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+ -161:sc= -0.088 (180deg=-0.541) USER MOD Single : A 682 THR OG1 : rot 180:sc= 0 USER MOD Single : A 684 THR OG1 : rot -90:sc= 0.147 USER MOD Single : A 686 TYR OH : rot 180:sc= 0 USER MOD Single : A 687 SER OG : rot 180:sc= 0 USER MOD Single : A 691 LYS NZ :NH3+ -167:sc= -0.0852 (180deg=-0.373) USER MOD Single : A 699 SER OG : rot 26:sc= 0.531 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 40:sc=-0.00731 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 -7.859 -5.597 9.790 1.00 12.42 N ATOM 2 CA LEU A 677 -8.811 -4.832 9.010 1.00 73.23 C ATOM 3 C LEU A 677 -9.451 -5.735 7.985 1.00 44.23 C ATOM 4 O LEU A 677 -8.778 -6.586 7.390 1.00 50.51 O ATOM 5 CB LEU A 677 -8.120 -3.647 8.312 1.00 1.35 C ATOM 6 CG LEU A 677 -9.014 -2.720 7.477 1.00 12.40 C ATOM 7 CD1 LEU A 677 -10.083 -2.065 8.345 1.00 15.35 C ATOM 8 CD2 LEU A 677 -8.178 -1.668 6.773 1.00 63.33 C ATOM 0 HA LEU A 677 -9.575 -4.432 9.677 1.00 73.23 H new ATOM 0 HB2 LEU A 677 -7.625 -3.045 9.074 1.00 1.35 H new ATOM 0 HB3 LEU A 677 -7.340 -4.043 7.662 1.00 1.35 H new ATOM 0 HG LEU A 677 -9.517 -3.324 6.722 1.00 12.40 H new ATOM 0 HD11 LEU A 677 -10.703 -1.413 7.729 1.00 15.35 H new ATOM 0 HD12 LEU A 677 -10.706 -2.836 8.799 1.00 15.35 H new ATOM 0 HD13 LEU A 677 -9.605 -1.477 9.129 1.00 15.35 H new ATOM 0 HD21 LEU A 677 -8.828 -1.020 6.186 1.00 63.33 H new ATOM 0 HD22 LEU A 677 -7.644 -1.072 7.513 1.00 63.33 H new ATOM 0 HD23 LEU A 677 -7.460 -2.155 6.113 1.00 63.33 H new ATOM 20 N GLY A 678 -10.727 -5.581 7.791 1.00 1.21 N ATOM 21 CA GLY A 678 -11.422 -6.332 6.840 1.00 4.12 C ATOM 22 C GLY A 678 -11.935 -5.426 5.791 1.00 15.30 C ATOM 23 O GLY A 678 -12.312 -4.301 6.079 1.00 54.13 O ATOM 0 H GLY A 678 -11.304 -4.916 8.306 1.00 1.21 H new ATOM 0 HA2 GLY A 678 -10.765 -7.083 6.400 1.00 4.12 H new ATOM 0 HA3 GLY A 678 -12.247 -6.866 7.312 1.00 4.12 H new ATOM 27 N LYS A 679 -11.919 -5.886 4.606 1.00 50.12 N ATOM 28 CA LYS A 679 -12.367 -5.116 3.453 1.00 2.32 C ATOM 29 C LYS A 679 -13.888 -5.038 3.397 1.00 3.32 C ATOM 30 O LYS A 679 -14.558 -6.047 3.170 1.00 4.11 O ATOM 31 CB LYS A 679 -11.842 -5.736 2.147 1.00 53.44 C ATOM 32 CG LYS A 679 -10.322 -5.798 2.035 1.00 3.32 C ATOM 33 CD LYS A 679 -9.869 -6.393 0.695 1.00 32.14 C ATOM 34 CE LYS A 679 -10.323 -7.836 0.519 1.00 5.14 C ATOM 35 NZ LYS A 679 -9.891 -8.406 -0.782 1.00 41.34 N ATOM 0 H LYS A 679 -11.593 -6.824 4.374 1.00 50.12 H new ATOM 0 HA LYS A 679 -11.967 -4.108 3.561 1.00 2.32 H new ATOM 0 