USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 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+ -166:sc= -0.0293 (180deg=-0.288) 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 78:sc= 1.24 USER MOD Single : A 691 LYS NZ :NH3+ 167:sc= -0.0187 (180deg=-0.227) USER MOD Single : A 699 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 701 TYR OH : rot 180:sc= 0 USER MOD Single : A 702 SER OG : rot 13:sc= 0.673 USER MOD Single : A 704 THR OG1 : rot 180:sc= 0 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 -14.388 -6.300 4.168 1.00 21.00 N ATOM 2 CA LEU A 677 -15.330 -6.771 5.180 1.00 25.25 C ATOM 3 C LEU A 677 -16.622 -7.218 4.516 1.00 13.04 C ATOM 4 O LEU A 677 -17.188 -8.256 4.874 1.00 41.32 O ATOM 5 CB LEU A 677 -15.647 -5.685 6.251 1.00 21.22 C ATOM 6 CG LEU A 677 -14.486 -5.138 7.121 1.00 34.11 C ATOM 7 CD1 LEU A 677 -13.713 -6.253 7.799 1.00 0.20 C ATOM 8 CD2 LEU A 677 -13.566 -4.193 6.349 1.00 71.41 C ATOM 0 HA LEU A 677 -14.858 -7.610 5.691 1.00 25.25 H new ATOM 0 HB2 LEU A 677 -16.104 -4.838 5.738 1.00 21.22 H new ATOM 0 HB3 LEU A 677 -16.400 -6.094 6.924 1.00 21.22 H new ATOM 0 HG LEU A 677 -14.947 -4.541 7.908 1.00 34.11 H new ATOM 0 HD11 LEU A 677 -12.909 -5.826 8.398 1.00 0.20 H new ATOM 0 HD12 LEU A 677 -14.384 -6.821 8.444 1.00 0.20 H new ATOM 0 HD13 LEU A 677 -13.290 -6.914 7.043 1.00 0.20 H new ATOM 0 HD21 LEU A 677 -12.772 -3.841 7.007 1.00 71.41 H new ATOM 0 HD22 LEU A 677 -13.128 -4.722 5.503 1.00 71.41 H new ATOM 0 HD23 LEU A 677 -14.141 -3.341 5.986 1.00 71.41 H new ATOM 20 N GLY A 678 -17.100 -6.433 3.568 1.00 52.33 N ATOM 21 CA GLY A 678 -18.302 -6.791 2.851 1.00 3.05 C ATOM 22 C GLY A 678 -18.303 -6.249 1.443 1.00 3.23 C ATOM 23 O GLY A 678 -18.324 -5.024 1.247 1.00 34.20 O ATOM 0 H GLY A 678 -16.676 -5.551 3.281 1.00 52.33 H new ATOM 0 HA2 GLY A 678 -18.397 -7.876 2.822 1.00 3.05 H new ATOM 0 HA3 GLY A 678 -19.171 -6.409 3.387 1.00 3.05 H new ATOM 27 N LYS A 679 -18.260 -7.166 0.460 1.00 44.01 N ATOM 28 CA LYS A 679 -18.240 -6.836 -0.985 1.00 24.15 C ATOM 29 C LYS A 679 -16.980 -6.062 -1.348 1.00 12.12 C ATOM 30 O LYS A 679 -16.936 -5.376 -2.367 1.00 20.03 O ATOM 31 CB LYS A 679 -19.486 -6.032 -1.405 1.00 0.13 C ATOM 32 CG LYS A 679 -20.806 -6.749 -1.202 1.00 3.53 C ATOM 33 CD LYS A 679 -21.957 -5.891 -1.693 1.00 62.33 C ATOM 34 CE LYS A 679 -23.296 -6.565 -1.477 1.00 64.34 C ATOM 35 NZ LYS A 679 -24.414 -5.740 -1.986 1.00 74.00 N ATOM 0 H LYS A 679 -18.238 -8.169 0.644 1.00 44.01 H new ATOM 0 HA LYS A 679 -18.247 -7.781 -1.528 1.00 24.15 H new ATOM 0 HB2 LYS A 679 -19.505 -5.099 -0.842 1.00 0.13 H new ATOM 0 HB3 LYS A 679 -19.391 -5.767 -2.458 1.00 0.13 H new ATOM 0 HG2 LYS A 679 -20.797 -7.698 -1.738 1.00 3.53 H new ATOM 0 HG3 LYS A 679 -20.942 -6.981 -0.146 1.00 3.53 H new ATOM 0 HD2 LYS A 679 -21.944 -4.934 -1.172 1.00 62.33 H new ATOM 0 HD3 LYS A 679 -21.825 -5.678 -2.754 1.00 62.33 H new ATOM 0 HE2 LYS A 679 -23.301 -7.533 -1.978 1.00 64.34 H new ATOM 0 HE3 LYS A 679 -23.440 -6.756 -0.414 1.00 64.34 H new ATOM 0 HZ1 LYS A 679 -25.314 -6.234 -1.820 1.00 74.00 H new ATOM 0 HZ2 LYS A 679 -24.425 -4.826 -1.490 1.00 74.00 H new ATOM 0 HZ3 LYS A 679 -24.290 -5.579 -3.006 1.00 74.00 H new ATOM 49 N LYS A 680 -15.945 -6.241 -0.535 1.00 40.34 N ATOM 50 CA LYS A 680 -14.680 -5.531 -0.656 1.00 34.33 C ATOM 51 C LYS A 680 -14.863 -4.049 -0.472 1.00 3.41 C ATOM 52 O LYS A 680 -15.229 -3.321 -1.401 1.00 62.13 O ATOM 53 CB LYS A 680 -13.925 -5.855 -1.956 1.00 23.23 C ATOM 54 CG LYS A 680 -13.547 -7.314 -2.083 1.00 20.04 C ATOM 55 CD LYS A 680 -12.756 -7.577 -3.347 1.00 21.21 C ATOM 56 CE LYS A 680 -12.397 -9.047 -3.473 1.00 12.10 C ATOM 57 NZ LYS A 680 -11.597 -9.532 -2.325 1.00 3.02 N ATOM 0 H LYS A 680 -15.964 -6.899 0.244 1.00 40.34 H new ATOM 0 HA LYS A 680 -14.047 -5.894 0.154 1.00 34.33 H