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 Single : A 679 LYS NZ :NH3+ 161:sc= -0.0387 (180deg=-0.312) USER MOD Single : A 680 LYS NZ :NH3+ -162:sc= 1.14 (180deg=0.975) USER MOD Single : A 682 THR OG1 : rot 180:sc= 0 USER MOD Single : A 684 THR OG1 : rot 56:sc= 0.112 USER MOD Single : A 686 TYR OH : rot 180:sc= 0 USER MOD Single : A 687 SER OG : rot 75:sc= 1.28 USER MOD Single : A 691 LYS NZ :NH3+ -165:sc= -0.0353 (180deg=-0.252) 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 35:sc= 1.29 USER MOD Single : A 704 THR OG1 : rot 50:sc= 0.00204 USER MOD Single : A 707 SER OG : rot 180:sc= 0 USER MOD Single : A 711 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 677 -13.990 -14.051 3.216 1.00 4.14 N ATOM 2 CA LEU A 677 -13.456 -12.847 3.861 1.00 41.20 C ATOM 3 C LEU A 677 -14.537 -12.147 4.673 1.00 61.40 C ATOM 4 O LEU A 677 -14.350 -11.839 5.862 1.00 71.32 O ATOM 5 CB LEU A 677 -12.882 -11.877 2.817 1.00 73.35 C ATOM 6 CG LEU A 677 -12.304 -10.564 3.367 1.00 62.54 C ATOM 7 CD1 LEU A 677 -11.133 -10.831 4.292 1.00 23.30 C ATOM 8 CD2 LEU A 677 -11.889 -9.642 2.243 1.00 23.41 C ATOM 0 HA LEU A 677 -12.654 -13.156 4.532 1.00 41.20 H new ATOM 0 HB2 LEU A 677 -12.098 -12.393 2.263 1.00 73.35 H new ATOM 0 HB3 LEU A 677 -13.669 -11.634 2.104 1.00 73.35 H new ATOM 0 HG LEU A 677 -13.089 -10.072 3.942 1.00 62.54 H new ATOM 0 HD11 LEU A 677 -10.743 -9.885 4.667 1.00 23.30 H new ATOM 0 HD12 LEU A 677 -11.464 -11.445 5.130 1.00 23.30 H new ATOM 0 HD13 LEU A 677 -10.349 -11.355 3.745 1.00 23.30 H new ATOM 0 HD21 LEU A 677 -11.483 -8.720 2.660 1.00 23.41 H new ATOM 0 HD22 LEU A 677 -11.128 -10.130 1.634 1.00 23.41 H new ATOM 0 HD23 LEU A 677 -12.756 -9.410 1.624 1.00 23.41 H new ATOM 20 N GLY A 678 -15.640 -11.877 4.032 1.00 44.00 N ATOM 21 CA GLY A 678 -16.721 -11.222 4.660 1.00 3.34 C ATOM 22 C GLY A 678 -17.127 -10.032 3.860 1.00 12.43 C ATOM 23 O GLY A 678 -17.404 -10.143 2.665 1.00 20.21 O ATOM 0 H GLY A 678 -15.802 -12.113 3.053 1.00 44.00 H new ATOM 0 HA2 GLY A 678 -17.563 -11.907 4.762 1.00 3.34 H new ATOM 0 HA3 GLY A 678 -16.436 -10.915 5.666 1.00 3.34 H new ATOM 27 N LYS A 679 -17.115 -8.905 4.478 1.00 53.22 N ATOM 28 CA LYS A 679 -17.499 -7.681 3.835 1.00 52.11 C ATOM 29 C LYS A 679 -16.587 -6.603 4.363 1.00 63.31 C ATOM 30 O LYS A 679 -16.806 -6.062 5.453 1.00 30.24 O ATOM 31 CB LYS A 679 -18.989 -7.375 4.153 1.00 54.32 C ATOM 32 CG LYS A 679 -19.769 -6.303 3.305 1.00 22.11 C ATOM 33 CD LYS A 679 -19.290 -4.838 3.418 1.00 2.20 C ATOM 34 CE LYS A 679 -18.131 -4.499 2.484 1.00 74.22 C ATOM 35 NZ LYS A 679 -18.507 -4.600 1.053 1.00 73.43 N ATOM 0 H LYS A 679 -16.837 -8.796 5.453 1.00 53.22 H new ATOM 0 HA LYS A 679 -17.406 -7.745 2.751 1.00 52.11 H new ATOM 0 HB2 LYS A 679 -19.537 -8.314 4.073 1.00 54.32 H new ATOM 0 HB3 LYS A 679 -19.041 -7.064 5.196 1.00 54.32 H new ATOM 0 HG2 LYS A 679 -19.717 -6.597 2.257 1.00 22.11 H new ATOM 0 HG3 LYS A 679 -20.819 -6.340 3.595 1.00 22.11 H new ATOM 0 HD2 LYS A 679 -20.126 -4.174 3.201 1.00 2.20 H new ATOM 0 HD3 LYS A 679 -18.986 -4.642 4.446 1.00 2.20 H new ATOM 0 HE2 LYS A 679 -17.783 -3.488 2.694 1.00 74.22 H new ATOM 0 HE3 LYS A 679 -17.297 -5.172 2.686 1.00 74.22 H new ATOM 0 HZ1 LYS A 679 -17.824 -4.068 0.476 1.00 73.43 H new ATOM 0 HZ2 LYS A 679 -18.502 -5.599 0.762 1.00 73.43 H new ATOM 0 HZ3 LYS A 679 -19.459 -4.204 0.915 1.00 73.43 H new ATOM 49 N LYS A 680 -15.539 -6.343 3.639 1.00 0.32 N ATOM 50 CA LYS A 680 -14.616 -5.313 4.012 1.00 21.45 C ATOM 51 C LYS A 680 -14.735 -4.167 3.036 1.00 64.45 C ATOM 52 O LYS A 680 -14.753 -4.381 1.823 1.00 35.42 O ATOM 53 CB LYS A 680 -13.183 -5.850 4.065 1.00 22.02 C ATOM 54 CG LYS A 680 -12.153 -4.816 4.514 1.00 70.23 C ATOM 55 CD LYS A 680 -10.748 -5.397 4.582 1.00 73.42 C ATOM 56 CE LYS A 680 -10.284 -5.910 3.230 1.00 25.42 C ATOM 57 NZ LYS A 680 -8.907 -6.421 3.277 