.735 1.00 64.45 H new ATOM 0 HG LEU A 677 -18.077 -10.793 7.763 1.00 42.15 H new ATOM 0 HD11 LEU A 677 -17.454 -12.897 8.875 1.00 51.42 H new ATOM 0 HD12 LEU A 677 -16.040 -12.065 8.186 1.00 51.42 H new ATOM 0 HD13 LEU A 677 -16.344 -12.001 9.938 1.00 51.42 H new ATOM 0 HD21 LEU A 677 -19.387 -11.611 9.692 1.00 75.22 H new ATOM 0 HD22 LEU A 677 -18.364 -10.648 10.785 1.00 75.22 H new ATOM 0 HD23 LEU A 677 -19.399 -9.834 9.588 1.00 75.22 H new ATOM 20 N GLY A 678 -17.124 -8.915 6.034 1.00 5.41 N ATOM 21 CA GLY A 678 -17.659 -9.192 4.726 1.00 20.42 C ATOM 22 C GLY A 678 -18.050 -7.983 3.914 1.00 0.03 C ATOM 23 O GLY A 678 -19.009 -8.047 3.144 1.00 50.22 O ATOM 0 H GLY A 678 -17.611 -8.198 6.571 1.00 5.41 H new ATOM 0 HA2 GLY A 678 -16.919 -9.762 4.164 1.00 20.42 H new ATOM 0 HA3 GLY A 678 -18.535 -9.831 4.839 1.00 20.42 H new ATOM 27 N LYS A 679 -17.353 -6.891 4.066 1.00 34.41 N ATOM 28 CA LYS A 679 -17.616 -5.737 3.219 1.00 55.31 C ATOM 29 C LYS A 679 -16.639 -5.770 2.058 1.00 63.34 C ATOM 30 O LYS A 679 -15.789 -6.663 1.996 1.00 5.01 O ATOM 31 CB LYS A 679 -17.489 -4.419 3.999 1.00 34.43 C ATOM 32 CG LYS A 679 -16.084 -4.097 4.492 1.00 73.43 C ATOM 33 CD LYS A 679 -16.078 -2.809 5.285 1.00 73.21 C ATOM 34 CE LYS A 679 -14.696 -2.471 5.791 1.00 5.12 C ATOM 35 NZ LYS A 679 -14.697 -1.234 6.597 1.00 24.23 N ATOM 0 H LYS A 679 -16.609 -6.766 4.753 1.00 34.41 H new ATOM 0 HA LYS A 679 -18.641 -5.786 2.852 1.00 55.31 H new ATOM 0 HB2 LYS A 679 -17.831 -3.603 3.362 1.00 34.43 H new ATOM 0 HB3 LYS A 679 -18.160 -4.456 4.857 1.00 34.43 H new ATOM 0 HG2 LYS A 679 -15.715 -4.914 5.112 1.00 73.43 H new ATOM 0 HG3 LYS A 679 -15.406 -4.010 3.643 1.00 73.43 H new ATOM 0 HD2 LYS A 679 -16.446 -1.995 4.660 1.00 73.21 H new ATOM 0 HD3 LYS A 679 -16.763 -2.898 6.128 1.00 73.21 H new ATOM 0 HE2 LYS A 679 -14.317 -3.297 6.393 1.00 5.12 H new ATOM 0 HE3 LYS A 679 -14.018 -2.354 4.946 1.00 5.12 H new ATOM 0 HZ1 LYS A 679 -13.731 -1.034 6.927 1.00 24.23 H new ATOM 0 HZ2 LYS A 679 -15.035 -0.441 6.015 1.00 24.23 H new ATOM 0 HZ3 LYS A 679 -15.325 -1.355 7.417 1.00 24.23 H new ATOM 49 N LYS A 680 -16.747 -4.843 1.149 1.00 43.30 N ATOM 50 CA LYS A 680 -15.833 -4.798 0.040 1.00 22.15 C ATOM 51 C LYS A 680 -14.950 -3.569 0.256 1.00 73.05 C ATOM 52 O LYS A 680 -13.766 -3.693 0.552 1.00 4.02 O ATOM 53 CB LYS A 680 -16.631 -4.718 -1.281 1.00 73.42 C ATOM 54 CG LYS A 680 -15.896 -5.186 -2.542 1.00 23.52 C ATOM 55 CD LYS A 680 -14.682 -4.358 -2.914 1.00 51.03 C ATOM 56 CE LYS A 680 -14.023 -4.951 -4.147 1.00 13.52 C ATOM 57 NZ LYS A 680 -12.866 -4.178 -4.605 1.00 54.43 N ATOM 0 H LYS A 680 -17.456 -4.110 1.152 1.00 43.30 H new ATOM 0 HA LYS A 680 -15.211 -5.691 -0.023 1.00 22.15 H new ATOM 0 HB2 LYS A 680 -17.537 -5.314 -1.171 1.00 73.42 H new ATOM 0 HB3 LYS A 680 -16.945 -3.685 -1.430 1.00 73.42 H new ATOM 0 HG2 LYS A 680 -15.583 -6.221 -2.400 1.00 23.52 H new ATOM 0 HG3 LYS A 680 -16.595 -5.176 -3.378 1.00 23.52 H new ATOM 0 HD2 LYS A 680 -14.977 -3.327 -3.107 1.00 51.03 H new ATOM 0 HD3 LYS A 680 -13.975 -4.337 -2.085 1.00 51.03 H new ATOM 0 HE2 LYS A 680 -13.708 -5.971 -3.929 1.00 13.52 H new ATOM 0 HE3 LYS A 680 -14.756 -5.009 -4.952 1.00 13.52 H new ATOM 0 HZ1 LYS A 680 -12.458 -4.630 -5.448 1.00 54.43 H new ATOM 0 HZ2 LYS A 680 -13.166 -3.211 -4.842 1.00 54.43 H new ATOM 0 HZ3 LYS A 680 -12.151 -4.143 -3.851 1.00 54.43 H new ATOM 71 N ASP A 681 -15.569 -2.402 0.136 1.00 72.32 N ATOM 72 CA ASP A 681 -14.971 -1.084 0.437 1.00 71.34 C ATOM 73 C ASP A 681 -13.633 -0.796 -0.189 1.00 43.14 C ATOM 74 O ASP A 681 -12.583 -1.129 0.365 1.00 21.13 O ATOM 75 CB ASP A 681 -14.966 -0.756 1.936 1.00 22.13 C ATOM 76 CG ASP A 681 -16.340 -0.443 