new ATOM 0 HB2 LYS A 680 -14.544 -5.572 -2.807 1.00 23.23 H new ATOM 0 HB3 LYS A 680 -13.021 -5.248 -2.004 1.00 23.23 H new ATOM 0 HG2 LYS A 680 -12.959 -7.615 -1.216 1.00 20.04 H new ATOM 0 HG3 LYS A 680 -14.449 -7.925 -2.084 1.00 20.04 H new ATOM 0 HD2 LYS A 680 -13.338 -7.266 -4.215 1.00 21.21 H new ATOM 0 HD3 LYS A 680 -11.846 -6.977 -3.342 1.00 21.21 H new ATOM 0 HE2 LYS A 680 -13.311 -9.636 -3.551 1.00 12.10 H new ATOM 0 HE3 LYS A 680 -11.837 -9.204 -4.395 1.00 12.10 H new ATOM 0 HZ1 LYS A 680 -11.178 -10.455 -2.559 1.00 3.02 H new ATOM 0 HZ2 LYS A 680 -10.839 -8.851 -2.117 1.00 3.02 H new ATOM 0 HZ3 LYS A 680 -12.211 -9.632 -1.491 1.00 3.02 H new ATOM 71 N ASP A 681 -14.646 -3.615 0.735 1.00 64.45 N ATOM 72 CA ASP A 681 -14.757 -2.225 1.099 1.00 23.03 C ATOM 73 C ASP A 681 -13.609 -1.487 0.464 1.00 44.53 C ATOM 74 O ASP A 681 -12.497 -1.497 0.983 1.00 11.44 O ATOM 75 CB ASP A 681 -14.702 -2.075 2.625 1.00 40.45 C ATOM 76 CG ASP A 681 -15.778 -2.865 3.331 1.00 65.51 C ATOM 77 OD1 ASP A 681 -15.653 -4.113 3.420 1.00 75.24 O ATOM 78 OD2 ASP A 681 -16.757 -2.261 3.814 1.00 54.14 O ATOM 0 H ASP A 681 -14.382 -4.224 1.510 1.00 64.45 H new ATOM 0 HA ASP A 681 -15.706 -1.817 0.752 1.00 23.03 H new ATOM 0 HB2 ASP A 681 -13.725 -2.401 2.982 1.00 40.45 H new ATOM 0 HB3 ASP A 681 -14.801 -1.021 2.886 1.00 40.45 H new ATOM 83 N THR A 682 -13.876 -0.872 -0.673 1.00 14.52 N ATOM 84 CA THR A 682 -12.867 -0.245 -1.497 1.00 51.03 C ATOM 85 C THR A 682 -12.034 0.786 -0.724 1.00 61.21 C ATOM 86 O THR A 682 -10.811 0.874 -0.906 1.00 34.22 O ATOM 87 CB THR A 682 -13.525 0.394 -2.730 1.00 52.23 C ATOM 88 OG1 THR A 682 -14.358 -0.598 -3.362 1.00 74.00 O ATOM 89 CG2 THR A 682 -12.472 0.853 -3.728 1.00 64.11 C ATOM 0 H THR A 682 -14.819 -0.794 -1.054 1.00 14.52 H new ATOM 0 HA THR A 682 -12.174 -1.022 -1.819 1.00 51.03 H new ATOM 0 HB THR A 682 -14.109 1.259 -2.415 1.00 52.23 H new ATOM 0 HG1 THR A 682 -14.789 -0.209 -4.151 1.00 74.00 H new ATOM 0 HG21 THR A 682 -12.961 1.302 -4.592 1.00 64.11 H new ATOM 0 HG22 THR A 682 -11.820 1.589 -3.257 1.00 64.11 H new ATOM 0 HG23 THR A 682 -11.879 -0.003 -4.051 1.00 64.11 H new ATOM 97 N GLU A 683 -12.678 1.509 0.167 1.00 40.40 N ATOM 98 CA GLU A 683 -11.994 2.514 0.957 1.00 62.51 C ATOM 99 C GLU A 683 -11.009 1.851 1.908 1.00 32.22 C ATOM 100 O GLU A 683 -9.880 2.311 2.070 1.00 41.23 O ATOM 101 CB GLU A 683 -12.993 3.348 1.730 1.00 20.55 C ATOM 102 CG GLU A 683 -14.016 4.026 0.847 1.00 74.31 C ATOM 103 CD GLU A 683 -15.015 4.807 1.632 1.00 72.32 C ATOM 104 OE1 GLU A 683 -15.915 4.187 2.252 1.00 71.04 O ATOM 105 OE2 GLU A 683 -14.925 6.052 1.653 1.00 24.33 O ATOM 0 H GLU A 683 -13.675 1.421 0.364 1.00 40.40 H new ATOM 0 HA GLU A 683 -11.443 3.172 0.285 1.00 62.51 H new ATOM 0 HB2 GLU A 683 -13.509 2.711 2.449 1.00 20.55 H new ATOM 0 HB3 GLU A 683 -12.458 4.106 2.302 1.00 20.55 H new ATOM 0 HG2 GLU A 683 -13.506 4.690 0.149 1.00 74.31 H new ATOM 0 HG3 GLU A 683 -14.533 3.274 0.251 1.00 74.31 H new ATOM 112 N THR A 684 -11.426 0.748 2.500 1.00 0.40 N ATOM 113 CA THR A 684 -10.594 0.012 3.416 1.00 52.41 C ATOM 114 C THR A 684 -9.449 -0.661 2.652 1.00 3.43 C ATOM 115 O THR A 684 -8.331 -0.751 3.145 1.00 5.44 O ATOM 116 CB THR A 684 -11.427 -1.029 4.174 1.00 73.53 C ATOM 117 OG1 THR A 684 -12.560 -0.360 4.753 1.00 52.10 O ATOM 118 CG2 THR A 684 -10.608 -1.666 5.288 1.00 13.12 C ATOM 0 H THR A 684 -12.351 0.342 2.356 1.00 0.40 H new ATOM 0 HA THR A 684 -10.169 0.702 4.145 1.00 52.41 H new ATOM 0 HB THR A 684 -11.743 -1.811 3.484 1.00 73.53 H new ATOM 0 HG1 THR A 684 -13.108 -1.009 5.242 1.00 52.10 H new ATOM 0 HG21 THR A 684 -11.218 -2.401 5.813 1.00 13.12 H new ATOM 0 HG22 THR A 684 -9.734 -2.158 4.861 1.00 13.12 H new ATOM 0 HG23 THR A 684 -10.285 -0.896 5.988 1.00 13.12 H new ATOM 126 N VAL A 685 -9.743 -1.088 1.433 1.00 