HB2 LYS A 679 -12.241 -6.746 2.055 1.00 53.44 H new ATOM 0 HB3 LYS A 679 -12.231 -5.162 1.306 1.00 53.44 H new ATOM 0 HG2 LYS A 679 -9.909 -4.795 2.145 1.00 3.32 H new ATOM 0 HG3 LYS A 679 -9.922 -6.398 2.852 1.00 3.32 H new ATOM 0 HD2 LYS A 679 -10.265 -5.788 -0.121 1.00 32.14 H new ATOM 0 HD3 LYS A 679 -8.782 -6.346 0.628 1.00 32.14 H new ATOM 0 HE2 LYS A 679 -9.922 -8.443 1.331 1.00 5.14 H new ATOM 0 HE3 LYS A 679 -11.409 -7.885 0.592 1.00 5.14 H new ATOM 0 HZ1 LYS A 679 -10.222 -9.389 -0.858 1.00 41.34 H new ATOM 0 HZ2 LYS A 679 -10.295 -7.844 -1.558 1.00 41.34 H new ATOM 0 HZ3 LYS A 679 -8.853 -8.385 -0.843 1.00 41.34 H new ATOM 49 N LYS A 680 -14.433 -3.858 3.629 1.00 74.40 N ATOM 50 CA LYS A 680 -15.874 -3.671 3.505 1.00 21.43 C ATOM 51 C LYS A 680 -16.168 -3.229 2.092 1.00 74.03 C ATOM 52 O LYS A 680 -17.088 -3.726 1.432 1.00 53.42 O ATOM 53 CB LYS A 680 -16.443 -2.590 4.463 1.00 25.22 C ATOM 54 CG LYS A 680 -16.220 -2.776 5.964 1.00 3.44 C ATOM 55 CD LYS A 680 -14.784 -2.511 6.371 1.00 24.21 C ATOM 56 CE LYS A 680 -14.617 -2.547 7.876 1.00 23.15 C ATOM 57 NZ LYS A 680 -15.453 -1.521 8.542 1.00 12.42 N ATOM 0 H LYS A 680 -13.913 -3.024 3.900 1.00 74.40 H new ATOM 0 HA LYS A 680 -16.344 -4.620 3.763 1.00 21.43 H new ATOM 0 HB2 LYS A 680 -16.013 -1.630 4.177 1.00 25.22 H new ATOM 0 HB3 LYS A 680 -17.517 -2.522 4.290 1.00 25.22 H new ATOM 0 HG2 LYS A 680 -16.880 -2.105 6.513 1.00 3.44 H new ATOM 0 HG3 LYS A 680 -16.493 -3.793 6.246 1.00 3.44 H new ATOM 0 HD2 LYS A 680 -14.132 -3.255 5.914 1.00 24.21 H new ATOM 0 HD3 LYS A 680 -14.471 -1.538 5.993 1.00 24.21 H new ATOM 0 HE2 LYS A 680 -14.887 -3.535 8.249 1.00 23.15 H new ATOM 0 HE3 LYS A 680 -13.570 -2.385 8.130 1.00 23.15 H new ATOM 0 HZ1 LYS A 680 -15.092 -1.349 9.502 1.00 12.42 H new ATOM 0 HZ2 LYS A 680 -15.419 -0.637 7.995 1.00 12.42 H new ATOM 0 HZ3 LYS A 680 -16.436 -1.856 8.597 1.00 12.42 H new ATOM 71 N ASP A 681 -15.368 -2.301 1.637 1.00 50.22 N ATOM 72 CA ASP A 681 -15.492 -1.709 0.327 1.00 43.44 C ATOM 73 C ASP A 681 -14.092 -1.447 -0.217 1.00 61.02 C ATOM 74 O ASP A 681 -13.113 -1.585 0.522 1.00 14.10 O ATOM 75 CB ASP A 681 -16.314 -0.401 0.437 1.00 63.33 C ATOM 76 CG ASP A 681 -16.438 0.364 -0.859 1.00 1.32 C ATOM 77 OD1 ASP A 681 -17.203 -0.057 -1.751 1.00 32.54 O ATOM 78 OD2 ASP A 681 -15.745 1.383 -1.015 1.00 33.54 O ATOM 0 H ASP A 681 -14.591 -1.925 2.180 1.00 50.22 H new ATOM 0 HA ASP A 681 -16.014 -2.377 -0.359 1.00 43.44 H new ATOM 0 HB2 ASP A 681 -17.313 -0.643 0.800 1.00 63.33 H new