2.471 1.00 62.22 C ATOM 77 OD1 ASP A 681 -17.142 -1.361 2.664 1.00 45.35 O ATOM 78 OD2 ASP A 681 -16.643 0.752 2.685 1.00 35.34 O ATOM 0 H ASP A 681 -16.535 -2.332 -0.184 1.00 72.32 H new ATOM 0 HA ASP A 681 -15.656 -0.401 -0.065 1.00 71.34 H new ATOM 0 HB2 ASP A 681 -14.551 -1.600 2.486 1.00 22.13 H new ATOM 0 HB3 ASP A 681 -14.309 0.095 2.115 1.00 22.13 H new ATOM 83 N THR A 682 -13.677 -0.137 -1.327 1.00 2.32 N ATOM 84 CA THR A 682 -12.502 0.310 -2.037 1.00 73.50 C ATOM 85 C THR A 682 -11.667 1.242 -1.136 1.00 65.41 C ATOM 86 O THR A 682 -10.427 1.223 -1.168 1.00 45.11 O ATOM 87 CB THR A 682 -12.936 1.048 -3.325 1.00 43.31 C ATOM 88 OG1 THR A 682 -13.690 0.143 -4.149 1.00 12.22 O ATOM 89 CG2 THR A 682 -11.743 1.576 -4.106 1.00 3.54 C ATOM 0 H THR A 682 -14.551 0.107 -1.793 1.00 2.32 H new ATOM 0 HA THR A 682 -11.887 -0.548 -2.308 1.00 73.50 H new ATOM 0 HB THR A 682 -13.546 1.905 -3.038 1.00 43.31 H new ATOM 0 HG1 THR A 682 -13.971 0.603 -4.968 1.00 12.22 H new ATOM 0 HG21 THR A 682 -12.093 2.087 -5.003 1.00 3.54 H new ATOM 0 HG22 THR A 682 -11.182 2.275 -3.485 1.00 3.54 H new ATOM 0 HG23 THR A 682 -11.098 0.745 -4.390 1.00 3.54 H new ATOM 97 N GLU A 683 -12.362 2.016 -0.312 1.00 42.32 N ATOM 98 CA GLU A 683 -11.719 2.910 0.635 1.00 53.01 C ATOM 99 C GLU A 683 -10.896 2.133 1.638 1.00 33.51 C ATOM 100 O GLU A 683 -9.756 2.485 1.914 1.00 40.35 O ATOM 101 CB GLU A 683 -12.742 3.782 1.350 1.00 41.55 C ATOM 102 CG GLU A 683 -13.424 4.780 0.447 1.00 53.03 C ATOM 103 CD GLU A 683 -12.442 5.758 -0.160 1.00 54.15 C ATOM 104 OE1 GLU A 683 -12.118 6.782 0.498 1.00 71.11 O ATOM 105 OE2 GLU A 683 -11.977 5.527 -1.293 1.00 71.25 O ATOM 0 H GLU A 683 -13.381 2.040 -0.283 1.00 42.32 H new ATOM 0 HA GLU A 683 -11.051 3.562 0.072 1.00 53.01 H new ATOM 0 HB2 GLU A 683 -13.497 3.142 1.805 1.00 41.55 H new ATOM 0 HB3 GLU A 683 -12.247 4.317 2.160 1.00 41.55 H new ATOM 0 HG2 GLU A 683 -13.947 4.250 -0.349 1.00 53.03 H new ATOM 0 HG3 GLU A 683 -14.177 5.327 1.014 1.00 53.03 H new ATOM 112 N THR A 684 -11.461 1.059 2.157 1.00 11.31 N ATOM 113 CA THR A 684 -10.772 0.228 3.112 1.00 13.41 C ATOM 114 C THR A 684 -9.578 -0.465 2.446 1.00 24.03 C ATOM 115 O THR A 684 -8.517 -0.609 3.048 1.00 32.34 O ATOM 116 CB THR A 684 -11.746 -0.790 3.744 1.00 71.13 C ATOM 117 OG1 THR A 684 -12.813 -0.062 4.387 1.00 25.11 O ATOM 118 CG2 THR A 684 -11.045 -1.675 4.776 1.00 41.33 C ATOM 0 H THR A 684 -12.404 0.744 1.927 1.00 11.31 H new ATOM 0 HA THR A 684 -10.386 0.854 3.917 1.00 13.41 H new ATOM 0 HB THR A 684 -12.133 -1.438 2.957 1.00 71.13 H new ATOM 0 HG1 THR A 684 -12.730 -0.151 5.359 1.00 25.11 H new ATOM 0 HG21 THR A 684 -11.762 -2.378 5.199 1.00 41.33 H new ATOM 0 HG22 THR A 684 -10.237 -2.226 4.294 1.00 41.33 H new ATOM 0 HG23 THR A 684 -10.635 -1.052 5.571 1.00 41.33 H new ATOM 126 N VAL A 685 -9.753 -0.838 1.189 1.00 32.12 N ATOM 127 CA VAL A 685 -8.694 -1.445 0.405 1.00 24.42 C ATOM 128 C VAL A 685 -7.519 -0.495 0.272 1.00 44.20 C ATOM 129 O VAL A 685 -6.402 -0.845 0.578 1.00 11.31 O ATOM 130 CB VAL A 685 -9.189 -1.849 -0.990 1.00 43.10 C ATOM 131 CG1 VAL A 685 -8.055 -2.426 -1.828 1.00 0.03 C ATOM 132 CG2 VAL A 685 -10.299 -2.854 -0.856 1.00 4.41 C ATOM 0 H VAL A 685 -10.633 -0.728 0.685 1.00 32.12 H new ATOM 0 HA VAL A 685 -8.374 -2.345 0.931 1.00 24.42 H new ATOM 0 HB VAL A 685 -9.562 -0.960 -1.498 1.00 43.10 H new ATOM 0 HG11 VAL A 685 -8.434 -2.704 -2.811 1.00 0.03 H new ATOM 0 HG12 VAL A 685 -7.269 -1.679 -1.940 1.00 0.03 H new ATOM 0 HG13 VAL A 685 -7.649 -3.308 -1.333 1.00 0.03 H new ATOM 0 HG21 VAL A 685 -10.651 -3.141 -1.847 1.00 4.41 H new ATOM 0 HG22 VAL A 685 -9.930 -3.736 -0.332 1.00 4.41 H new ATOM 0 HG23 VAL A 685 -11.122 -2.414 -0.292 1.00 4.41 H new ATOM 142 N TYR A 686 -7.773 0.715 -0.158 1.00 40.01 N ATOM 143 CA TYR A 686 -6.701 1.681 -0.265 1.00 22.33 C ATOM 144 C TYR A 686 -6.129 2.080 1.077 1.00 72.52 C ATOM 145 O TYR A 686 -4.973 2.469 1.167 1.00 65.33 O ATOM 146 CB TYR A 686 -7.056 2.865 -1.138 1.00 53.23 C ATOM 147 CG TYR A 686 -7.044 2.501 -2.594 1.00 44.40 C ATOM 148 CD1 TYR A 686 -5.837 2.324 -3.243 1.00 24.55 C ATOM 149 CD2 TYR A 686 -8.208 2.318 -3.315 1.00 34.31 C ATOM 150 CE1 TYR A 686 -5.779 1.982 -4.570 1.00 63.21 C ATOM 151 CE2 TYR A 686 -8.164 1.973 -4.657 1.00 40.02 C ATOM 152 CZ TYR A 686 -6.940 1.810 -5.276 1.00 32.55 C ATOM 153 OH TYR A 686 -6.880 1.467 -6.613 1.00 4.11 O ATOM 0 H TYR A 686 -8.694 1.054 -0.436 1.00 40.01 H new ATOM 0 HA TYR A 686 -5.892 1.168 -0.786 1.00 22.33 H new ATOM 0 HB2 TYR A 686 -8.043 3.237 -0.864 1.00 53.23 H new ATOM 0 HB3 TYR A 686 -6.349 3.675 -0.959 1.00 53.23 H new ATOM 0 HD1 TYR A 686 -4.918 2.458 -2.692 1.00 24.55 H new ATOM 0 HD2 TYR A 686 -9.163 2.445 -2.828 1.00 34.31 H new ATOM 0 HE1 TYR A 686 -4.823 1.849 -5.055 1.00 63.21 H new ATOM 0 HE2 TYR A 686 -9.079 1.833 -5.214 1.00 40.02 H new ATOM 0 HH TYR A 686 -7.789 1.381 -6.970 1.00 4.11 H new ATOM 163 N SER A 687 -6.917 1.938 2.119 1.00 72.24 N ATOM 164 CA SER A 687 -6.433 2.205 3.460 1.00 32.02 C ATOM 165 C SER A 687 -5.448 1.103 3.883 1.00 41.31 C ATOM 166 O SER A 687 -4.407 1.385 4.494 1.00 42.22 O ATOM 167 CB SER A 687 -7.596 2.330 4.447 1.00 1.32 C ATOM 168 OG SER A 687 -8.482 3.375 4.054 1.00 51.45 O ATOM 0 H SER A 687 -7.891 1.641 2.067 1.00 72.24 H new ATOM 0 HA SER A 687 -5.906 3.159 3.465 1.00 32.02 H new ATOM 0 HB2 SER A 687 -8.139 1.386 4.498 1.00 1.32 H new ATOM 0 HB3 SER A 687 -7.211 2.530 5.447 1.00 1.32 H new ATOM 0 HG SER A 687 -8.971 3.104 3.249 1.00 51.45 H new ATOM 174 N GLU A 688 -5.752 -0.151 3.534 1.00 40.20 N ATOM 175 CA GLU A 688 -4.837 -1.234 3.824 1.00 1.15 C ATOM 176 C GLU A 688 -3.638 -1.198 2.886 1.00 23.40 C ATOM 177 O GLU A 688 -2.546 -1.598 3.260 1.00 70.32 O ATOM 178 CB GLU A 688 -5.509 -2.607 3.864 1.00 32.31 C ATOM 179 CG GLU A 688 -6.209 -3.014 2.602 1.00 23.55 C ATOM 180 CD GLU A 688 -6.760 -4.395 2.683 1.00 73.02 C ATOM 181 OE1 GLU A 688 -7.898 -4.563 3.146 1.00 71.42 O ATOM 182 OE2 GLU A 688 -6.056 -5.345 2.301 1.00 32.11 O ATOM 0 H GLU A 688 -6.611 -0.428 3.059 1.00 40.20 H new ATOM 0 HA GLU A 688 -4.472 -1.072 4.838 1.00 1.15 H new ATOM 0 HB2 GLU A 688 -4.753 -3.357 4.099 1.00 32.31 H new ATOM 0 HB3 GLU A 688 -6.232 -2.616 4.680 1.00 32.31 H new ATOM 0 HG2 GLU A 688 -7.018 -2.314 2.396 1.00 23.55 H new ATOM 0 HG3 GLU A 688 -5.512 -2.951 1.766 1.00 23.55 H new ATOM 189 N VAL A 689 -3.841 -0.689 1.675 1.00 31.53 N ATOM 190 CA VAL A 689 -2.733 -0.464 0.752 1.00 71.10 C ATOM 191 C VAL A 689 -1.803 0.601 1.341 1.00 2.31 C ATOM 192 O VAL A 689 -0.599 0.515 1.228 1.00 15.11 O ATOM 193 CB VAL A 689 -3.222 -0.073 -0.682 1.00 40.13 C ATOM 194 CG1 VAL A 689 -2.059 0.292 -1.591 1.00 22.13 C ATOM 195 CG2 VAL A 689 -3.984 -1.233 -1.293 1.00 65.24 C ATOM 0 H VAL A 689 -4.757 -0.426 1.311 1.00 31.53 H new ATOM 0 HA VAL A 689 -2.184 -1.398 0.633 1.00 71.10 H new ATOM 0 HB VAL A 689 -3.869 0.799 -0.587 1.00 40.13 H new ATOM 0 HG11 VAL A 689 -2.438 0.558 -2.578 1.00 22.13 H new ATOM 0 HG12 VAL A 689 -1.520 1.140 -1.169 1.00 22.13 H new ATOM 0 HG13 VAL A 689 -1.384 -0.560 -1.679 1.00 22.13 H new ATOM 0 HG21 VAL A 689 -4.324 -0.959 -2.292 1.00 65.24 H new ATOM 0 HG22 VAL A 689 -3.331 -2.103 -1.358 1.00 65.24 H new ATOM 0 HG23 VAL A 689 -4.845 -1.471 -0.669 1.00 65.24 H new ATOM 205 N ARG A 690 -2.384 1.579 2.013 1.00 2.42 N ATOM 206 CA ARG A 690 -1.623 2.583 2.728 1.00 73.55 C ATOM 207 C