54.14 N ATOM 127 CA VAL A 685 -8.753 -1.672 0.542 1.00 42.41 C ATOM 128 C VAL A 685 -7.636 -0.687 0.282 1.00 73.22 C ATOM 129 O VAL A 685 -6.478 -1.002 0.436 1.00 20.00 O ATOM 130 CB VAL A 685 -9.385 -2.101 -0.796 1.00 53.54 C ATOM 131 CG1 VAL A 685 -8.328 -2.611 -1.767 1.00 53.33 C ATOM 132 CG2 VAL A 685 -10.410 -3.174 -0.548 1.00 61.34 C ATOM 0 H VAL A 685 -10.680 -1.039 1.033 1.00 54.14 H new ATOM 0 HA VAL A 685 -8.350 -2.559 1.032 1.00 42.41 H new ATOM 0 HB VAL A 685 -9.864 -1.230 -1.244 1.00 53.54 H new ATOM 0 HG11 VAL A 685 -8.805 -2.906 -2.702 1.00 53.33 H new ATOM 0 HG12 VAL A 685 -7.603 -1.821 -1.963 1.00 53.33 H new ATOM 0 HG13 VAL A 685 -7.819 -3.471 -1.332 1.00 53.33 H new ATOM 0 HG21 VAL A 685 -10.856 -3.477 -1.495 1.00 61.34 H new ATOM 0 HG22 VAL A 685 -9.930 -4.034 -0.082 1.00 61.34 H new ATOM 0 HG23 VAL A 685 -11.187 -2.789 0.113 1.00 61.34 H new ATOM 142 N TYR A 686 -7.980 0.519 -0.080 1.00 13.24 N ATOM 143 CA TYR A 686 -6.961 1.504 -0.290 1.00 51.23 C ATOM 144 C TYR A 686 -6.302 1.940 0.995 1.00 63.41 C ATOM 145 O TYR A 686 -5.164 2.351 0.987 1.00 35.32 O ATOM 146 CB TYR A 686 -7.417 2.651 -1.171 1.00 14.34 C ATOM 147 CG TYR A 686 -7.559 2.196 -2.596 1.00 13.32 C ATOM 148 CD1 TYR A 686 -6.428 1.993 -3.366 1.00 64.12 C ATOM 149 CD2 TYR A 686 -8.794 1.944 -3.167 1.00 2.45 C ATOM 150 CE1 TYR A 686 -6.514 1.553 -4.664 1.00 51.34 C ATOM 151 CE2 TYR A 686 -8.896 1.503 -4.474 1.00 11.34 C ATOM 152 CZ TYR A 686 -7.748 1.309 -5.217 1.00 10.44 C ATOM 153 OH TYR A 686 -7.834 0.853 -6.523 1.00 34.22 O ATOM 0 H TYR A 686 -8.937 0.837 -0.232 1.00 13.24 H new ATOM 0 HA TYR A 686 -6.173 1.014 -0.862 1.00 51.23 H new ATOM 0 HB2 TYR A 686 -8.370 3.038 -0.810 1.00 14.34 H new ATOM 0 HB3 TYR A 686 -6.699 3.469 -1.114 1.00 14.34 H new ATOM 0 HD1 TYR A 686 -5.456 2.185 -2.937 1.00 64.12 H new ATOM 0 HD2 TYR A 686 -9.691 2.094 -2.584 1.00 2.45 H new ATOM 0 HE1 TYR A 686 -5.618 1.400 -5.246 1.00 51.34 H new ATOM 0 HE2 TYR A 686 -9.865 1.312 -4.910 1.00 11.34 H new ATOM 0 HH TYR A 686 -8.776 0.728 -6.765 1.00 34.22 H new ATOM 163 N SER A 687 -7.000 1.790 2.094 1.00 22.43 N ATOM 164 CA SER A 687 -6.433 2.097 3.395 1.00 61.24 C ATOM 165 C SER A 687 -5.377 1.041 3.784 1.00 73.15 C ATOM 166 O SER A 687 -4.311 1.383 4.309 1.00 44.01 O ATOM 167 CB SER A 687 -7.533 2.221 4.452 1.00 43.24 C ATOM 168 OG SER A 687 -8.461 3.249 4.091 1.00 4.51 O ATOM 0 H SER A 687 -7.964 1.457 2.119 1.00 22.43 H new ATOM 0 HA SER A 687 -5.930 3.062 3.340 1.00 61.24 H new ATOM 0 HB2 SER A 687 -8.056 1.270 4.554 1.00 43.24 H new ATOM 0 HB3 SER A 687 -7.090 2.447 5.422 1.00 43.24 H new ATOM 0 HG SER A 687 -9.074 2.911 3.405 1.00 4.51 H new ATOM 174 N GLU A 688 -5.658 -0.239 3.492 1.00 53.41 N ATOM 175 CA GLU A 688 -4.679 -1.284 3.733 1.00 32.24 C ATOM 176 C GLU A 688 -3.508 -1.133 2.769 1.00 72.43 C ATOM 177 O GLU A 688 -2.365 -1.416 3.123 1.00 15.34 O ATOM 178 CB GLU A 688 -5.283 -2.711 3.709 1.00 53.04 C ATOM 179 CG GLU A 688 -5.994 -3.078 2.435 1.00 2.32 C ATOM 180 CD GLU A 688 -6.488 -4.498 2.397 1.00 24.45 C ATOM 181 OE1 GLU A 688 -7.635 -4.758 2.812 1.00 4.40 O ATOM 182 OE2 GLU A 688 -5.748 -5.384 1.926 1.00 32.33 O ATOM 0 H GLU A 688 -6.541 -0.561 3.096 1.00 53.41 H new ATOM 0 HA GLU A 688 -4.309 -1.156 4.750 1.00 32.24 H new ATOM 0 HB2 GLU A 688 -4.483 -3.431 3.882 1.00 53.04 H new ATOM 0 HB3 GLU A 688 -5.983 -2.807 4.539 1.00 53.04 H new ATOM 0 HG2 GLU A 688 -6.841 -2.406 2.297 1.00 2.32 H new ATOM 0 HG3 GLU A 688 -5.319 -2.917 1.595 1.00 2.32 H new ATOM 189 N VAL A 689 -3.799 -0.647 1.557 1.00 34.12 N ATOM 190 CA VAL A 689 -2.761 -0.336 0.582 1.00 21.22 C ATOM 191 C VAL A 689 -1.885 0.803 1.102 1.00 65.14 C ATOM 192 O VAL A 689 -0.685 0.779 0.941 1.00 55.11 O ATOM 193 CB VAL A 689 -3.340 0.021 -0.823 1.00 11.22 C ATOM 194 CG1 VAL A 689 -2.241 0.468 -1.778 1.00 43.22 