ATOM 0 HB3 ASP A 681 -15.851 0.244 1.184 1.00 63.33 H new ATOM 83 N THR A 682 -13.991 -1.081 -1.475 1.00 25.03 N ATOM 84 CA THR A 682 -12.727 -0.823 -2.124 1.00 51.22 C ATOM 85 C THR A 682 -11.936 0.309 -1.417 1.00 31.50 C ATOM 86 O THR A 682 -10.698 0.303 -1.407 1.00 64.51 O ATOM 87 CB THR A 682 -12.963 -0.484 -3.597 1.00 4.42 C ATOM 88 OG1 THR A 682 -13.770 -1.534 -4.179 1.00 41.53 O ATOM 89 CG2 THR A 682 -11.636 -0.395 -4.347 1.00 20.41 C ATOM 0 H THR A 682 -14.798 -0.952 -2.085 1.00 25.03 H new ATOM 0 HA THR A 682 -12.120 -1.726 -2.057 1.00 51.22 H new ATOM 0 HB THR A 682 -13.467 0.479 -3.672 1.00 4.42 H new ATOM 0 HG1 THR A 682 -13.934 -1.334 -5.124 1.00 41.53 H new ATOM 0 HG21 THR A 682 -11.825 -0.153 -5.393 1.00 20.41 H new ATOM 0 HG22 THR A 682 -11.017 0.383 -3.900 1.00 20.41 H new ATOM 0 HG23 THR A 682 -11.117 -1.352 -4.284 1.00 20.41 H new ATOM 97 N GLU A 683 -12.640 1.255 -0.801 1.00 70.52 N ATOM 98 CA GLU A 683 -11.960 2.327 -0.078 1.00 34.15 C ATOM 99 C GLU A 683 -11.210 1.790 1.139 1.00 4.30 C ATOM 100 O GLU A 683 -10.200 2.372 1.561 1.00 32.20 O ATOM 101 CB GLU A 683 -12.892 3.467 0.308 1.00 43.41 C ATOM 102 CG GLU A 683 -13.529 4.165 -0.875 1.00 73.44 C ATOM 103 CD GLU A 683 -14.310 5.387 -0.473 1.00 1.12 C ATOM 104 OE1 GLU A 683 -15.495 5.269 -0.116 1.00 34.43 O ATOM 105 OE2 GLU A 683 -13.743 6.502 -0.531 1.00 61.32 O ATOM 0 H GLU A 683 -13.659 1.303 -0.786 1.00 70.52 H new ATOM 0 HA GLU A 683 -11.229 2.746 -0.770 1.00 34.15 H new ATOM 0 HB2 GLU A 683 -13.679 3.077 0.954 1.00 43.41 H new ATOM 0 HB3 GLU A 683 -12.333 4.199 0.891 1.00 43.41 H new ATOM 0 HG2 GLU A 683 -12.753 4.451 -1.585 1.00 73.44 H new ATOM 0 HG3 GLU A 683 -14.191 3.469 -1.390 1.00 73.44 H new ATOM 112 N THR A 684 -11.692 0.671 1.685 1.00 23.24 N ATOM 113 CA THR A 684 -11.042 0.025 2.812 1.00 41.53 C ATOM 114 C THR A 684 -9.677 -0.502 2.357 1.00 51.34 C ATOM 115 O THR A 684 -8.683 -0.443 3.087 1.00 20.41 O ATOM 116 CB THR A 684 -11.865 -1.184 3.311 1.00 22.34 C ATOM 117 OG1 THR A 684 -13.244 -0.812 3.513 1.00 25.23 O ATOM 118 CG2 THR A 684 -11.296 -1.696 4.619 1.00 24.44 C ATOM 0 H THR A 684 -12.534 0.197 1.358 1.00 23.24 H new ATOM 0 HA THR A 684 -10.946 0.755 3.616 1.00 41.53 H new ATOM 0 HB THR A 684 -11.812 -1.966 2.554 1.00 22.34 H new ATOM 0 HG1 THR A 684 -13.367 -0.498 4.433 1.00 25.23 H new ATOM 0 HG21 THR A 684 -11.883 -2.548 4.962 1.00 24.44 H new ATOM 0 HG22 THR A 684 -10.261 -2.005 4.470 1.00 24.44 H new ATOM 0 HG23 THR A 684 -11.334 -0.904 5.367 1.00 24.44 H new ATOM 