1.00 12.23 N ATOM 0 H LYS A 680 -15.301 -6.836 2.778 1.00 0.32 H new ATOM 0 HA LYS A 680 -14.860 -4.956 5.013 1.00 21.45 H new ATOM 0 HB2 LYS A 680 -13.149 -6.702 4.745 1.00 22.02 H new ATOM 0 HB3 LYS A 680 -12.907 -6.219 3.077 1.00 22.02 H new ATOM 0 HG2 LYS A 680 -12.163 -3.972 3.824 1.00 70.23 H new ATOM 0 HG3 LYS A 680 -12.432 -4.429 5.494 1.00 70.23 H new ATOM 0 HD2 LYS A 680 -10.056 -4.634 4.938 1.00 73.42 H new ATOM 0 HD3 LYS A 680 -10.726 -6.211 5.307 1.00 73.42 H new ATOM 0 HE2 LYS A 680 -10.953 -6.702 2.894 1.00 25.42 H new ATOM 0 HE3 LYS A 680 -10.347 -5.106 2.496 1.00 25.42 H new ATOM 0 HZ1 LYS A 680 -8.523 -6.474 2.312 1.00 12.23 H new ATOM 0 HZ2 LYS A 680 -8.319 -5.782 3.849 1.00 12.23 H new ATOM 0 HZ3 LYS A 680 -8.903 -7.369 3.704 1.00 12.23 H new ATOM 71 N ASP A 681 -14.866 -2.980 3.567 1.00 42.24 N ATOM 72 CA ASP A 681 -15.005 -1.758 2.783 1.00 4.45 C ATOM 73 C ASP A 681 -13.842 -1.578 1.793 1.00 53.40 C ATOM 74 O ASP A 681 -12.673 -1.744 2.149 1.00 51.11 O ATOM 75 CB ASP A 681 -15.126 -0.564 3.731 1.00 14.22 C ATOM 76 CG ASP A 681 -15.092 0.759 3.031 1.00 60.43 C ATOM 77 OD1 ASP A 681 -16.145 1.233 2.553 1.00 74.24 O ATOM 78 OD2 ASP A 681 -14.003 1.343 2.950 1.00 20.50 O ATOM 0 H ASP A 681 -14.881 -2.821 4.574 1.00 42.24 H new ATOM 0 HA ASP A 681 -15.911 -1.828 2.181 1.00 4.45 H new ATOM 0 HB2 ASP A 681 -16.058 -0.647 4.290 1.00 14.22 H new ATOM 0 HB3 ASP A 681 -14.314 -0.603 4.457 1.00 14.22 H new ATOM 83 N THR A 682 -14.179 -1.248 0.557 1.00 24.23 N ATOM 84 CA THR A 682 -13.215 -1.125 -0.514 1.00 11.05 C ATOM 85 C THR A 682 -12.278 0.081 -0.321 1.00 35.13 C ATOM 86 O THR A 682 -11.100 0.030 -0.688 1.00 51.15 O ATOM 87 CB THR A 682 -13.936 -1.062 -1.872 1.00 3.02 C ATOM 88 OG1 THR A 682 -14.766 -2.233 -2.008 1.00 74.10 O ATOM 89 CG2 THR A 682 -12.938 -1.034 -3.014 1.00 73.45 C ATOM 0 H THR A 682 -15.139 -1.057 0.271 1.00 24.23 H new ATOM 0 HA THR A 682 -12.583 -2.013 -0.494 1.00 11.05 H new ATOM 0 HB THR A 682 -14.536 -0.153 -1.910 1.00 3.02 H new ATOM 0 HG1 THR A 682 -15.233 -2.205 -2.869 1.00 74.10 H new ATOM 0 HG21 THR A 682 -13.472 -0.990 -3.963 1.00 73.45 H new ATOM 0 HG22 THR A 682 -12.298 -0.157 -2.916 1.00 73.45 H new ATOM 0 HG23 THR A 682 -12.326 -1.935 -2.984 1.00 73.45 H new ATOM 97 N GLU A 683 -12.777 1.138 0.288 1.00 14.21 N ATOM 98 CA GLU A 683 -11.945 2.304 0.550 1.00 71.11 C ATOM 99 C GLU A 683 -10.909 1.935 1.600 1.00 62.40 C ATOM 100 O GLU A 683 -9.771 2.405 1.571 1.00 70.41 O ATOM 101 CB GLU A 683 -12.795 3.493 0.998 1.00 30.40 C ATOM 102 CG GLU A 683 -13.820 3.926 -0.037 1.00 34.51 C ATOM 103 CD GLU A 683 -14.641 5.104 0.411 1.00 40.11 C ATOM 104 OE1 GLU A 683 -14.149 6.246 0.324 1.00 14.55 O ATOM 105 OE2 GLU A 683 -15.794 4.914 0.851 1.00 22.13 O ATOM 0 H GLU A 683 -13.742 1.218 0.609 1.00 14.21 H new ATOM 0 HA GLU A 683 -11.437 2.607 -0.366 1.00 71.11 H new ATOM 0 HB2 GLU A 683 -13.311 3.234 1.923 1.00 30.40 H new ATOM 0 HB3 GLU A 683 -12.140 4.334 1.224 1.00 30.40 H new ATOM 0 HG2 GLU A 683 -13.308 4.178 -0.965 1.00 34.51 H new ATOM 0 HG3 GLU A 683 -14.483 3.089 -0.256 1.00 34.51 H new ATOM 112 N THR A 684 -11.310 1.052 2.498 1.00 2.42 N ATOM 113 CA THR A 684 -10.437 0.503 3.514 1.00 75.44 C ATOM 114 C THR A 684 -9.331 -0.339 2.853 1.00 34.54 C ATOM 115 O THR A 684 -8.204 -0.377 3.324 1.00 41.22 O ATOM 116 CB THR A 684 -11.247 -0.364 4.501 1.00 63.22 C ATOM 117 OG1 THR A 684 -12.307 0.431 5.052 1.00 53.52 O ATOM 118 CG2 THR A 684 -10.366 -0.885 5.631 1.00 1.54 C ATOM 0 H THR A 684 -12.264 0.693 2.540 1.00 2.42 H new ATOM 0 HA THR A 684 -9.977 1.323 4.066 1.00 75.44 H new ATOM 0 HB THR A 684 -11.650 -1.222 3.963 1.00 63.22 H new ATOM 0 HG1 THR A 684 -12.852 0.799 4.325 1.00 53.52 H new ATOM 0 HG21 THR A 684 -10.965 -1.492 6.309 1.00 1.54 H new ATOM 0 HG22 THR A 684 -9.562 -1.492 5.215 1.00 1.54 H new ATOM 0 HG23 THR A 684 -9.940 -0.044 6.178 1.00 1.54 H new ATOM 126 N VAL A 685 -9.669 -0.972 1.740 1.00 73.45 N ATOM 127 CA VAL A 685 -8.713 -1.751 0.966 1.00 10.33 C ATOM 128 C VAL A 685 -7.616 -0.850 0.452 1.00 64.34 C ATOM 129 O VAL A 685 -6.443 -1.138 0.610 1.00 4.11 O ATOM 130 CB VAL A 685 -9.394 -2.461 -0.220 1.00 4.13 C ATOM 131 CG1 VAL A 685 -8.370 -3.192 -1.085 1.00 22.22 C ATOM 132 CG2 VAL A 685 -10.417 -3.438 0.292 1.00 73.32 C ATOM 0 H VAL A 685 -10.611 -0.961 1.348 1.00 73.45 H new ATOM 0 HA VAL A 685 -8.291 -2.512 1.622 1.00 10.33 H new ATOM 0 HB VAL A 685 -9.884 -1.706 -0.835 1.00 4.13 H new ATOM 0 HG11 VAL A 685 -8.879 -3.684 -1.914 1.00 22.22 H new ATOM 0 HG12 VAL A 685 -7.647 -2.476 -1.476 1.00 22.22 H new ATOM 0 HG13 VAL A 685 -7.852 -3.939 -0.483 1.00 22.22 H new ATOM 0 HG21 VAL A 685 -10.896 -3.938 -0.550 1.00 73.32 H new ATOM 0 HG22 VAL A 685 -9.928 -4.180 0.924 1.00 73.32 H new ATOM 0 HG23 VAL A 685 -11.169 -2.906 0.874 1.00 73.32 H new ATOM 142 N TYR A 686 -7.997 0.256 -0.136 1.00 42.42 N ATOM 143 CA TYR A 686 -7.015 1.207 -0.608 1.00 10.14 C ATOM 144 C TYR A 686 -6.266 1.842 0.554 1.00 60.41 C ATOM 145 O TYR A 686 -5.105 2.202 0.426 1.00 62.05 O ATOM 146 CB TYR A 686 -7.633 2.237 -1.539 1.00 61.21 C ATOM 147 CG TYR A 686 -8.124 1.615 -2.822 1.00 64.04 C ATOM 148 CD1 TYR A 686 -7.219 1.179 -3.770 1.00 64.12 C ATOM 149 CD2 TYR A 686 -9.476 1.440 -3.075 1.00 51.44 C ATOM 150 CE1 TYR A 686 -7.638 0.592 -4.943 1.00 53.35 C ATOM 151 CE2 TYR A 686 -9.907 0.846 -4.251 1.00 34.42 C ATOM 152 CZ TYR A 686 -8.982 0.426 -5.179 1.00 62.55 C ATOM 153 OH TYR A 686 -9.403 -0.167 -6.359 1.00 12.24 O ATOM 0 H TYR A 686 -8.968 0.521 -0.299 1.00 42.42 H new ATOM 0 HA TYR A 686 -6.279 0.664 -1.201 1.00 10.14 H new ATOM 0 HB2 TYR A 686 -8.464 2.730 -1.034 1.00 61.21 H new ATOM 0 HB3 TYR A 686 -6.896 3.007 -1.768 1.00 61.21 H new ATOM 0 HD1 TYR A 686 -6.162 1.301 -3.588 1.00 64.12 H new ATOM 0 HD2 TYR A 686 -10.202 1.770 -2.347 1.00 51.44 H new ATOM 0 HE1 TYR A 686 -6.914 0.264 -5.674 1.00 53.35 H new ATOM 0 HE2 TYR A 686 -10.962 0.714 -4.438 1.00 34.42 H new ATOM 0 HH TYR A 686 -10.382 -0.211 -6.372 1.00 12.24 H new ATOM 163 N SER A 687 -6.919 1.909 1.697 1.00 12.44 N ATOM 164 CA SER A 687 -6.299 2.430 2.900 1.00 31.52 C ATOM 165 C SER A 687 -5.240 1.438 3.422 1.00 34.44 C ATOM 166 O SER A 687 -4.196 1.839 3.928 1.00 62.40 O ATOM 167 CB SER A 687 -7.354 2.713 3.964 1.00 34.43 C ATOM 168 OG SER A 687 -8.329 3.642 3.480 1.00 71.34 O ATOM 0 H SER A 687 -7.886 1.607 1.819 1.00 12.44 H new ATOM 0 HA SER A 687 -5.801 3.370 2.662 1.00 31.52 H new ATOM 0 HB2 SER A 687 -7.844 1.783 4.253 1.00 34.43 H new ATOM 0 HB3 SER A 687 -6.876 3.113 4.858 1.00 34.43 H new ATOM 0 HG SER A 687 -8.929 3.189 2.851 1.00 71.34 H new ATOM 174 N GLU A 688 -5.503 0.143 3.282 1.00 73.25 N ATOM 175 CA GLU A 688 -4.516 -0.834 3.652 1.00 25.21 C ATOM 176 C GLU A 688 -3.426 -0.926 2.597 1.00 73.22 C ATOM 177 O GLU A 688 -2.304 -1.306 2.891 1.00 3.04 O ATOM 178 CB GLU A 688 -5.087 -2.192 4.063 1.00 42.20 C ATOM 179 CG GLU A 688 -5.884 -2.898 3.022 1.00 70.54 C ATOM 180 CD GLU A 688 -6.370 -4.225 3.504 1.00 44.11 C ATOM 181 OE1 GLU A 688 -5.605 -5.211 3.440 1.00 50.02 O ATOM 182 OE2 GLU A 688 -7.512 -4.310 3.973 1.00 3.22 O ATOM 0 H GLU A 688 -6.378 -0.238 2.921 1.00 73.25 H new ATOM 0 HA GLU A 688 -4.055 -0.472 4.571 1.00 25.21 H new ATOM 0 HB2 GLU A 688 -4.261 -2.837 4.362 1.00 42.20 H new ATOM 0 HB3 GLU A 688 -5.716 -2.050 4.942 1.00 42.20 H new ATOM 0 HG2 GLU A 688 -6.735 -2.281 2.735 1.00 70.54 H new ATOM 0 HG3 GLU A 688 -5.275 -3.036 2.129 1.00 70.54 H new ATOM 189 N VAL A 689 -3.761 -0.573 1.357 1.00 31.53 N ATOM 190 CA VAL A 689 -2.752 -0.427 0.314 1.00 73.35 C ATOM 191 C VAL A 689 -1.824 0.734 0.684 1.00 51.53 C ATOM 192 O VAL A 689 -0.629 0.687 0.443 1.00 11.22 O ATOM 193 CB VAL A 689 -3.373 -0.229 -1.106 1.00 64.05 