C ATOM 195 CG2 VAL A 689 -4.054 -1.180 -1.412 1.00 50.33 C ATOM 0 H VAL A 689 -4.748 -0.462 1.233 1.00 34.12 H new ATOM 0 HA VAL A 689 -2.158 -1.235 0.453 1.00 21.22 H new ATOM 0 HB VAL A 689 -4.043 0.844 -0.692 1.00 11.22 H new ATOM 0 HG11 VAL A 689 -2.677 0.709 -2.747 1.00 43.22 H new ATOM 0 HG12 VAL A 689 -1.744 1.350 -1.374 1.00 43.22 H new ATOM 0 HG13 VAL A 689 -1.514 -0.335 -1.897 1.00 43.22 H new ATOM 0 HG21 VAL A 689 -4.454 -0.921 -2.392 1.00 50.33 H new ATOM 0 HG22 VAL A 689 -3.351 -2.007 -1.514 1.00 50.33 H new ATOM 0 HG23 VAL A 689 -4.870 -1.477 -0.754 1.00 50.33 H new ATOM 205 N ARG A 690 -2.495 1.778 1.765 1.00 51.20 N ATOM 206 CA ARG A 690 -1.760 2.879 2.355 1.00 45.25 C ATOM 207 C ARG A 690 -0.800 2.396 3.438 1.00 65.30 C ATOM 208 O ARG A 690 0.238 2.997 3.669 1.00 52.31 O ATOM 209 CB ARG A 690 -2.713 3.957 2.878 1.00 51.25 C ATOM 210 CG ARG A 690 -3.496 4.674 1.784 1.00 24.32 C ATOM 211 CD ARG A 690 -2.571 5.340 0.772 1.00 33.40 C ATOM 212 NE ARG A 690 -3.314 5.970 -0.320 1.00 2.23 N ATOM 213 CZ ARG A 690 -2.747 6.584 -1.364 1.00 71.14 C ATOM 214 NH1 ARG A 690 -1.424 6.681 -1.445 1.00 2.43 N ATOM 215 NH2 ARG A 690 -3.502 7.096 -2.325 1.00 2.14 N ATOM 0 H ARG A 690 -3.504 1.824 1.906 1.00 51.20 H new ATOM 0 HA ARG A 690 -1.152 3.331 1.572 1.00 45.25 H new ATOM 0 HB2 ARG A 690 -3.416 3.500 3.574 1.00 51.25 H new ATOM 0 HB3 ARG A 690 -2.139 4.693 3.442 1.00 51.25 H new ATOM 0 HG2 ARG A 690 -4.142 3.961 1.272 1.00 24.32 H new ATOM 0 HG3 ARG A 690 -4.145 5.426 2.234 1.00 24.32 H new ATOM 0 HD2 ARG A 690 -1.962 6.091 1.276 1.00 33.40 H new ATOM 0 HD3 ARG A 690 -1.886 4.597 0.363 1.00 33.40 H new ATOM 0 HE ARG A 690 -4.333 5.939 -0.282 1.00 2.23 H new ATOM 0 HH11 ARG A 690 -0.838 6.286 -0.709 1.00 2.43 H new ATOM 0 HH12 ARG A 690 -0.995 7.150 -2.243 1.00 2.43 H new ATOM 0 HH21 ARG A 690 -4.518 7.022 -2.269 1.00 2.14 H new ATOM 0 HH22 ARG A 690 -3.067 7.564 -3.120 1.00 2.14 H new ATOM 229 N LYS A 691 -1.153 1.315 4.103 1.00 41.34 N ATOM 230 CA LYS A 691 -0.251 0.694 5.057 1.00 45.32 C ATOM 231 C LYS A 691 0.817 -0.100 4.313 1.00 21.25 C ATOM 232 O LYS A 691 1.961 -0.183 4.743 1.00 1.12 O ATOM 233 CB LYS A 691 -1.014 -0.207 6.025 1.00 41.12 C ATOM 234 CG LYS A 691 -2.031 0.526 6.883 1.00 44.25 C ATOM 235 CD LYS A 691 -1.370 1.562 7.779 1.00 55.13 C ATOM 236 CE LYS A 691 -2.394 2.300 8.632 1.00 0.23 C ATOM 237 NZ LYS A 691 -3.164 1.385 9.507 1.00 44.33 N ATOM 0 H LYS A 691 -2.054 0.848 4.003 1.00 41.34 H new ATOM 0 HA LYS A 691 0.231 1.477 5.642 1.00 45.32 H new ATOM 0 HB2 LYS A 691 -1.526 -0.983 5.456 1.00 41.12 H new ATOM 0 HB3 LYS A 691 -0.299 -0.710 6.677 1.00 41.12 H new ATOM 0 HG2 LYS A 691 -2.764 1.015 6.241 1.00 44.25 H new ATOM 0 HG3 LYS A 691 -2.574 -0.192 7.497 1.00 44.25 H new ATOM 0 HD2 LYS A 691 -0.641 1.073 8.426 1.00 55.13 H new ATOM 0 HD3 LYS A 691 -0.822 2.278 7.166 1.00 55.13 H new ATOM 0 HE2 LYS A 691 -1.884 3.042 9.246 1.00 0.23 H new ATOM 0 HE3 LYS A 691 -3.082 2.842 7.982 1.00 0.23 H new ATOM 0 HZ1 LYS A 691 -3.684 1.939 10.217 1.00 44.33 H new ATOM 0 HZ2 LYS A 691 -3.838 0.840 8.932 1.00 44.33 H new ATOM 0 HZ3 LYS A 691 -2.512 0.733 9.987 1.00 44.33 H new ATOM 251 N ALA A 692 0.428 -0.653 3.182 1.00 54.12 N ATOM 252 CA ALA A 692 1.307 -1.456 2.353 1.00 44.40 C ATOM 253 C ALA A 692 2.357 -0.606 1.640 1.00 71.21 C ATOM 254 O ALA A 692 3.446 -1.073 1.388 1.00 24.24 O ATOM 255 CB ALA A 692 0.500 -2.253 1.346 1.00 72.00 C ATOM 0 H ALA A 692 -0.516 -0.557 2.808 1.00 54.12 H new ATOM 0 HA ALA A 692 1.837 -2.144 3.011 1.00 44.40 H new ATOM 0 HB1 ALA A 692 1.173 -2.850 0.731 1.00 72.00 H new ATOM 0 HB2 ALA A 692 -0.191 -2.911 1.873 1.00 72.00 H new ATOM 0 HB3 ALA A 692 -0.063 -1.571 0.709 1.00 72.00 H new ATOM 261 N VAL A 693 2.014 0.636 1.325 1.00 3.41 N ATOM 262 CA VAL A 693 2.930 1.569 0.652 1.00 72.31 C ATOM 263 