126 N VAL A 685 -9.651 -0.979 1.122 1.00 64.25 N ATOM 127 CA VAL A 685 -8.461 -1.540 0.508 1.00 61.11 C ATOM 128 C VAL A 685 -7.374 -0.507 0.428 1.00 23.11 C ATOM 129 O VAL A 685 -6.246 -0.768 0.786 1.00 61.41 O ATOM 130 CB VAL A 685 -8.769 -2.057 -0.903 1.00 13.21 C ATOM 131 CG1 VAL A 685 -7.525 -2.643 -1.569 1.00 71.30 C ATOM 132 CG2 VAL A 685 -9.870 -3.080 -0.842 1.00 71.44 C ATOM 0 H VAL A 685 -10.468 -0.987 0.511 1.00 64.25 H new ATOM 0 HA VAL A 685 -8.127 -2.371 1.128 1.00 61.11 H new ATOM 0 HB VAL A 685 -9.097 -1.214 -1.511 1.00 13.21 H new ATOM 0 HG11 VAL A 685 -7.780 -2.999 -2.567 1.00 71.30 H new ATOM 0 HG12 VAL A 685 -6.756 -1.874 -1.644 1.00 71.30 H new ATOM 0 HG13 VAL A 685 -7.150 -3.474 -0.972 1.00 71.30 H new ATOM 0 HG21 VAL A 685 -10.085 -3.444 -1.847 1.00 71.44 H new ATOM 0 HG22 VAL A 685 -9.558 -3.914 -0.213 1.00 71.44 H new ATOM 0 HG23 VAL A 685 -10.767 -2.625 -0.422 1.00 71.44 H new ATOM 142 N TYR A 686 -7.712 0.677 -0.024 1.00 62.12 N ATOM 143 CA TYR A 686 -6.726 1.738 -0.103 1.00 70.32 C ATOM 144 C TYR A 686 -6.169 2.095 1.267 1.00 21.24 C ATOM 145 O TYR A 686 -5.027 2.506 1.382 1.00 52.32 O ATOM 146 CB TYR A 686 -7.257 2.968 -0.810 1.00 20.22 C ATOM 147 CG TYR A 686 -7.570 2.740 -2.262 1.00 3.35 C ATOM 148 CD1 TYR A 686 -6.548 2.534 -3.177 1.00 14.23 C ATOM 149 CD2 TYR A 686 -8.876 2.724 -2.720 1.00 22.01 C ATOM 150 CE1 TYR A 686 -6.822 2.322 -4.510 1.00 44.04 C ATOM 151 CE2 TYR A 686 -9.161 2.513 -4.050 1.00 74.41 C ATOM 152 CZ TYR A 686 -8.132 2.314 -4.942 1.00 24.23 C ATOM 153 OH TYR A 686 -8.410 2.104 -6.273 1.00 24.32 O ATOM 0 H TYR A 686 -8.648 0.932 -0.340 1.00 62.12 H new ATOM 0 HA TYR A 686 -5.906 1.349 -0.706 1.00 70.32 H new ATOM 0 HB2 TYR A 686 -8.159 3.308 -0.302 1.00 20.22 H new ATOM 0 HB3 TYR A 686 -6.523 3.770 -0.727 1.00 20.22 H new ATOM 0 HD1 TYR A 686 -5.522 2.540 -2.839 1.00 14.23 H new ATOM 0 HD2 TYR A 686 -9.685 2.880 -2.022 1.00 22.01 H new ATOM 0 HE1 TYR A 686 -6.017 2.163 -5.212 1.00 44.04 H new ATOM 0 HE2 TYR A 686 -10.186 2.504 -4.391 1.00 74.41 H new ATOM 0 HH TYR A 686 -9.380 2.127 -6.412 1.00 24.32 H new ATOM 163 N SER A 687 -6.962 1.883 2.296 1.00 30.11 N ATOM 164 CA SER A 687 -6.526 2.170 3.655 1.00 32.12 C ATOM 165 C SER A 687 -5.476 1.131 4.081 1.00 32.33 C ATOM 166 O SER A 687 -4.454 1.484 4.689 1.00 25.44 O ATOM 167 CB SER A 687 -7.724 2.201 4.623 1.00 55.24 C ATOM 168 OG SER A 687 -7.334 2.600 5.931 1.00 42.33 O ATOM 0 H SER A 687 -7.910 1.514 2.223 1.00 30.11 H new ATOM 0 HA SER A 687 -6.069 3.159 3.688 