ARG A 690 -0.822 1.978 3.886 1.00 74.54 C ATOM 208 O ARG A 690 0.171 2.542 4.313 1.00 70.54 O ATOM 209 CB ARG A 690 -2.501 3.751 3.167 1.00 72.30 C ATOM 210 CG ARG A 690 -2.906 4.689 2.031 1.00 33.04 C ATOM 211 CD ARG A 690 -1.675 5.329 1.386 1.00 3.24 C ATOM 212 NE ARG A 690 -2.020 6.274 0.318 1.00 4.23 N ATOM 213 CZ ARG A 690 -1.125 6.953 -0.411 1.00 60.11 C ATOM 214 NH1 ARG A 690 0.174 6.787 -0.191 1.00 31.11 N ATOM 215 NH2 ARG A 690 -1.527 7.792 -1.356 1.00 64.41 N ATOM 0 H ARG A 690 -3.395 1.698 2.077 1.00 2.42 H new ATOM 0 HA ARG A 690 -0.891 2.991 2.032 1.00 73.55 H new ATOM 0 HB2 ARG A 690 -3.402 3.357 3.637 1.00 72.30 H new ATOM 0 HB3 ARG A 690 -1.970 4.325 3.926 1.00 72.30 H new ATOM 0 HG2 ARG A 690 -3.469 4.135 1.280 1.00 33.04 H new ATOM 0 HG3 ARG A 690 -3.566 5.467 2.414 1.00 33.04 H new ATOM 0 HD2 ARG A 690 -1.098 5.848 2.151 1.00 3.24 H new ATOM 0 HD3 ARG A 690 -1.035 4.546 0.979 1.00 3.24 H new ATOM 0 HE ARG A 690 -3.009 6.424 0.117 1.00 4.23 H new ATOM 0 HH11 ARG A 690 0.490 6.142 0.533 1.00 31.11 H new ATOM 0 HH12 ARG A 690 0.855 7.304 -0.746 1.00 31.11 H new ATOM 0 HH21 ARG A 690 -2.523 7.923 -1.531 1.00 64.41 H new ATOM 0 HH22 ARG A 690 -0.840 8.306 -1.908 1.00 64.41 H new ATOM 229 N LYS A 691 -1.290 0.868 4.411 1.00 34.50 N ATOM 230 CA LYS A 691 -0.544 0.120 5.416 1.00 73.31 C ATOM 231 C LYS A 691 0.582 -0.668 4.731 1.00 14.03 C ATOM 232 O LYS A 691 1.727 -0.693 5.200 1.00 52.12 O ATOM 233 CB LYS A 691 -1.468 -0.861 6.148 1.00 45.35 C ATOM 234 CG LYS A 691 -2.645 -0.215 6.865 1.00 62.54 C ATOM 235 CD LYS A 691 -3.582 -1.267 7.464 1.00 50.25 C ATOM 236 CE LYS A 691 -2.892 -2.123 8.514 1.00 2.43 C ATOM 237 NZ LYS A 691 -3.778 -3.187 9.033 1.00 31.31 N ATOM 0 H LYS A 691 -2.189 0.456 4.161 1.00 34.50 H new ATOM 0 HA LYS A 691 -0.126 0.822 6.138 1.00 73.31 H new ATOM 0 HB2 LYS A 691 -1.852 -1.583 5.428 1.00 45.35 H new ATOM 0 HB3 LYS A 691 -0.879 -1.419 6.876 1.00 45.35 H new ATOM 0 HG2 LYS A 691 -2.277 0.438 7.656 1.00 62.54 H new ATOM 0 HG3 LYS A 691 -3.199 0.412 6.166 1.00 62.54 H new ATOM 0 HD2 LYS A 691 -4.443 -0.771 7.912 1.00 50.25 H new ATOM 0 HD3 LYS A 691 -3.961 -1.908 6.668 1.00 50.25 H new ATOM 0 HE2 LYS A 691 -1.998 -2.574 8.083 1.00 2.43 H new ATOM 0 HE3 LYS A 691 -2.564 -1.490 9.339 1.00 2.43 H new ATOM 0 HZ1 LYS A 691 -3.268 -3.746 9.746 1.00 31.31 H new ATOM 0 HZ2 LYS A 691 -4.619 -2.757 9.467 1.00 31.31 H new ATOM 0 HZ3 LYS A 691 -4.071 -3.807 8.251 1.00 31.31 H new ATOM 251 N ALA A 692 0.227 -1.288 3.608 1.00 71.20 N ATOM 252 CA ALA A 692 1.109 -2.154 2.835 1.00 35.35 C ATOM 253 C ALA A 692 2.269 -1.411 2.166 1.00 32.02 C ATOM 254 O ALA A 692 3.408 -1.794 2.338 1.00 50.34 O ATOM 255 CB ALA A 692 0.305 -2.924 1.795 1.00 45.24 C ATOM 0 H ALA A 692 -0.704 -1.199 3.202 1.00 71.20 H new ATOM 0 HA ALA A 692 1.561 -2.846 3.546 1.00 35.35 H new ATOM 0 HB1 ALA A 692 0.973 -3.568 1.223 1.00 45.24 H new ATOM 0 HB2 ALA A 692 -0.447 -3.534 2.295 1.00 45.24 H new ATOM 0 HB3 ALA A 692 -0.187 -2.222 1.122 1.00 45.24 H new ATOM 261 N VAL A 693 1.962 -0.349 1.414 1.00 50.41 N ATOM 262 CA VAL A 693 2.975 0.426 0.641 1.00 65.45 C ATOM 263 C VAL A 693 4.263 0.767 1.440 1.00 73.32 C ATOM 264 O VAL A 693 5.355 0.363 1.027 1.00 72.31 O ATOM 265 CB VAL A 693 2.365 1.716 -0.027 1.00 55.13 C ATOM 266 CG1 VAL A 693 3.440 2.582 -0.675 1.00 22.05 C ATOM 267 CG2 VAL A 693 1.342 1.326 -1.074 1.00 71.23 C ATOM 0 H VAL A 693 1.012 0.008 1.315 1.00 50.41 H new ATOM 0 HA VAL A 693 3.285 -0.252 -0.154 1.00 65.45 H new ATOM 0 HB VAL A 693 1.889 2.296 0.763 1.00 55.13 H new ATOM 0 HG11 VAL A 693 2.977 3.461 -1.124 1.00 22.05 H new ATOM 0 HG12 VAL A 693 4.159 2.897 0.082 1.00 22.05 H new ATOM 0 HG13 VAL A 693 