C VAL A 693 4.323 1.654 1.356 1.00 42.35 C ATOM 264 O VAL A 693 5.343 1.294 0.744 1.00 63.21 O ATOM 265 CB VAL A 693 2.293 2.994 0.460 1.00 3.45 C ATOM 266 CG1 VAL A 693 3.297 3.970 -0.117 1.00 53.54 C ATOM 267 CG2 VAL A 693 1.083 2.918 -0.456 1.00 62.22 C ATOM 0 H VAL A 693 1.096 1.032 1.525 1.00 3.41 H new ATOM 0 HA VAL A 693 3.103 1.157 -0.342 1.00 72.31 H new ATOM 0 HB VAL A 693 1.983 3.349 1.443 1.00 3.45 H new ATOM 0 HG11 VAL A 693 2.827 4.946 -0.238 1.00 53.54 H new ATOM 0 HG12 VAL A 693 4.148 4.058 0.558 1.00 53.54 H new ATOM 0 HG13 VAL A 693 3.639 3.609 -1.087 1.00 53.54 H new ATOM 0 HG21 VAL A 693 0.655 3.913 -0.577 1.00 62.22 H new ATOM 0 HG22 VAL A 693 1.387 2.533 -1.429 1.00 62.22 H new ATOM 0 HG23 VAL A 693 0.337 2.253 -0.020 1.00 62.22 H new ATOM 277 N PRO A 694 4.403 2.091 2.645 1.00 52.11 N ATOM 278 CA PRO A 694 5.682 2.164 3.354 1.00 74.42 C ATOM 279 C PRO A 694 6.209 0.769 3.701 1.00 11.33 C ATOM 280 O PRO A 694 7.404 0.563 3.859 1.00 65.21 O ATOM 281 CB PRO A 694 5.347 2.941 4.623 1.00 51.40 C ATOM 282 CG PRO A 694 3.908 2.674 4.857 1.00 1.33 C ATOM 283 CD PRO A 694 3.288 2.559 3.500 1.00 31.40 C ATOM 0 HA PRO A 694 6.462 2.634 2.756 1.00 74.42 H new ATOM 0 HB2 PRO A 694 5.954 2.607 5.464 1.00 51.40 H new ATOM 0 HB3 PRO A 694 5.537 4.007 4.497 1.00 51.40 H new ATOM 0 HG2 PRO A 694 3.769 1.757 5.429 1.00 1.33 H new ATOM 0 HG3 PRO A 694 3.449 3.480 5.429 1.00 1.33 H new ATOM 0 HD2 PRO A 694 2.457 1.853 3.497 1.00 31.40 H new ATOM 0 HD3 PRO A 694 2.894 3.516 3.157 1.00 31.40 H new ATOM 291 N ASP A 695 5.306 -0.179 3.774 1.00 63.24 N ATOM 292 CA ASP A 695 5.647 -1.552 4.103 1.00 61.14 C ATOM 293 C ASP A 695 6.428 -2.172 2.955 1.00 43.23 C ATOM 294 O ASP A 695 7.429 -2.869 3.156 1.00 60.12 O ATOM 295 CB ASP A 695 4.369 -2.344 4.355 1.00 31.42 C ATOM 296 CG ASP A 695 4.624 -3.750 4.808 1.00 13.32 C ATOM 297 OD1 ASP A 695 4.779 -3.957 6.029 1.00 33.11 O ATOM 298 OD2 ASP A 695 4.663 -4.668 3.957 1.00 43.34 O ATOM 0 H ASP A 695 4.311 -0.025 3.608 1.00 63.24 H new ATOM 0 HA ASP A 695 6.263 -1.572 5.002 1.00 61.14 H new ATOM 0 HB2 ASP A 695 3.773 -1.829 5.108 1.00 31.42 H new ATOM 0 HB3 ASP A 695 3.777 -2.366 3.440 1.00 31.42 H new ATOM 303 N ALA A 696 5.972 -1.885 1.751 1.00 4.20 N ATOM 304 CA ALA A 696 6.581 -2.376 0.543 1.00 71.11 C ATOM 305 C ALA A 696 7.927 -1.723 0.301 1.00 33.54 C ATOM 306 O ALA A 696 8.802 -2.317 -0.292 1.00 23.04 O ATOM 307 CB ALA A 696 5.662 -2.151 -0.645 1.00 34.33 C ATOM 0 H ALA A 696 5.156 -1.295 1.589 1.00 4.20 H new ATOM 0 HA ALA A 696 6.744 -3.447 0.662 1.00 71.11 H new ATOM 0 HB1 ALA A 696 6.138 -2.528 -1.550 1.00 34.33 H new ATOM 0 HB2 ALA A 696 4.722 -2.678 -0.483 1.00 34.33 H new ATOM 0 HB3 ALA A 696 5.465 -1.085 -0.756 1.00 34.33 H new ATOM 313 N VAL A 697 8.097 -0.493 0.705 1.00 62.13 N ATOM 314 CA VAL A 697 9.401 0.104 0.531 1.00 32.35 C ATOM 315 C VAL A 697 10.391 -0.469 1.560 1.00 75.41 C ATOM 316 O VAL A 697 11.520 -0.822 1.223 1.00 14.12 O ATOM 317 CB VAL A 697 9.407 1.664 0.529 1.00 1.34 C ATOM 318 CG1 VAL A 697 8.947 2.253 1.838 1.00 20.01 C ATOM 319 CG2 VAL A 697 10.778 2.147 0.187 1.00 10.32 C ATOM 0 H VAL A 697 7.387 0.097 1.139 1.00 62.13 H new ATOM 0 HA VAL A 697 9.726 -0.169 -0.473 1.00 32.35 H new ATOM 0 HB VAL A 697 8.692 1.999 -0.223 1.00 1.34 H new ATOM 0 HG11 VAL A 697 8.972 3.341 1.776 1.00 20.01 H new ATOM 0 HG12 VAL A 697 7.929 1.925 2.047 1.00 20.01 H new ATOM 0 HG13 VAL A 697 9.607 1.919 2.639 1.00 20.01 H new ATOM 0 HG21 VAL A 697 10.790 3.237 0.184 1.00 10.32 H new ATOM 0 HG22 VAL A 697 11.489 1.779 0.927 1.00 10.32 H new ATOM 0 HG23 VAL A 697 11.058 1.778 -0.800 1.00 10.32 H new ATOM 329 N GLU A 698 9.915 -0.605 2.792 1.00 20.35 N ATOM 330 CA GLU A 698 10.657 -1.109 3.908 1.00 71.41 C ATOM 331 C GLU A 698 11.244 -2.509 3.622 1.00 63.11 C ATOM 332 O GLU A 698 12.350 -2.830 4.066 1.00 14.11 O ATOM 333 CB GLU A 698 9.717 -1.144 5.110 1.00 71.21 C ATOM 334 CG GLU A 698 10.365 -1.549 6.382 1.00 13.03 C ATOM 335 CD GLU A 698 9.412 -1.527 7.555 1.00 45.21 C ATOM 336 OE1 GLU A 698 8.737 -2.541 7.808 1.00 25.30 O ATOM 337 OE2 GLU A 698 9.323 -0.490 8.252 1.00 73.22 O ATOM 0 H GLU A 698 8.958 -0.352 3.036 1.00 20.35 H new ATOM 0 HA GLU A 698 11.508 -0.458 4.108 1.00 71.41 H new ATOM 0 HB2 GLU A 698 9.275 -0.156 5.240 1.00 71.21 H new ATOM 0 HB3 GLU A 698 8.900 -1.833 4.897 1.00 71.21 H new ATOM 0 HG2 GLU A 698 10.776 -2.552 6.272 1.00 13.03 H new ATOM 0 HG3 GLU A 698 11.202 -0.882 6.587 1.00 13.03 H new ATOM 344 N SER A 699 10.517 -3.316 2.858 1.00 75.32 N ATOM 345 CA SER A 699 10.966 -4.648 2.507 1.00 73.21 C ATOM 346 C SER A 699 12.173 -4.617 1.563 1.00 55.10 C ATOM 347 O SER A 699 12.980 -5.531 1.557 1.00 1.54 O ATOM 348 CB SER A 699 9.820 -5.459 1.916 1.00 64.24 C ATOM 349 OG SER A 699 9.202 -4.758 0.864 1.00 12.25 O ATOM 0 H SER A 699 9.608 -3.064 2.470 1.00 75.32 H new ATOM 0 HA SER A 699 11.296 -5.138 3.423 1.00 73.21 H new ATOM 0 HB2 SER A 699 10.196 -6.415 1.551 1.00 64.24 H new ATOM 0 HB3 SER A 699 9.087 -5.680 2.692 1.00 64.24 H new ATOM 0 HG SER A 699 8.470 -5.297 0.497 1.00 12.25 H new ATOM 355 N ARG A 700 12.277 -3.575 0.762 1.00 0.00 N ATOM 356 CA ARG A 700 13.418 -3.430 -0.128 1.00 45.03 C ATOM 357 C ARG A 700 14.655 -2.885 0.553 1.00 53.42 C ATOM 358 O ARG A 700 15.769 -3.071 0.052 1.00 75.31 O ATOM 359 CB ARG A 700 13.097 -2.686 -1.420 1.00 3.31 C ATOM 360 CG ARG A 700 12.713 -3.602 -2.586 1.00 43.54 C ATOM 361 CD ARG A 700 11.481 -4.466 -2.327 1.00 31.41 C ATOM 362 NE ARG A 700 10.250 -3.680 -2.214 1.00 53.11 N ATOM 363 CZ ARG A 700 9.235 -3.726 -3.093 1.00 54.42 C ATOM 364 NH1 ARG A 700 9.287 -4.511 -4.145 1.00 21.33 N ATOM 365 NH2 ARG A 700 8.159 -2.984 -2.896 1.00 2.42 N ATOM 0 H ARG A 700 11.593 -2.821 0.707 1.00 0.00 H new ATOM 0 HA ARG A 700 13.661 -4.451 -0.421 1.00 45.03 H new ATOM 0 HB2 ARG A 700 12.279 -1.990 -1.233 1.00 3.31 H new ATOM 0 HB3 ARG A 700 13.963 -2.090 -1.709 1.00 3.31 H new ATOM 0 HG2 ARG A 700 12.534 -2.990 -3.470 1.00 43.54 H new ATOM 0 HG3 ARG A 700 13.557 -4.253 -2.815 1.00 43.54 H new ATOM 0 HD2 ARG A 700 11.373 -5.188 -3.136 1.00 31.41 H new ATOM 0 HD3 ARG A 700 11.629 -5.035 -1.409 1.00 31.41 H new ATOM 0 HE ARG A 700 10.157 -3.055 -1.413 1.00 53.11 H new ATOM 0 HH11 ARG A 700 10.106 -5.097 -4.304 1.00 21.33 H new ATOM 0 HH12 ARG A 700 8.508 -4.534 -4.803 1.00 21.33 H new ATOM 0 HH21 ARG A 700 8.100 -2.378 -2.078 1.00 2.42 H new ATOM 0 HH22 ARG A 700 7.387 -3.018 -3.562 1.00 2.42 H new ATOM 379 N TYR A 701 14.483 -2.222 1.682 1.00 12.12 N ATOM 380 CA TYR A 701 15.626 -1.716 2.426 1.00 22.15 C ATOM 381 C TYR A 701 16.455 -2.844 3.024 1.00 44.01 C ATOM 382 O TYR A 701 16.130 -3.362 4.105 1.00 23.22 O ATOM 383 CB TYR A 701 15.234 -0.749 3.539 1.00 43.44 C ATOM 384 CG TYR A 701 14.813 0.639 3.122 1.00 72.21 C ATOM 385 CD1 TYR A 701 15.749 1.648 3.027 1.00 43.23 C ATOM 386 CD2 TYR A 701 13.493 0.960 2.891 1.00 12.41 C ATOM 387 CE1 TYR A 701 15.386 2.928 2.697 1.00 4.14 C ATOM 388 CE2 TYR A 701 13.122 2.238 2.575 1.00 1.22 C ATOM 389 CZ TYR A 701 14.068 3.219 2.478 1.00 52.33 C ATOM 390 OH TYR A 701 13.686 4.513 2.166 1.00 14.20 O ATOM 0 H TYR A 701 13.575 -2.022 2.102 1.00 12.12 H new ATOM 0 HA TYR A 701 16.223 -1.171 1.694 1.00 22.15 H new ATOM 0 HB2 TYR A 701 14.416 -1.196 4.104 1.00 43.44 H new ATOM 0 HB3 TYR A 701 16.079 -0.656 4.221 1.00 43.44 H new ATOM 0 HD1 TYR A 701 16.789 1.425 3.216 1.00 43.23 H new ATOM 0 HD2 TYR A 701 12.739 0.190 2.961 1.00 12.41 H new ATOM 0 HE1 TYR A 701 16.135 3.701 2.611 1.00 4.14 H new ATOM 0 HE2 TYR A 701 12.082 2.472 2.402 1.00 1.22 H new ATOM 0 HH TYR A 701 12.715 4.546 2.041 1.00 14.20 H new ATOM 400 N SER A 702 17.503 -3.246 2.296 1.00 1.24 N ATOM 401 CA SER A 702 18.499 -4.272 2.714 1.00 72.44 C ATOM 402 C SER A 702 17.871 -5.622 3.106 1.00 44.35 C ATOM 403 O SER A 702 18.502 -6.451 3.765 1.00 11.14 O ATOM 404 CB SER A 702 19.404 -3.720 3.842 1.00 5.43 C ATOM 405 OG SER A 702 18.655 -3.283 4.974 1.00 42.21 O ATOM 0 H SER A 702 17.698 -2.863 1.371 1.00 1.24 H new ATOM 0 HA SER A 702 19.112 -4.482 1.838 1.00 72.44 H new ATOM 0 HB2 SER A 702 20.107 -4.493 4.151 1.00 5.43 H new ATOM 0 HB3 SER A 702 19.994 -2.888 3.457 1.00 5.43 H new ATOM 0 HG SER A 702 17.734 -3.610 4.903 1.00 42.21 H new ATOM 411 N ARG A 703 16.672 -5.852 2.660 1.00 13.45 N ATOM 412 CA ARG A 703 15.947 -7.031 3.018 1.00 73.23 C ATOM 413 C ARG A 703 15.554 -7.780 1.749 1.00 20.34 C ATOM 414 O ARG A 703 15.529 -7.192 0.662 1.00 12.43 O ATOM 415 CB ARG A 703 14.701 -6.609 3.793 1.00 52.55 C ATOM 416 CG ARG A 703 13.894 -7.738 4.391 1.00 10.21 C ATOM 417 CD ARG A 703 12.609 -7.216 5.006 1.00 2.32 C ATOM 418 NE ARG A 703 12.844 -6.147 5.993 1.00 70.21 N ATOM 419 CZ ARG A 703 11.896 -5.601 6.760 1.00 21.11 C ATOM 420 NH1 ARG A 703 10.655 -6.062 6.717 1.00 34.21 N ATOM 421 NH2 ARG A 703 12.200 -4.592 7.572 1.00 51.02 N ATOM 0 H ARG A 703 16.168 -5.223 2.035 1.00 13.45 H new ATOM 0 HA ARG A 703 16.557 -7.688 3.637 1.00 73.23 H new ATOM 0 HB2 ARG A 703 15.004 -5.937 4.596 1.00 52.55 H new ATOM 0 HB3 ARG A 703 14.055 -6.038 3.126 1.00 52.55 H new ATOM 0 HG2 ARG A 703 13.661 -8.472 3.620 1.00 10.21 H new ATOM 0 HG3 ARG A 703 14.484 -8.250 5.151 1.00 10.21 H new ATOM 0 HD2 ARG A 703 11.960 -6.839 4.216 1.00 2.32 H new ATOM 0 HD3 ARG A 703 12.081 -8.039 5.487 1.00 2.32 H new ATOM 0 HE ARG A 703 13.797 -5.800 6.098 1.00 70.21 H new ATOM 0 HH11 ARG A 703 10.420 -6.837 6.097 1.00 34.21 H new ATOM 0 HH12 ARG A 703 9.934 -5.642 7.304 1.00 34.21 H new ATOM 0 HH21 ARG A 703 13.155 -4.237 7.608 1.00 51.02 H new ATOM 0 HH22 ARG A 703 11.478 -4.174 8.158 1.00 51.02 H new ATOM 435 N THR A 704 15.274 -9.057 1.878 1.00 71.21 N ATOM 436 CA THR A 704 14.857 -9.843 0.785 1.00 11.13 C ATOM 437 C THR A 704 13.390 -9.508 0.472 1.00 13.14 C ATOM 438 O THR A 704 12.571 -9.280 1.391 1.00 11.23 O ATOM 439 CB THR A 704 14.999 -11.321 1.131 1.00 22.13 C ATOM 440 OG1 THR A 704 16.349 -11.589 1.588 1.00 42.13 O ATOM 441 CG2 THR A 704 14.702 -12.187 -0.063 1.00 64.35 C ATOM 0 H THR A 704 15.336 -9.565 2.760 1.00 71.21 H new ATOM 0 HA THR A 704 15.475 -9.631 -0.088 1.00 11.13 H new ATOM 0 HB THR A 704 14.283 -11.555 1.919 1.00 22.13 H new ATOM 0 HG1 THR A 704 16.436 -12.539 1.811 1.00 42.13 H new ATOM 0 HG21 THR A 704 14.811 -13.236 0.212 1.00 64.35 H new ATOM 0 HG22 THR A 704 13.682 -12.004 -0.400 1.00 64.35 H new ATOM 0 HG23 THR A 704 15.398 -11.949 -0.867 1.00 64.35 H new ATOM 449 N GLU A 705 13.077 -9.500 -0.776 1.00 72.23 N ATOM 450 CA GLU A 705 11.777 -9.099 -1.251 1.00 42.41 C ATOM 451 C GLU A 705 10.787 -10.268 -1.169 1.00 53.41 C ATOM 452 O GLU A 705 9.930 -10.307 -0.273 1.00 71.13 O ATOM 453 CB GLU A 705 11.918 -8.550 -2.675 1.00 21.23 C ATOM 454 CG GLU A 705 10.645 -8.068 -3.328 1.00 2.30 C ATOM 455 CD GLU A 705 10.914 -7.532 -4.708 1.00 25.31 C ATOM 456 OE1 GLU A 705 11.052 -8.335 -5.657 1.00 32.02 O ATOM 457 OE2 GLU A 705 11.037 -6.311 -4.868 1.00 75.11 O ATOM 0 H GLU A 705 13.721 -9.775 -1.518 1.00 72.23 H new ATOM 0 HA GLU A 705 11.373 -8.309 -0.618 1.00 42.41 H new ATOM 0 HB2 GLU A 705 12.628 -7.723 -2.656 1.00 21.23 H new ATOM 0 HB3 GLU A 705 12.352 -9.329 -3.302 1.00 21.23 H new ATOM 0 HG2 GLU A 705 9.929 -8.888 -3.386 1.00 2.30 H new ATOM 0 HG3 GLU A 705 10.190 -7.290 -2.715 1.00 2.30 H new ATOM 464 N GLY A 706 10.925 -11.224 -2.070 1.00 12.53 N ATOM 465 CA GLY A 706 10.070 -12.396 -2.072 1.00 44.35 C ATOM 466 C GLY A 706 8.690 -12.130 -2.655 1.00 61.21 C ATOM 467 O GLY A 706 8.286 -12.766 -3.639 1.00 22.53 O