C ATOM 194 CG1 VAL A 689 -2.289 0.043 -2.148 1.00 70.14 C ATOM 195 CG2 VAL A 689 -4.142 -1.475 -1.503 1.00 41.30 C ATOM 0 H VAL A 689 -4.716 -0.384 1.053 1.00 31.53 H new ATOM 0 HA VAL A 689 -2.181 -1.354 0.257 1.00 73.35 H new ATOM 0 HB VAL A 689 -4.043 0.630 -1.067 1.00 64.05 H new ATOM 0 HG11 VAL A 689 -2.750 0.177 -3.127 1.00 70.14 H new ATOM 0 HG12 VAL A 689 -1.743 0.947 -1.878 1.00 70.14 H new ATOM 0 HG13 VAL A 689 -1.599 -0.800 -2.184 1.00 70.14 H new ATOM 0 HG21 VAL A 689 -4.575 -1.335 -2.494 1.00 41.30 H new ATOM 0 HG22 VAL A 689 -3.466 -2.330 -1.519 1.00 41.30 H new ATOM 0 HG23 VAL A 689 -4.939 -1.656 -0.781 1.00 41.30 H new ATOM 205 N ARG A 690 -2.394 1.762 1.311 1.00 72.31 N ATOM 206 CA ARG A 690 -1.624 2.871 1.842 1.00 3.53 C ATOM 207 C ARG A 690 -0.697 2.380 2.954 1.00 73.02 C ATOM 208 O ARG A 690 0.408 2.854 3.100 1.00 51.32 O ATOM 209 CB ARG A 690 -2.541 3.953 2.375 1.00 14.25 C ATOM 210 CG ARG A 690 -3.403 4.637 1.337 1.00 43.42 C ATOM 211 CD ARG A 690 -2.572 5.357 0.285 1.00 11.01 C ATOM 212 NE ARG A 690 -3.433 6.052 -0.678 1.00 75.30 N ATOM 213 CZ ARG A 690 -3.054 7.063 -1.462 1.00 3.53 C ATOM 214 NH1 ARG A 690 -1.806 7.504 -1.419 1.00 40.02 N ATOM 215 NH2 ARG A 690 -3.930 7.635 -2.278 1.00 33.33 N ATOM 0 H ARG A 690 -3.399 1.844 1.462 1.00 72.31 H new ATOM 0 HA ARG A 690 -1.024 3.292 1.035 1.00 3.53 H new ATOM 0 HB2 ARG A 690 -3.191 3.515 3.132 1.00 14.25 H new ATOM 0 HB3 ARG A 690 -1.934 4.708 2.874 1.00 14.25 H new ATOM 0 HG2 ARG A 690 -4.040 3.898 0.851 1.00 43.42 H new ATOM 0 HG3 ARG A 690 -4.063 5.352 1.829 1.00 43.42 H new ATOM 0 HD2 ARG A 690 -1.908 6.074 0.768 1.00 11.01 H new ATOM 0 HD3 ARG A 690 -1.940 4.640 -0.238 1.00 11.01 H new ATOM 0 HE ARG A 690 -4.400 5.737 -0.755 1.00 75.30 H new ATOM 0 HH11 ARG A 690 -1.134 7.071 -0.786 1.00 40.02 H new ATOM 0 HH12 ARG A 690 -1.517 8.277 -2.019 1.00 40.02 H new ATOM 0 HH21 ARG A 690 -4.894 7.302 -2.306 1.00 33.33 H new ATOM 0 HH22 ARG A 690 -3.640 8.408 -2.877 1.00 33.33 H new ATOM 229 N LYS A 691 -1.166 1.403 3.718 1.00 20.21 N ATOM 230 CA LYS A 691 -0.360 0.764 4.762 1.00 51.34 C ATOM 231 C LYS A 691 0.733 -0.092 4.121 1.00 11.34 C ATOM 232 O LYS A 691 1.814 -0.298 4.690 1.00 62.32 O ATOM 233 CB LYS A 691 -1.245 -0.098 5.662 1.00 13.41 C ATOM 234 CG LYS A 691 -2.312 0.679 6.414 1.00 70.31 C ATOM 235 CD LYS A 691 -3.206 -0.250 7.218 1.00 45.15 C ATOM 236 CE LYS A 691 -4.224 0.524 8.037 1.00 52.32 C ATOM 237 NZ LYS A 691 -3.580 1.424 9.027 1.00 23.24 N ATOM 0 H LYS A 691 -2.111 1.029 3.636 1.00 20.21 H new ATOM 0 HA LYS A 691 0.106 1.538 5.372 1.00 51.34 H new ATOM 0 HB2 LYS A 691 -1.729 -0.862 5.053 1.00 13.41 H new ATOM 0 HB3 LYS A 691 -0.614 -0.618 6.383 1.00 13.41 H new ATOM 0 HG2 LYS A 691 -1.838 1.399 7.081 1.00 70.31 H new ATOM 0 HG3 LYS A 691 -2.916 1.248 5.708 1.00 70.31 H new ATOM 0 HD2 LYS A 691 -3.724 -0.932 6.543 1.00 45.15 H new ATOM 0 HD3 LYS A 691 -2.594 -0.861 7.881 1.00 45.15 H new ATOM 0 HE2 LYS A 691 -4.853 1.112 7.369 1.00 52.32 H new ATOM 0 HE3 LYS A 691 -4.878 -0.176 8.557 1.00 52.32 H new ATOM 0 HZ1 LYS A 691 -4.286 1.735 9.724 1.00 23.24 H new ATOM 0 HZ2 LYS A 691 -2.814 0.915 9.513 1.00 23.24 H new ATOM 0 HZ3 LYS A 691 -3.188 2.254 8.538 1.00 23.24 H new ATOM 251 N ALA A 692 0.441 -0.578 2.928 1.00 44.30 N ATOM 252 CA ALA A 692 1.363 -1.376 2.153 1.00 42.32 C ATOM 253 C ALA A 692 2.429 -0.489 1.489 1.00 72.10 C ATOM 254 O ALA A 692 3.431 -0.980 0.985 1.00 52.01 O ATOM 255 CB ALA A 692 0.612 -2.199 1.107 1.00 24.15 C ATOM 0 H ALA A 692 -0.456 -0.425 2.467 1.00 44.30 H new ATOM 0 HA ALA A 692 1.871 -2.064 2.829 1.00 42.32 H new ATOM 0 HB1 ALA A 692 1.323 -2.794 0.533 1.00 24.15 H new ATOM 0 HB2 ALA A 692 -0.096 -2.861 1.605 1.00 24.15 H new ATOM 0 HB3 ALA A 692 0.073 -1.530 0.436 1.00 24.15 H new ATOM 261 N VAL A 693 2.203 0.819 1.503 1.00 14.13 N ATOM 262 CA VAL A 693 