3.953 2.008 -1.447 1.00 22.05 H new ATOM 0 HG21 VAL A 693 0.927 2.225 -1.529 1.00 71.23 H new ATOM 0 HG22 VAL A 693 1.821 0.718 -1.842 1.00 71.23 H new ATOM 0 HG23 VAL A 693 0.541 0.754 -0.605 1.00 71.23 H new ATOM 277 N PRO A 694 4.176 1.492 2.588 1.00 75.51 N ATOM 278 CA PRO A 694 5.363 1.847 3.364 1.00 14.30 C ATOM 279 C PRO A 694 6.077 0.619 3.939 1.00 64.34 C ATOM 280 O PRO A 694 7.293 0.622 4.096 1.00 24.33 O ATOM 281 CB PRO A 694 4.823 2.734 4.490 1.00 51.33 C ATOM 282 CG PRO A 694 3.387 2.381 4.590 1.00 11.21 C ATOM 283 CD PRO A 694 2.952 2.028 3.203 1.00 31.23 C ATOM 0 HA PRO A 694 6.110 2.344 2.745 1.00 14.30 H new ATOM 0 HB2 PRO A 694 5.344 2.544 5.428 1.00 51.33 H new ATOM 0 HB3 PRO A 694 4.956 3.791 4.260 1.00 51.33 H new ATOM 0 HG2 PRO A 694 3.238 1.543 5.271 1.00 11.21 H new ATOM 0 HG3 PRO A 694 2.806 3.217 4.980 1.00 11.21 H new ATOM 0 HD2 PRO A 694 2.149 1.291 3.209 1.00 31.23 H new ATOM 0 HD3 PRO A 694 2.580 2.900 2.664 1.00 31.23 H new ATOM 291 N ASP A 695 5.322 -0.423 4.226 1.00 41.03 N ATOM 292 CA ASP A 695 5.881 -1.661 4.775 1.00 50.13 C ATOM 293 C ASP A 695 6.586 -2.438 3.672 1.00 44.25 C ATOM 294 O ASP A 695 7.631 -3.042 3.881 1.00 54.34 O ATOM 295 CB ASP A 695 4.774 -2.514 5.401 1.00 0.14 C ATOM 296 CG ASP A 695 5.277 -3.790 6.042 1.00 51.14 C ATOM 297 OD1 ASP A 695 5.674 -3.754 7.227 1.00 31.31 O ATOM 298 OD2 ASP A 695 5.239 -4.853 5.394 1.00 21.05 O ATOM 0 H ASP A 695 4.311 -0.445 4.090 1.00 41.03 H new ATOM 0 HA ASP A 695 6.603 -1.411 5.552 1.00 50.13 H new ATOM 0 HB2 ASP A 695 4.252 -1.922 6.153 1.00 0.14 H new ATOM 0 HB3 ASP A 695 4.044 -2.767 4.632 1.00 0.14 H new ATOM 303 N ALA A 696 6.008 -2.397 2.500 1.00 4.42 N ATOM 304 CA ALA A 696 6.565 -3.043 1.354 1.00 45.43 C ATOM 305 C ALA A 696 7.838 -2.357 0.925 1.00 73.41 C ATOM 306 O ALA A 696 8.862 -3.013 0.733 1.00 42.33 O ATOM 307 CB ALA A 696 5.560 -3.084 0.212 1.00 11.32 C ATOM 0 H ALA A 696 5.131 -1.909 2.319 1.00 4.42 H new ATOM 0 HA ALA A 696 6.806 -4.071 1.626 1.00 45.43 H new ATOM 0 HB1 ALA A 696 6.008 -3.581 -0.649 1.00 11.32 H new ATOM 0 HB2 ALA A 696 4.673 -3.634 0.527 1.00 11.32 H new ATOM 0 HB3 ALA A 696 5.278 -2.067 -0.062 1.00 11.32 H new ATOM 313 N VAL A 697 7.793 -1.037 0.815 1.00 15.33 N ATOM 314 CA VAL A 697 8.944 -0.278 0.359 1.00 52.34 C ATOM 315 C VAL A 697 10.141 -0.413 1.319 1.00 10.41 C ATOM 316 O VAL A 697 11.282 -0.583 0.876 1.00 12.05 O ATOM 317 CB VAL A 697 8.616 1.229 0.097 1.00 0.21 C ATOM 318 CG1 VAL A 697 8.223 1.963 1.361 1.00 43.30 C ATOM 319 CG2 VAL A 697 9.780 1.902 -0.564 1.00 11.21 C ATOM 0 H VAL A 697 6.973 -0.472 1.035 1.00 15.33 H new ATOM 0 HA VAL A 697 9.224 -0.717 -0.599 1.00 52.34 H new ATOM 0 HB VAL A 697 7.754 1.264 -0.569 1.00 0.21 H new ATOM 0 HG11 VAL A 697 8.006 3.005 1.124 1.00 43.30 H new ATOM 0 HG12 VAL A 697 7.337 1.496 1.792 1.00 43.30 H new ATOM 0 HG13 VAL A 697 9.043 1.917 2.078 1.00 43.30 H new ATOM 0 HG21 VAL A 697 9.541 2.951 -0.742 1.00 11.21 H new ATOM 0 HG22 VAL A 697 10.655 1.834 0.083 1.00 11.21 H new ATOM 0 HG23 VAL A 697 9.992 1.412 -1.514 1.00 11.21 H new ATOM 329 N GLU A 698 9.865 -0.378 2.623 1.00 1.34 N ATOM 330 CA GLU A 698 10.910 -0.480 3.644 1.00 24.34 C ATOM 331 C GLU A 698 11.644 -1.817 3.549 1.00 20.42 C ATOM 332 O GLU A 698 12.839 -1.919 3.847 1.00 14.54 O ATOM 333 CB GLU A 698 10.344 -0.174 5.069 1.00 43.31 C ATOM 334 CG GLU A 698 9.311 -1.140 5.642 1.00 31.51 C ATOM 335 CD GLU A 698 9.895 -2.298 6.419 1.00 43.41 C ATOM 336 OE1 GLU A 698 10.224 -3.335 5.836 1.00 10.23 O ATOM 337 OE2 GLU A 698 10.013 -2.177 7.654 1.00 53.51 O ATOM 0 H GLU A 698 8.922 -0.279 2.999 1.00 1.34 H new ATOM 0 HA GLU A 698 11.660 0.288 3.452 1.00 24.34 H new ATOM 0 HB2 