ATOM 0 H GLY A 706 11.624 -11.211 -2.812 1.00 12.53 H new ATOM 0 HA2 GLY A 706 10.552 -13.189 -2.644 1.00 44.35 H new ATOM 0 HA3 GLY A 706 9.962 -12.761 -1.051 1.00 44.35 H new ATOM 471 N SER A 707 7.977 -11.208 -2.060 1.00 54.14 N ATOM 472 CA SER A 707 6.665 -10.856 -2.503 1.00 65.40 C ATOM 473 C SER A 707 6.758 -9.614 -3.379 1.00 51.13 C ATOM 474 O SER A 707 7.374 -8.608 -2.990 1.00 55.33 O ATOM 475 CB SER A 707 5.746 -10.618 -1.299 1.00 22.00 C ATOM 476 OG SER A 707 4.414 -10.346 -1.707 1.00 33.12 O ATOM 0 H SER A 707 8.299 -10.680 -1.249 1.00 54.14 H new ATOM 0 HA SER A 707 6.238 -11.671 -3.088 1.00 65.40 H new ATOM 0 HB2 SER A 707 5.758 -11.495 -0.652 1.00 22.00 H new ATOM 0 HB3 SER A 707 6.125 -9.783 -0.710 1.00 22.00 H new ATOM 0 HG SER A 707 3.853 -10.201 -0.917 1.00 33.12 H new ATOM 482 N LEU A 708 6.153 -9.689 -4.543 1.00 30.43 N ATOM 483 CA LEU A 708 6.221 -8.627 -5.524 1.00 3.23 C ATOM 484 C LEU A 708 5.192 -7.543 -5.236 1.00 25.32 C ATOM 485 O LEU A 708 4.349 -7.684 -4.342 1.00 31.22 O ATOM 486 CB LEU A 708 5.971 -9.203 -6.919 1.00 63.01 C ATOM 487 CG LEU A 708 6.888 -10.346 -7.356 1.00 22.05 C ATOM 488 CD1 LEU A 708 6.513 -10.815 -8.741 1.00 11.23 C ATOM 489 CD2 LEU A 708 8.343 -9.921 -7.323 1.00 74.11 C ATOM 0 H LEU A 708 5.597 -10.492 -4.838 1.00 30.43 H new ATOM 0 HA LEU A 708 7.214 -8.181 -5.474 1.00 3.23 H new ATOM 0 HB2 LEU A 708 4.940 -9.555 -6.964 1.00 63.01 H new ATOM 0 HB3 LEU A 708 6.063 -8.394 -7.644 1.00 63.01 H new ATOM 0 HG LEU A 708 6.760 -11.171 -6.655 1.00 22.05 H new ATOM 0 HD11 LEU A 708 7.173 -11.629 -9.041 1.00 11.23 H new ATOM 0 HD12 LEU A 708 5.481 -11.167 -8.739 1.00 11.23 H new ATOM 0 HD13 LEU A 708 6.613 -9.989 -9.445 1.00 11.23 H new ATOM 0 HD21 LEU A 708 8.972 -10.753 -7.638 1.00 74.11 H new ATOM 0 HD22 LEU A 708 8.491 -9.078 -7.998 1.00 74.11 H new ATOM 0 HD23 LEU A 708 8.613 -9.626 -6.309 1.00 74.11 H new ATOM 501 N ASP A 709 5.256 -6.485 -6.005 1.00 45.14 N ATOM 502 CA ASP A 709 4.329 -5.372 -5.879 1.00 4.33 C ATOM 503 C ASP A 709 3.116 -5.635 -6.739 1.00 35.05 C ATOM 504 O ASP A 709 3.175 -6.440 -7.687 1.00 52.23 O ATOM 505 CB ASP A 709 4.978 -4.047 -6.337 1.00 11.24 C ATOM 506 CG ASP A 709 6.195 -3.645 -5.543 1.00 4.25 C ATOM 507 OD1 ASP A 709 7.295 -4.139 -5.847 1.00 3.34 O ATOM 508 OD2 ASP A 709 6.083 -2.808 -4.620 1.00 3.11 O ATOM 0 H ASP A 709 5.952 -6.364 -6.741 1.00 45.14 H new ATOM 0 HA ASP A 709 4.049 -5.282 -4.830 1.00 4.33 H new ATOM 0 HB2 ASP A 709 5.257 -4.137 -7.387 1.00 11.24 H new ATOM 0 HB3 ASP A 709 4.236 -3.251 -6.271 1.00 11.24 H new ATOM 513 N GLY A 710 2.036 -4.991 -6.427 1.00 70.14 N ATOM 514 CA GLY A 710 0.847 -5.124 -7.211 1.00 22.31 C ATOM 515 C GLY A 710 -0.052 -6.228 -6.722 1.00 51.55 C ATOM 516 O GLY A 710 0.253 -6.907 -5.738 1.00 21.54 O ATOM 0 H GLY A 710 1.952 -4.362 -5.628 1.00 70.14 H new ATOM 0 HA2 GLY A 710 0.299 -4.182 -7.195 1.00 22.31 H new ATOM 0 HA3 GLY A 710 1.121 -5.317 -8.248 1.00 22.31 H new ATOM 520 N THR A 711 -1.148 -6.400 -7.407 1.00 75.42 N ATOM 521 CA THR A 711 -2.123 -7.400 -7.098 1.00 3.31 C ATOM 522 C THR A 711 -3.179 -7.407 -8.211 1.00 65.41 C ATOM 523 O THR A 711 -4.009 -6.482 -8.275 1.00 36.96 O ATOM 524 CB THR A 711 -2.749 -7.225 -5.643 1.00 72.43 C ATOM 525 OG1 THR A 711 -3.707 -8.259 -5.350 1.00 11.43 O ATOM 526 CG2 THR A 711 -3.388 -5.853 -5.429 1.00 61.21 C ATOM 527 OXT THR A 711 -3.158 -8.315 -9.046 1.00 36.96 O ATOM 0 H THR A 711 -1.391 -5.831 -8.218 1.00 75.42 H new ATOM 0 HA THR A 711 -1.638 -8.376 -7.064 1.00 3.31 H new ATOM 0 HB THR A 711 -1.911 -7.309 -4.952 1.00 72.43 H new ATOM 0 HG1 THR A 711 -4.070 -8.123 -4.450 1.00 11.43 H new ATOM 0 HG21 THR A 711 -3.796 -5.795 -4.420 1.00 61.21 H new ATOM 0 HG22 THR A 711 -2.635 -5.076 -5.561 1.00 61.21 H new ATOM 0 HG23 THR A 711 -4.189 -5.708 -6.154 1.00 61.21 H new TER 535 THR A 711