3.145 1.781 0.933 1.00 71.54 C ATOM 263 C VAL A 693 4.474 1.810 1.741 1.00 31.34 C ATOM 264 O VAL A 693 5.546 1.592 1.165 1.00 2.34 O ATOM 265 CB VAL A 693 2.507 3.205 0.767 1.00 73.44 C ATOM 266 CG1 VAL A 693 3.505 4.218 0.248 1.00 31.43 C ATOM 267 CG2 VAL A 693 1.327 3.136 -0.184 1.00 41.34 C ATOM 0 H VAL A 693 1.368 1.243 1.907 1.00 14.13 H new ATOM 0 HA VAL A 693 3.391 1.445 -0.074 1.00 71.54 H new ATOM 0 HB VAL A 693 2.178 3.529 1.754 1.00 73.44 H new ATOM 0 HG11 VAL A 693 3.020 5.189 0.149 1.00 31.43 H new ATOM 0 HG12 VAL A 693 4.338 4.299 0.946 1.00 31.43 H new ATOM 0 HG13 VAL A 693 3.877 3.897 -0.725 1.00 31.43 H new ATOM 0 HG21 VAL A 693 0.890 4.128 -0.294 1.00 41.34 H new ATOM 0 HG22 VAL A 693 1.664 2.778 -1.157 1.00 41.34 H new ATOM 0 HG23 VAL A 693 0.578 2.452 0.215 1.00 41.34 H new ATOM 277 N PRO A 694 4.452 2.067 3.089 1.00 54.41 N ATOM 278 CA PRO A 694 5.668 1.962 3.900 1.00 25.02 C ATOM 279 C PRO A 694 6.111 0.495 4.036 1.00 63.11 C ATOM 280 O PRO A 694 7.260 0.206 4.354 1.00 72.40 O ATOM 281 CB PRO A 694 5.263 2.541 5.258 1.00 54.12 C ATOM 282 CG PRO A 694 3.786 2.400 5.311 1.00 31.41 C ATOM 283 CD PRO A 694 3.303 2.525 3.898 1.00 75.21 C ATOM 0 HA PRO A 694 6.513 2.490 3.458 1.00 25.02 H new ATOM 0 HB2 PRO A 694 5.741 2.001 6.076 1.00 54.12 H new ATOM 0 HB3 PRO A 694 5.563 3.585 5.347 1.00 54.12 H new ATOM 0 HG2 PRO A 694 3.502 1.437 5.736 1.00 31.41 H new ATOM 0 HG3 PRO A 694 3.344 3.170 5.943 1.00 31.41 H new ATOM 0 HD2 PRO A 694 2.420 1.911 3.722 1.00 75.21 H new ATOM 0 HD3 PRO A 694 3.030 3.553 3.658 1.00 75.21 H new ATOM 291 N ASP A 695 5.193 -0.419 3.772 1.00 2.30 N ATOM 292 CA ASP A 695 5.501 -1.848 3.799 1.00 3.22 C ATOM 293 C ASP A 695 6.406 -2.195 2.626 1.00 72.05 C ATOM 294 O ASP A 695 7.320 -3.018 2.746 1.00 64.53 O ATOM 295 CB ASP A 695 4.221 -2.672 3.725 1.00 33.12 C ATOM 296 CG ASP A 695 4.475 -4.157 3.755 1.00 61.41 C ATOM 297 OD1 ASP A 695 4.524 -4.741 4.858 1.00 23.41 O ATOM 298 OD2 ASP A 695 4.621 -4.765 2.680 1.00 74.14 O ATOM 0 H ASP A 695 4.225 -0.201 3.536 1.00 2.30 H new ATOM 0 HA ASP A 695 6.010 -2.081 4.734 1.00 3.22 H new ATOM 0 HB2 ASP A 695 3.573 -2.403 4.559 1.00 33.12 H new ATOM 0 HB3 ASP A 695 3.685 -2.419 2.810 1.00 33.12 H new ATOM 303 N ALA A 696 6.153 -1.546 1.498 1.00 64.11 N ATOM 304 CA ALA A 696 6.945 -1.725 0.301 1.00 33.35 C ATOM 305 C ALA A 696 8.378 -1.295 0.535 1.00 22.13 C ATOM 306 O ALA A 696 9.306 -2.043 0.240 1.00 13.31 O ATOM 307 CB ALA A 696 6.339 -0.962 -0.869 1.00 34.23 C ATOM 0 H ALA A 696 5.388 -0.879 1.393 1.00 64.11 H new ATOM 0 HA ALA A 696 6.944 -2.786 0.052 1.00 33.35 H new ATOM 0 HB1 ALA A 696 6.952 -1.112 -1.758 1.00 34.23 H new ATOM 0 HB2 ALA A 696 5.330 -1.328 -1.058 1.00 34.23 H new ATOM 0 HB3 ALA A 696 6.301 0.101 -0.630 1.00 34.23 H new ATOM 313 N VAL A 697 8.565 -0.105 1.102 1.00 34.01 N ATOM 314 CA VAL A 697 9.912 0.383 1.369 1.00 1.20 C ATOM 315 C VAL A 697 10.623 -0.512 2.383 1.00 11.31 C ATOM 316 O VAL A 697 11.793 -0.825 2.223 1.00 33.22 O ATOM 317 CB VAL A 697 9.967 1.883 1.806 1.00 50.31 C ATOM 318 CG1 VAL A 697 9.200 2.143 3.079 1.00 44.25 C ATOM 319 CG2 VAL A 697 11.398 2.323 1.962 1.00 22.41 C ATOM 0 H VAL A 697 7.815 0.528 1.380 1.00 34.01 H new ATOM 0 HA VAL A 697 10.442 0.334 0.418 1.00 1.20 H new ATOM 0 HB VAL A 697 9.488 2.466 1.020 1.00 50.31 H new ATOM 0 HG11 VAL A 697 9.271 3.200 3.337 1.00 44.25 H new ATOM 0 HG12 VAL A 697 8.154 1.874 2.935 1.00 44.25 H new ATOM 0 HG13 VAL A 697 9.621 1.543 3.886 1.00 44.25 H new ATOM 0 HG21 VAL A 697 11.426 3.369 2.267 1.00 22.41 H new ATOM 0 HG22 VAL A 697 11.886 1.711 2.721 1.00 22.41 H new ATOM 0 HG23 VAL A 697 11.920 2.208 1.012 1.00 22.41 H new ATOM 329 N GLU A 698 9.877 -0.957 3.388 1.00 74.41 N ATOM 330 CA GLU A 698 10.343 -1.858 4.401 1.00 71.44 C ATOM 331 C GLU A 698 10.922 -3.123 3.747 1.00 14.11 C ATOM 332 O GLU A 698 