GLU A 698 11.184 -0.131 5.762 1.00 43.31 H new ATOM 0 HB3 GLU A 698 9.898 0.820 5.047 1.00 43.31 H new ATOM 0 HG2 GLU A 698 8.637 -0.585 6.294 1.00 31.51 H new ATOM 0 HG3 GLU A 698 8.709 -1.535 4.824 1.00 31.51 H new ATOM 344 N SER A 699 10.925 -2.826 3.093 1.00 63.02 N ATOM 345 CA SER A 699 11.471 -4.141 2.895 1.00 4.44 C ATOM 346 C SER A 699 12.419 -4.157 1.685 1.00 72.42 C ATOM 347 O SER A 699 13.321 -4.961 1.625 1.00 31.23 O ATOM 348 CB SER A 699 10.327 -5.160 2.729 1.00 71.54 C ATOM 349 OG SER A 699 10.807 -6.497 2.594 1.00 42.13 O ATOM 0 H SER A 699 9.938 -2.747 2.850 1.00 63.02 H new ATOM 0 HA SER A 699 12.056 -4.422 3.771 1.00 4.44 H new ATOM 0 HB2 SER A 699 9.663 -5.100 3.591 1.00 71.54 H new ATOM 0 HB3 SER A 699 9.735 -4.899 1.852 1.00 71.54 H new ATOM 0 HG SER A 699 10.048 -7.108 2.493 1.00 42.13 H new ATOM 355 N ARG A 700 12.178 -3.279 0.715 1.00 30.41 N ATOM 356 CA ARG A 700 13.028 -3.189 -0.479 1.00 43.22 C ATOM 357 C ARG A 700 14.302 -2.390 -0.252 1.00 71.03 C ATOM 358 O ARG A 700 15.309 -2.624 -0.928 1.00 45.30 O ATOM 359 CB ARG A 700 12.281 -2.701 -1.722 1.00 45.34 C ATOM 360 CG ARG A 700 11.390 -3.755 -2.413 1.00 41.11 C ATOM 361 CD ARG A 700 10.306 -4.283 -1.505 1.00 1.24 C ATOM 362 NE ARG A 700 9.510 -5.344 -2.118 1.00 21.51 N ATOM 363 CZ ARG A 700 8.498 -5.979 -1.520 1.00 34.53 C ATOM 364 NH1 ARG A 700 8.112 -5.616 -0.302 1.00 70.32 N ATOM 365 NH2 ARG A 700 7.867 -6.963 -2.147 1.00 61.33 N ATOM 0 H ARG A 700 11.402 -2.617 0.728 1.00 30.41 H new ATOM 0 HA ARG A 700 13.329 -4.218 -0.676 1.00 43.22 H new ATOM 0 HB2 ARG A 700 11.659 -1.851 -1.441 1.00 45.34 H new ATOM 0 HB3 ARG A 700 13.011 -2.337 -2.445 1.00 45.34 H new ATOM 0 HG2 ARG A 700 10.934 -3.315 -3.300 1.00 41.11 H new ATOM 0 HG3 ARG A 700 12.011 -4.584 -2.752 1.00 41.11 H new ATOM 0 HD2 ARG A 700 10.760 -4.661 -0.589 1.00 1.24 H new ATOM 0 HD3 ARG A 700 9.648 -3.462 -1.220 1.00 1.24 H new ATOM 0 HE ARG A 700 9.744 -5.620 -3.072 1.00 21.51 H new ATOM 0 HH11 ARG A 700 8.588 -4.852 0.177 1.00 70.32 H new ATOM 0 HH12 ARG A 700 7.339 -6.101 0.154 1.00 70.32 H new ATOM 0 HH21 ARG A 700 8.154 -7.236 -3.087 1.00 61.33 H new ATOM 0 HH22 ARG A 700 7.095 -7.447 -1.689 1.00 61.33 H new ATOM 379 N TYR A 701 14.259 -1.423 0.665 1.00 22.23 N ATOM 380 CA TYR A 701 15.471 -0.663 1.001 1.00 64.41 C ATOM 381 C TYR A 701 16.463 -1.564 1.695 1.00 20.02 C ATOM 382 O TYR A 701 17.672 -1.501 1.450 1.00 75.43 O ATOM 383 CB TYR A 701 15.194 0.508 1.958 1.00 75.30 C ATOM 384 CG TYR A 701 14.451 1.715 1.422 1.00 71.00 C ATOM 385 CD1 TYR A 701 15.136 2.759 0.820 1.00 24.55 C ATOM 386 CD2 TYR A 701 13.096 1.838 1.575 1.00 64.24 C ATOM 387 CE1 TYR A 701 14.471 3.889 0.385 1.00 34.53 C ATOM 388 CE2 TYR A 701 12.426 2.943 1.144 1.00 51.31 C ATOM 389 CZ TYR A 701 13.112 3.974 0.552 1.00 3.03 C ATOM 390 OH TYR A 701 12.430 5.096 0.135 1.00 64.34 O ATOM 0 H TYR A 701 13.422 -1.149 1.179 1.00 22.23 H new ATOM 0 HA TYR A 701 15.855 -0.274 0.058 1.00 64.41 H new ATOM 0 HB2 TYR A 701 14.628 0.119 2.804 1.00 75.30 H new ATOM 0 HB3 TYR A 701 16.152 0.853 2.347 1.00 75.30 H new ATOM 0 HD1 TYR A 701 16.206 2.688 0.689 1.00 24.55 H new ATOM 0 HD2 TYR A 701 12.545 1.039 2.049 1.00 64.24 H new ATOM 0 HE1 TYR A 701 15.015 4.697 -0.082 1.00 34.53 H new ATOM 0 HE2 TYR A 701 11.355 3.008 1.268 1.00 51.31 H new ATOM 0 HH TYR A 701 11.475 4.989 0.328 1.00 64.34 H new ATOM 400 N SER A 702 15.943 -2.407 2.532 1.00 62.50 N ATOM 401 CA SER A 702 16.748 -3.235 3.378 1.00 52.44 C ATOM 402 C SER A 702 16.877 -4.651 2.825 1.00 14.43 C ATOM 403 O SER A 702 16.036 -5.090 2.049 1.00 62.52 O ATOM 404 CB SER A 702 16.123 -3.260 4.772 1.00 2.12 C ATOM 405 OG SER A 702 15.998 -1.934 5.291 1.00 