11.978 -3.630 4.154 1.00 32.20 O ATOM 333 CB GLU A 698 9.140 -2.248 5.227 1.00 72.43 C ATOM 334 CG GLU A 698 9.447 -3.152 6.352 1.00 12.23 C ATOM 335 CD GLU A 698 8.202 -3.688 6.997 1.00 74.43 C ATOM 336 OE1 GLU A 698 7.550 -2.955 7.772 1.00 2.41 O ATOM 337 OE2 GLU A 698 7.835 -4.853 6.717 1.00 15.14 O ATOM 0 H GLU A 698 8.902 -0.684 3.512 1.00 74.41 H new ATOM 0 HA GLU A 698 11.116 -1.388 5.009 1.00 71.44 H new ATOM 0 HB2 GLU A 698 8.674 -1.344 5.619 1.00 72.43 H new ATOM 0 HB3 GLU A 698 8.408 -2.729 4.578 1.00 72.43 H new ATOM 0 HG2 GLU A 698 10.056 -3.982 5.995 1.00 12.23 H new ATOM 0 HG3 GLU A 698 10.040 -2.618 7.095 1.00 12.23 H new ATOM 344 N SER A 699 10.226 -3.608 2.735 1.00 24.43 N ATOM 345 CA SER A 699 10.654 -4.759 1.983 1.00 20.51 C ATOM 346 C SER A 699 11.906 -4.418 1.168 1.00 22.24 C ATOM 347 O SER A 699 12.828 -5.203 1.096 1.00 44.43 O ATOM 348 CB SER A 699 9.517 -5.228 1.056 1.00 60.44 C ATOM 349 OG SER A 699 9.892 -6.362 0.286 1.00 71.32 O ATOM 0 H SER A 699 9.344 -3.208 2.415 1.00 24.43 H new ATOM 0 HA SER A 699 10.900 -5.567 2.672 1.00 20.51 H new ATOM 0 HB2 SER A 699 8.638 -5.470 1.654 1.00 60.44 H new ATOM 0 HB3 SER A 699 9.234 -4.414 0.389 1.00 60.44 H new ATOM 0 HG SER A 699 9.144 -6.630 -0.288 1.00 71.32 H new ATOM 355 N ARG A 700 11.924 -3.225 0.599 1.00 1.22 N ATOM 356 CA ARG A 700 13.018 -2.759 -0.252 1.00 72.13 C ATOM 357 C ARG A 700 14.328 -2.469 0.491 1.00 43.23 C ATOM 358 O ARG A 700 15.392 -2.418 -0.135 1.00 51.22 O ATOM 359 CB ARG A 700 12.589 -1.617 -1.186 1.00 53.22 C ATOM 360 CG ARG A 700 11.895 -2.070 -2.490 1.00 64.22 C ATOM 361 CD ARG A 700 10.709 -2.999 -2.262 1.00 25.00 C ATOM 362 NE ARG A 700 10.057 -3.374 -3.521 1.00 51.41 N ATOM 363 CZ ARG A 700 9.399 -4.520 -3.751 1.00 32.02 C ATOM 364 NH1 ARG A 700 9.374 -5.492 -2.834 1.00 65.21 N ATOM 365 NH2 ARG A 700 8.787 -4.698 -4.915 1.00 5.42 N ATOM 0 H ARG A 700 11.175 -2.542 0.713 1.00 1.22 H new ATOM 0 HA ARG A 700 13.258 -3.611 -0.888 1.00 72.13 H new ATOM 0 HB2 ARG A 700 11.913 -0.957 -0.642 1.00 53.22 H new ATOM 0 HB3 ARG A 700 13.469 -1.029 -1.445 1.00 53.22 H new ATOM 0 HG2 ARG A 700 11.556 -1.189 -3.035 1.00 64.22 H new ATOM 0 HG3 ARG A 700 12.625 -2.575 -3.123 1.00 64.22 H new ATOM 0 HD2 ARG A 700 11.046 -3.898 -1.746 1.00 25.00 H new ATOM 0 HD3 ARG A 700 9.985 -2.510 -1.610 1.00 25.00 H new ATOM 0 HE ARG A 700 10.108 -2.705 -4.289 1.00 51.41 H new ATOM 0 HH11 ARG A 700 9.859 -5.368 -1.946 1.00 65.21 H new ATOM 0 HH12 ARG A 700 8.870 -6.358 -3.023 1.00 65.21 H new ATOM 0 HH21 ARG A 700 8.820 -3.967 -5.625 1.00 5.42 H new ATOM 0 HH22 ARG A 700 8.284 -5.566 -5.099 1.00 5.42 H new ATOM 379 N TYR A 701 14.262 -2.258 1.813 1.00 43.14 N ATOM 380 CA TYR A 701 15.497 -2.155 2.635 1.00 54.13 C ATOM 381 C TYR A 701 16.232 -3.495 2.659 1.00 33.03 C ATOM 382 O TYR A 701 17.411 -3.580 3.030 1.00 40.34 O ATOM 383 CB TYR A 701 15.202 -1.735 4.078 1.00 35.21 C ATOM 384 CG TYR A 701 14.870 -0.279 4.296 1.00 54.41 C ATOM 385 CD1 TYR A 701 15.884 0.653 4.429 1.00 63.43 C ATOM 386 CD2 TYR A 701 13.565 0.162 4.413 1.00 51.15 C ATOM 387 CE1 TYR A 701 15.608 1.974 4.672 1.00 40.35 C ATOM 388 CE2 TYR A 701 13.280 1.480 4.646 1.00 2.10 C ATOM 389 CZ TYR A 701 14.303 2.385 4.779 1.00 53.02 C ATOM 390 OH TYR A 701 14.019 3.712 5.031 1.00 31.33 O ATOM 0 H TYR A 701 13.392 -2.156 2.336 1.00 43.14 H new ATOM 0 HA TYR A 701 16.117 -1.387 2.172 1.00 54.13 H new ATOM 0 HB2 TYR A 701 14.369 -2.335 4.445 1.00 35.21 H new ATOM 0 HB3 TYR A 701 16.068 -1.984 4.691 1.00 35.21 H new ATOM 0 HD1 TYR A 701 16.912 0.334 4.340 1.00 63.43 H new ATOM 0 HD2 TYR A 701 12.756 -0.547 4.319 1.00 51.15 H new ATOM 0 HE1 TYR A 701 16.413 2.687 4.779 1.00 40.35 H new ATOM 0 HE2 TYR A 701 12.254 1.807 4.725 1.00 2.10 H new ATOM 0 HH TYR A 701 13.048 3.836 5.076 1.00 31.33 H new ATOM 400 N SER A 702 15.525 -4.510 2.279 1.00 25.02 N ATOM 401 CA SER A 702 15.999 -5.847 2.229 1.00 40.31 C ATOM 402 C SER A 702 15.856 -6.323 0.772 1.00 2.14 C ATOM 403 O SER A 702 15.267 -5.617 -0.058 1.00 71.20 O ATOM 404 CB SER A 702 15.107 -6.681 3.192 1.00 24.23 C ATOM 405 OG SER A 702 15.483 -8.050 3.274 1.00 60.23 O ATOM 0 H SER A 702 14.554 -4.420 1.981 1.00 25.02 H new ATOM 0 HA SER A 702 17.041 -5.947 2.533 1.00 40.31 H new ATOM 0 HB2 SER A 702 15.151 -6.240 4.188 1.00 24.23 H new ATOM 0 HB3 SER A 702 14.070 -6.617 2.861 1.00 24.23 H new ATOM 0 HG SER A 702 16.457 -8.127 3.193 1.00 60.23 H new ATOM 411 N ARG A 703 16.416 -7.453 0.441 1.00 51.40 N ATOM 412 CA ARG A 703 16.198 -8.013 -0.866 1.00 2.43 C ATOM 413 C ARG A 703 15.256 -9.180 -0.720 1.00 35.32 C ATOM 414 O ARG A 703 14.036 -9.025 -0.814 1.00 44.04 O ATOM 415 CB ARG A 703 17.511 -8.435 -1.545 1.00 75.54 C ATOM 416 CG ARG A 703 18.474 -7.292 -1.798 1.00 52.14 C ATOM 417 CD ARG A 703 19.722 -7.778 -2.504 1.00 51.50 C ATOM 418 NE ARG A 703 20.659 -6.688 -2.781 1.00 41.32 N ATOM 419 CZ ARG A 703 21.503 -6.643 -3.821 1.00 20.23 C ATOM 420 NH1 ARG A 703 21.465 -7.591 -4.756 1.00 14.44 N ATOM 421 NH2 ARG A 703 22.358 -5.636 -3.940 1.00 11.03 N ATOM 0 H ARG A 703 17.022 -8.001 1.051 1.00 51.40 H new ATOM 0 HA ARG A 703 15.760 -7.254 -1.515 1.00 2.43 H new ATOM 0 HB2 ARG A 703 18.005 -9.181 -0.923 1.00 75.54 H new ATOM 0 HB3 ARG A 703 17.278 -8.916 -2.495 1.00 75.54 H new ATOM 0 HG2 ARG A 703 17.985 -6.527 -2.402 1.00 52.14 H new ATOM 0 HG3 ARG A 703 18.746 -6.825 -0.851 1.00 52.14 H new ATOM 0 HD2 ARG A 703 20.215 -8.532 -1.890 1.00 51.50 H new ATOM 0 HD3 ARG A 703 19.443 -8.262 -3.440 1.00 51.50 H new ATOM 0 HE ARG A 703 20.670 -5.901 -2.132 1.00 41.32 H new ATOM 0 HH11 ARG A 703 20.792 -8.354 -4.682 1.00 14.44 H new ATOM 0 HH12 ARG A 703 22.109 -7.554 -5.546 1.00 14.44 H new ATOM 0 HH21 ARG A 703 22.374 -4.895 -3.239 1.00 11.03 H new ATOM 0 HH22 ARG A 703 23.000 -5.603 -4.732 1.00 11.03 H new ATOM 435 N THR A 704 15.816 -10.301 -0.396 1.00 70.13 N ATOM 436 CA THR A 704 15.117 -11.512 -0.101 1.00 4.45 C ATOM 437 C THR A 704 15.954 -12.321 0.820 1.00 22.35 C ATOM 438 O THR A 704 16.784 -13.134 0.412 1.00 71.11 O ATOM 439 CB THR A 704 14.679 -12.327 -1.317 1.00 5.14 C ATOM 440 OG1 THR A 704 15.711 -12.363 -2.317 1.00 34.11 O ATOM 441 CG2 THR A 704 13.376 -11.825 -1.892 1.00 52.31 C ATOM 0 H THR A 704 16.829 -10.402 -0.326 1.00 70.13 H new ATOM 0 HA THR A 704 14.175 -11.228 0.368 1.00 4.45 H new ATOM 0 HB THR A 704 14.507 -13.348 -0.976 1.00 5.14 H new ATOM 0 HG1 THR A 704 16.561 -12.616 -1.901 1.00 34.11 H new ATOM 0 HG21 THR A 704 13.101 -12.432 -2.755 1.00 52.31 H new ATOM 0 HG22 THR A 704 12.594 -11.894 -1.136 1.00 52.31 H new ATOM 0 HG23 THR A 704 13.491 -10.786 -2.201 1.00 52.31 H new ATOM 449 N GLU A 705 15.792 -12.024 2.046 1.00 60.32 N ATOM 450 CA GLU A 705 16.581 -12.603 3.084 1.00 53.34 C ATOM 451 C GLU A 705 15.800 -13.624 3.855 1.00 11.12 C ATOM 452 O GLU A 705 14.649 -13.388 4.246 1.00 52.11 O ATOM 453 CB GLU A 705 17.213 -11.546 4.024 1.00 32.03 C ATOM 454 CG GLU A 705 18.421 -10.760 3.456 1.00 10.13 C ATOM 455 CD GLU A 705 18.124 -9.867 2.273 1.00 30.45 C ATOM 456 OE1 GLU A 705 18.191 -10.330 1.133 1.00 11.43 O ATOM 457 OE2 GLU A 705 17.854 -8.661 2.480 1.00 4.41 O ATOM 0 H GLU A 705 15.094 -11.358 2.377 1.00 60.32 H new ATOM 0 HA GLU A 705 17.412 -13.110 2.593 1.00 53.34 H new ATOM 0 HB2 GLU A 705 16.440 -10.830 4.304 1.00 32.03 H new ATOM 0 HB3 GLU A 705 17.530 -12.047 4.939 1.00 32.03 H new ATOM 0 HG2 GLU A 705 18.840 -10.147 4.254 1.00 10.13 H new ATOM 0 HG3 GLU A 705 19.191 -11.474 3.164 1.00 10.13 H new ATOM 464 N GLY A 706 16.430 -14.735 4.092 1.00 12.34 N ATOM 465 CA GLY A 706 15.798 -15.840 4.752 1.00 61.42 C ATOM 466 C GLY A 706 16.251 -17.131 4.141 1.00 70.11 C ATOM 467 O GLY A 706 16.241 -18.180 4.780 1.00 50.54 O ATOM 0 H GLY