33.13 O ATOM 0 H SER A 702 14.939 -2.542 2.649 1.00 62.50 H new ATOM 0 HA SER A 702 17.755 -2.819 3.425 1.00 52.44 H new ATOM 0 HB2 SER A 702 15.142 -3.733 4.728 1.00 2.12 H new ATOM 0 HB3 SER A 702 16.738 -3.862 5.441 1.00 2.12 H new ATOM 0 HG SER A 702 15.594 -1.969 6.183 1.00 33.13 H new ATOM 411 N ARG A 703 17.957 -5.333 3.227 1.00 22.13 N ATOM 412 CA ARG A 703 18.236 -6.726 2.895 1.00 0.31 C ATOM 413 C ARG A 703 18.446 -6.959 1.396 1.00 31.12 C ATOM 414 O ARG A 703 17.503 -6.894 0.595 1.00 20.01 O ATOM 415 CB ARG A 703 17.127 -7.643 3.399 1.00 44.41 C ATOM 416 CG ARG A 703 17.456 -9.112 3.267 1.00 75.50 C ATOM 417 CD ARG A 703 16.243 -9.971 3.549 1.00 33.31 C ATOM 418 NE ARG A 703 15.219 -9.801 2.510 1.00 0.22 N ATOM 419 CZ ARG A 703 13.898 -9.869 2.687 1.00 20.41 C ATOM 420 NH1 ARG A 703 13.368 -10.003 3.908 1.00 53.54 N ATOM 421 NH2 ARG A 703 13.108 -9.778 1.632 1.00 40.23 N ATOM 0 H ARG A 703 18.680 -4.912 3.810 1.00 22.13 H new ATOM 0 HA ARG A 703 19.172 -6.967 3.399 1.00 0.31 H new ATOM 0 HB2 ARG A 703 16.926 -7.416 4.446 1.00 44.41 H new ATOM 0 HB3 ARG A 703 16.212 -7.432 2.846 1.00 44.41 H new ATOM 0 HG2 ARG A 703 17.824 -9.316 2.261 1.00 75.50 H new ATOM 0 HG3 ARG A 703 18.258 -9.372 3.958 1.00 75.50 H new ATOM 0 HD2 ARG A 703 16.540 -11.018 3.603 1.00 33.31 H new ATOM 0 HD3 ARG A 703 15.826 -9.708 4.521 1.00 33.31 H new ATOM 0 HE ARG A 703 15.549 -9.613 1.563 1.00 0.22 H new ATOM 0 HH11 ARG A 703 13.976 -10.055 4.725 1.00 53.54 H new ATOM 0 HH12 ARG A 703 12.356 -10.053 4.022 1.00 53.54 H new ATOM 0 HH21 ARG A 703 13.510 -9.658 0.702 1.00 40.23 H new ATOM 0 HH22 ARG A 703 12.096 -9.828 1.747 1.00 40.23 H new ATOM 435 N THR A 704 19.655 -7.236 1.018 1.00 43.42 N ATOM 436 CA THR A 704 19.927 -7.602 -0.328 1.00 30.20 C ATOM 437 C THR A 704 19.629 -9.083 -0.515 1.00 52.52 C ATOM 438 O THR A 704 20.167 -9.930 0.209 1.00 41.25 O ATOM 439 CB THR A 704 21.367 -7.245 -0.739 1.00 44.32 C ATOM 440 OG1 THR A 704 22.291 -7.665 0.282 1.00 14.43 O ATOM 441 CG2 THR A 704 21.502 -5.756 -0.983 1.00 12.22 C ATOM 0 H THR A 704 20.471 -7.214 1.630 1.00 43.42 H new ATOM 0 HA THR A 704 19.277 -7.029 -0.989 1.00 30.20 H new ATOM 0 HB THR A 704 21.600 -7.768 -1.667 1.00 44.32 H new ATOM 0 HG1 THR A 704 21.997 -8.522 0.657 1.00 14.43 H new ATOM 0 HG21 THR A 704 22.527 -5.526 -1.272 1.00 12.22 H new ATOM 0 HG22 THR A 704 20.824 -5.455 -1.781 1.00 12.22 H new ATOM 0 HG23 THR A 704 21.252 -5.214 -0.071 1.00 12.22 H new ATOM 449 N GLU A 705 18.746 -9.378 -1.455 1.00 72.44 N ATOM 450 CA GLU A 705 18.277 -10.731 -1.716 1.00 43.10 C ATOM 451 C GLU A 705 19.432 -11.662 -2.062 1.00 52.02 C ATOM 452 O GLU A 705 19.942 -11.669 -3.194 1.00 11.24 O ATOM 453 CB GLU A 705 17.232 -10.720 -2.828 1.00 62.12 C ATOM 454 CG GLU A 705 15.987 -9.894 -2.501 1.00 53.12 C ATOM 455 CD GLU A 705 15.181 -10.463 -1.355 1.00 33.14 C ATOM 456 OE1 GLU A 705 15.509 -10.209 -0.184 1.00 41.44 O ATOM 457 OE2 GLU A 705 14.197 -11.183 -1.621 1.00 70.32 O ATOM 0 H GLU A 705 18.329 -8.676 -2.067 1.00 72.44 H new ATOM 0 HA GLU A 705 17.813 -11.112 -0.806 1.00 43.10 H new ATOM 0 HB2 GLU A 705 17.688 -10.328 -3.737 1.00 62.12 H new ATOM 0 HB3 GLU A 705 16.930 -11.746 -3.040 1.00 62.12 H new ATOM 0 HG2 GLU A 705 16.288 -8.876 -2.255 1.00 53.12 H new ATOM 0 HG3 GLU A 705 15.355 -9.834 -3.387 1.00 53.12 H new ATOM 464 N GLY A 706 19.854 -12.409 -1.078 1.00 2.42 N ATOM 465 CA GLY A 706 20.961 -13.312 -1.221 1.00 5.53 C ATOM 466 C GLY A 706 21.725 -13.431 0.078 1.00 2.30 C ATOM 467 O GLY A 706 22.282 -14.491 0.392 1.00 41.55 O ATOM 0 H GLY A 706 19.435 -12.407 -0.148 1.00 2.42 H new ATOM 0 HA2 GLY A 706 20.599 -14.294 -1.527 1.00 5.53 H new ATOM 0 HA3 GLY A 706 21.626 -12.958 -2.009 1.00 5.53 H new ATOM 471 N SER A 707 21.737 -12.357 0.839 1.00 32.11 N ATOM 472 CA SER A 707 22.421 -12.318 2.107 1.00 40.11 C ATOM 473 C SER A 707 21.448 -11.798 3.175 1.00 15.44 C ATOM 474 O SER A 707 20.400 -11.228 2.843 1.00 71.21 O ATOM 475 CB SER A 707 23.668 -11.422 1.997 1.00 4.41 C ATOM 476 OG SER A 707 24.420 -11.414 3.198 1.00 70.45 O ATOM 0 H SER A 707 21.270 -11.485 0.591 1.00 32.11 H new ATOM 0 HA SER A 707 22.754 -13.316 2.393 1.00 40.11 H new ATOM 0 HB2 SER A 707 24.296 -11.772 1.178 1.00 4.41 H new ATOM 0 HB3 SER A 707 23.364 -10.404 1.752 1.00 4.41 H new ATOM 0 HG SER A 707 25.204 -10.836 3.089 1.00 70.45 H new ATOM 482 N LEU A 708 21.765 -11.994 4.431 1.00 51.54 N ATOM 483 CA LEU A 708 20.880 -11.577 5.497 1.00 42.42 C ATOM 484 C LEU A 708 21.450 -10.434 6.303 1.00 23.04 C ATOM 485 O LEU A 708 22.367 -10.618 7.110 1.00 21.25 O ATOM 486 CB LEU A 708 20.531 -12.733 6.422 1.00 75.43 C ATOM 487 CG LEU A 708 19.758 -13.894 5.813 1.00 65.23 C ATOM 488 CD1 LEU A 708 19.559 -14.972 6.854 1.00 73.02 C ATOM 489 CD2 LEU A 708 18.409 -13.425 5.273 1.00 65.24 C ATOM 0 H LEU A 708 22.628 -12.439 4.743 1.00 51.54 H new ATOM 0 HA LEU A 708 19.969 -11.228 5.011 1.00 42.42 H new ATOM 0 HB2 LEU A 708 21.458 -13.125 6.840 1.00 75.43 H new ATOM 0 HB3 LEU A 708 19.949 -12.337 7.254 1.00 75.43 H new ATOM 0 HG LEU A 708 20.333 -14.298 4.980 1.00 65.23 H new ATOM 0 HD11 LEU A 708 19.005 -15.803 6.416 1.00 73.02 H new ATOM 0 HD12 LEU A 708 20.530 -15.326 7.201 1.00 73.02 H new ATOM 0 HD13 LEU A 708 18.998 -14.566 7.696 1.00 73.02 H new ATOM 0 HD21 LEU A 708 17.875 -14.272 4.843 1.00 65.24 H new ATOM 0 HD22 LEU A 708 17.820 -12.999 6.085 1.00 65.24 H new ATOM 0 HD23 LEU A 708 18.568 -12.668 4.505 1.00 65.24 H new ATOM 501 N ASP A 709 20.925 -9.266 6.053 1.00 15.12 N ATOM 502 CA ASP A 709 21.242 -8.062 6.802 1.00 14.11 C ATOM 503 C ASP A 709 20.161 -7.053 6.526 1.00 4.45 C ATOM 504 O ASP A 709 20.028 -6.563 5.410 1.00 64.11 O ATOM 505 CB ASP A 709 22.610 -7.484 6.439 1.00 31.25 C ATOM 506 CG ASP A 709 22.949 -6.253 7.256 1.00 64.13 C ATOM 507 OD1 ASP A 709 23.455 -6.400 8.389 1.00 35.31 O ATOM 508 OD2 ASP A 709 22.732 -5.115 6.777 1.00 25.31 O ATOM 0 H ASP A 709 20.247 -9.112 5.306 1.00 15.12 H new ATOM 0 HA ASP A 709 21.290 -8.311 7.862 1.00 14.11 H new ATOM 0 HB2 ASP A 709 23.376 -8.243 6.595 1.00 31.25 H new ATOM 0 HB3 ASP A 709 22.625 -7.230 5.379 1.00 31.25 H new ATOM 513 N GLY A 710 19.374 -6.782 7.515 1.00 74.52 N ATOM 514 CA GLY A 710 18.250 -5.909 7.342 1.00 41.42 C ATOM 515 C GLY A 710 16.972 -6.685 7.513 1.00 2.12 C ATOM 516 O GLY A 710 16.040 -6.577 6.712 1.00 3.32 O ATOM 0 H GLY A 710 19.486 -7.153 8.458 1.00 74.52 H new ATOM 0 HA2 GLY A 710 18.293 -5.097 8.068 1.00 41.42 H new ATOM 0 HA3 GLY A 710 18.280 -5.454 6.352 1.00 41.42 H new ATOM 520 N THR A 711 16.949 -7.504 8.524 1.00 0.10 N ATOM 521 CA THR A 711 15.836 -8.339 8.841 1.00 4.10 C ATOM 522 C THR A 711 15.814 -8.543 10.358 1.00 33.21 C ATOM 523 O THR A 711 16.571 -9.398 10.863 1.00 38.77 O ATOM 524 CB THR A 711 15.942 -9.703 8.096 1.00 60.40 C ATOM 525 OG1 THR A 711 16.008 -9.459 6.671 1.00 11.43 O ATOM 526 CG2 THR A 711 14.738 -10.594 8.395 1.00 21.31 C ATOM 527 OXT THR A 711 15.074 -7.812 11.043 1.00 38.77 O ATOM 0 H THR A 711 17.732 -7.610 9.169 1.00 0.10 H new ATOM 0 HA THR A 711 14.908 -7.867 8.518 1.00 4.10 H new ATOM 0 HB THR A 711 16.841 -10.214 8.440 1.00 60.40 H new ATOM 0 HG1 THR A 711 15.198 -8.989 6.382 1.00 11.43 H new ATOM 0 HG21 THR A 711 14.842 -11.538 7.860 1.00 21.31 H new ATOM 0 HG22 THR A 711 14.686 -10.788 9.466 1.00 21.31 H new ATOM 0 HG23 THR A 711 13.825 -10.093 8.072 1.00 21.31 H new TER 535 THR A 711