A 706 17.402 -14.902 3.832 1.00 12.34 H new ATOM 0 HA2 GLY A 706 16.041 -15.826 5.815 1.00 61.42 H new ATOM 0 HA3 GLY A 706 14.715 -15.751 4.671 1.00 61.42 H new ATOM 471 N SER A 707 16.650 -17.046 2.897 1.00 23.13 N ATOM 472 CA SER A 707 17.164 -18.173 2.176 1.00 70.53 C ATOM 473 C SER A 707 18.685 -18.120 2.208 1.00 23.52 C ATOM 474 O SER A 707 19.290 -17.164 1.705 1.00 71.34 O ATOM 475 CB SER A 707 16.659 -18.113 0.741 1.00 4.15 C ATOM 476 OG SER A 707 15.238 -18.001 0.720 1.00 64.44 O ATOM 0 H SER A 707 16.625 -16.182 2.355 1.00 23.13 H new ATOM 0 HA SER A 707 16.829 -19.106 2.630 1.00 70.53 H new ATOM 0 HB2 SER A 707 17.105 -17.262 0.227 1.00 4.15 H new ATOM 0 HB3 SER A 707 16.968 -19.009 0.202 1.00 4.15 H new ATOM 0 HG SER A 707 14.927 -17.962 -0.208 1.00 64.44 H new ATOM 482 N LEU A 708 19.293 -19.102 2.825 1.00 53.42 N ATOM 483 CA LEU A 708 20.729 -19.142 2.951 1.00 41.11 C ATOM 484 C LEU A 708 21.303 -20.275 2.125 1.00 5.11 C ATOM 485 O LEU A 708 20.974 -21.445 2.359 1.00 54.43 O ATOM 486 CB LEU A 708 21.118 -19.346 4.420 1.00 33.41 C ATOM 487 CG LEU A 708 20.627 -18.293 5.415 1.00 4.51 C ATOM 488 CD1 LEU A 708 21.016 -18.685 6.827 1.00 61.01 C ATOM 489 CD2 LEU A 708 21.194 -16.924 5.074 1.00 61.21 C ATOM 0 H LEU A 708 18.810 -19.892 3.252 1.00 53.42 H new ATOM 0 HA LEU A 708 21.132 -18.196 2.590 1.00 41.11 H new ATOM 0 HB2 LEU A 708 20.741 -20.318 4.740 1.00 33.41 H new ATOM 0 HB3 LEU A 708 22.205 -19.390 4.481 1.00 33.41 H new ATOM 0 HG LEU A 708 19.540 -18.240 5.350 1.00 4.51 H new ATOM 0 HD11 LEU A 708 20.661 -17.928 7.526 1.00 61.01 H new ATOM 0 HD12 LEU A 708 20.566 -19.647 7.075 1.00 61.01 H new ATOM 0 HD13 LEU A 708 22.101 -18.763 6.897 1.00 61.01 H new ATOM 0 HD21 LEU A 708 20.832 -16.190 5.794 1.00 61.21 H new ATOM 0 HD22 LEU A 708 22.283 -16.962 5.111 1.00 61.21 H new ATOM 0 HD23 LEU A 708 20.874 -16.637 4.072 1.00 61.21 H new ATOM 501 N ASP A 709 22.134 -19.940 1.152 1.00 41.23 N ATOM 502 CA ASP A 709 22.822 -20.954 0.347 1.00 44.31 C ATOM 503 C ASP A 709 23.800 -21.678 1.246 1.00 2.43 C ATOM 504 O ASP A 709 23.863 -22.906 1.275 1.00 73.13 O ATOM 505 CB ASP A 709 23.555 -20.309 -0.832 1.00 13.13 C ATOM 506 CG ASP A 709 24.304 -21.312 -1.688 1.00 10.05 C ATOM 507 OD1 ASP A 709 23.679 -21.955 -2.557 1.00 5.13 O ATOM 508 OD2 ASP A 709 25.527 -21.459 -1.518 1.00 62.35 O ATOM 0 H ASP A 709 22.353 -18.977 0.895 1.00 41.23 H new ATOM 0 HA ASP A 709 22.097 -21.655 -0.065 1.00 44.31 H new ATOM 0 HB2 ASP A 709 22.834 -19.777 -1.453 1.00 13.13 H new ATOM 0 HB3 ASP A 709 24.258 -19.567 -0.453 1.00 13.13 H new ATOM 513 N GLY A 710 24.533 -20.902 1.992 1.00 45.25 N ATOM 514 CA GLY A 710 25.396 -21.426 2.992 1.00 60.14 C ATOM 515 C GLY A 710 24.738 -21.249 4.334 1.00 32.45 C ATOM 516 O GLY A 710 24.759 -20.156 4.907 1.00 53.15 O ATOM 0 H GLY A 710 24.543 -19.885 1.917 1.00 45.25 H new ATOM 0 HA2 GLY A 710 25.596 -22.481 2.805 1.00 60.14 H new ATOM 0 HA3 GLY A 710 26.357 -20.911 2.971 1.00 60.14 H new ATOM 520 N THR A 711 24.120 -22.287 4.808 1.00 61.14 N ATOM 521 CA THR A 711 23.392 -22.237 6.035 1.00 11.23 C ATOM 522 C THR A 711 24.341 -22.559 7.198 1.00 75.50 C ATOM 523 O THR A 711 24.677 -23.740 7.387 1.00 40.20 O ATOM 524 CB THR A 711 22.233 -23.252 6.004 1.00 53.02 C ATOM 525 OG1 THR A 711 21.513 -23.117 4.753 1.00 65.10 O ATOM 526 CG2 THR A 711 21.268 -22.991 7.148 1.00 10.03 C ATOM 527 OXT THR A 711 24.744 -21.625 7.934 1.00 40.20 O ATOM 0 H THR A 711 24.108 -23.198 4.350 1.00 61.14 H new ATOM 0 HA THR A 711 22.976 -21.238 6.170 1.00 11.23 H new ATOM 0 HB THR A 711 22.646 -24.256 6.102 1.00 53.02 H new ATOM 0 HG1 THR A 711 20.776 -23.762 4.729 1.00 65.10 H new ATOM 0 HG21 THR A 711 20.455 -23.717 7.111 1.00 10.03 H new ATOM 0 HG22 THR A 711 21.795 -23.084 8.097 1.00 10.03 H new ATOM 0 HG23 THR A 711 20.860 -21.984 7.057 1.00 10.03 H new TER 535 THR A 711