1.00 32.12 H new ATOM 0 HB2 SER A 687 -8.481 2.888 4.244 1.00 55.24 H new ATOM 0 HB3 SER A 687 -8.183 1.213 4.666 1.00 55.24 H new ATOM 0 HG SER A 687 -8.119 2.610 6.518 1.00 42.33 H new ATOM 174 N GLU A 688 -5.703 -0.143 3.739 1.00 4.50 N ATOM 175 CA GLU A 688 -4.709 -1.161 4.023 1.00 3.21 C ATOM 176 C GLU A 688 -3.500 -1.015 3.097 1.00 72.02 C ATOM 177 O GLU A 688 -2.369 -1.306 3.486 1.00 22.22 O ATOM 178 CB GLU A 688 -5.276 -2.591 4.038 1.00 65.51 C ATOM 179 CG GLU A 688 -6.002 -3.009 2.794 1.00 63.32 C ATOM 180 CD GLU A 688 -6.378 -4.460 2.818 1.00 54.53 C ATOM 181 OE1 GLU A 688 -7.369 -4.820 3.452 1.00 63.41 O ATOM 182 OE2 GLU A 688 -5.649 -5.280 2.212 1.00 14.41 O ATOM 0 H GLU A 688 -6.548 -0.479 3.277 1.00 4.50 H new ATOM 0 HA GLU A 688 -4.369 -0.990 5.044 1.00 3.21 H new ATOM 0 HB2 GLU A 688 -4.455 -3.287 4.210 1.00 65.51 H new ATOM 0 HB3 GLU A 688 -5.957 -2.685 4.884 1.00 65.51 H new ATOM 0 HG2 GLU A 688 -6.902 -2.404 2.680 1.00 63.32 H new ATOM 0 HG3 GLU A 688 -5.374 -2.813 1.925 1.00 63.32 H new ATOM 189 N VAL A 689 -3.740 -0.530 1.875 1.00 71.42 N ATOM 190 CA VAL A 689 -2.653 -0.213 0.950 1.00 13.45 C ATOM 191 C VAL A 689 -1.774 0.877 1.547 1.00 10.13 C ATOM 192 O VAL A 689 -0.573 0.804 1.465 1.00 12.03 O ATOM 193 CB VAL A 689 -3.157 0.207 -0.471 1.00 64.10 C ATOM 194 CG1 VAL A 689 -1.995 0.651 -1.356 1.00 21.22 C ATOM 195 CG2 VAL A 689 -3.867 -0.952 -1.138 1.00 13.55 C ATOM 0 H VAL A 689 -4.674 -0.350 1.506 1.00 71.42 H new ATOM 0 HA VAL A 689 -2.073 -1.125 0.811 1.00 13.45 H new ATOM 0 HB VAL A 689 -3.847 1.041 -0.345 1.00 64.10 H new ATOM 0 HG11 VAL A 689 -2.374 0.937 -2.337 1.00 21.22 H new ATOM 0 HG12 VAL A 689 -1.494 1.503 -0.898 1.00 21.22 H new ATOM 0 HG13 VAL A 689 -1.287 -0.170 -1.466 1.00 21.22 H new ATOM 0 HG21 VAL A 689 -4.213 -0.647 -2.126 1.00 13.55 H new ATOM 0 HG22 VAL A 689 -3.179 -1.791 -1.238 1.00 13.55 H new ATOM 0 HG23 VAL A 689 -4.721 -1.253 -0.532 1.00 13.55 H new ATOM 205 N ARG A 690 -2.392 1.862 2.189 1.00 14.30 N ATOM 206 CA ARG A 690 -1.672 2.930 2.863 1.00 12.24 C ATOM 207 C ARG A 690 -0.721 2.400 3.927 1.00 52.22 C ATOM 208 O ARG A 690 0.316 2.991 4.185 1.00 44.41 O ATOM 209 CB ARG A 690 -2.644 3.957 3.444 1.00 30.50 C ATOM 210 CG ARG A 690 -3.318 4.833 2.409 1.00 72.12 C ATOM 211 CD ARG A 690 -2.297 5.614 1.590 1.00 13.42 C ATOM 212 NE ARG A 690 -2.941 6.454 0.591 1.00 70.34 N ATOM 213 CZ ARG A 690 -2.368 6.904 -0.521 1.00 65.05 C ATOM 214 NH1 ARG A 690 -1.098 6.604 -0.798 1.00 4.30 N ATOM 215 NH2 ARG A 690 -3.068 7.654 -1.359 1.00 1.40 N ATOM 0 H ARG A 690 -3.407 1.940 2.255 1.00 14.30 H new ATOM 0 HA ARG A 690 -1.056 3.430 2.115 1.00 12.24 H new ATOM 0 HB2 ARG A 690 -3.411 3.432 4.014 1.00 30.50 H new ATOM 0 HB3 ARG A 690 -2.105 4.593 4.146 1.00 30.50 H new ATOM 0 HG2 ARG A 690 -3.923 4.215 1.745 1.00 72.12 H new ATOM 0 HG3 ARG A 690 -3.997 5.527 2.904 1.00 72.12 H new ATOM 0 HD2 ARG A 690 -1.695 6.234 2.254 1.00 13.42 H new ATOM 0 HD3 ARG A 690 -1.616 4.919 1.098 1.00 13.42 H new ATOM 0 HE ARG A 690 -3.912 6.719 0.758 1.00 70.34 H new ATOM 0 HH11 ARG A 690 -0.559 6.025 -0.154 1.00 4.30 H new ATOM 0 HH12 ARG A 690 -0.666 6.954 -1.654 1.00 4.30 H new ATOM 0 HH21 ARG A 690 -4.040 7.883 -1.149 1.00 1.40 H new ATOM 0 HH22 ARG A 690 -2.635 8.003 -2.214 1.00 1.40 H new ATOM 229 N LYS A 691 -1.082 1.300 4.545 1.00 62.02 N ATOM 230 CA LYS A 691 -0.207 0.650 5.505 1.00 51.13 C ATOM 231 C LYS A 691 0.884 -0.120 4.766 1.00 12.43 C ATOM 232 O LYS A 691 2.043 -0.163 5.187 1.00 3.35 O ATOM 233 CB LYS A 691 -1.002 -0.299 6.399 1.00 35.43 C ATOM 234 CG LYS A 691 -2.122 0.382 7.142 1.00 61.42 C ATOM 235 CD LYS A 691 -2.838 -0.568 8.071 1.00 50.25 C ATOM 236 CE LYS A 691 -3.979 0.133 8.791 1.00 62.54 C ATOM 237 NZ LYS A 691 -3.521 1.322 9.550 1.00 3.42 N ATOM 0 H LYS A 691 -1.977 0.832 4.403 1.00 62.02 H new ATOM 0 HA LYS A 691 0.252 1.413 6.134 1.00 51.13 H new ATOM 0 HB2 LYS A 691 -1.415 -1.102 5.788 1.00 35.43 H new ATOM 0 HB3 LYS A 691 -0.326 -0.761 7.118 1.00 35.43 H new ATOM 0 HG2 LYS A 691 -1.722 1.218 7.715 1.00 61.42 H new ATOM 0 HG3 LYS A 691 -2.833 0.796 6.427 1.00 61.42 H new ATOM 0 HD2 LYS A 691 -3.226 -1.414 7.504 1.00 50.25 H new ATOM 0 HD3 LYS A 691 -2.134 -0.969 8.800 1.00 50.25 H new ATOM 0 HE2 LYS A 691 -4.732 0.437 8.064 1.00 62.54 H new ATOM 0 HE3 LYS A 691 -4.460 -0.568 9.474 1.00 62.54 H new ATOM 0 HZ1 LYS A 691 -4.276 1.635 10.193 1.00 3.42 H new ATOM 0 HZ2 LYS A 691 -2.675 1.076 10.103 1.00 3.42 H new ATOM 0 HZ3 LYS A 691 -3.291 2.089 8.887 1.00 3.42 H new ATOM 251 N ALA A 692 0.498 -0.699 3.648 1.00 64.12 N ATOM 252 CA ALA A 692 1.374 -1.512 2.832 1.00 33.15 C ATOM 253 C ALA A 692 2.418 -0.678 2.082 1.00 1.13 C ATOM 254 O ALA A 692 3.466 -1.184 1.743 1.00 21.15 O ATOM 255 CB ALA A 692 0.557 -2.348 1.853 1.00 11.53 C ATOM 0 H ALA A 692 -0.448 -0.616 3.275 1.00 64.12 H new ATOM 0 HA ALA A 692 1.919 -2.173 3.505 1.00 33.15 H new ATOM 0 HB1 ALA A 692 1.228 -2.955 1.245 1.00 11.53 H new ATOM 0 HB2 ALA A 692 -0.120 -2.999 2.407 1.00 11.53 H new ATOM 0 HB3 ALA A 692 -0.022 -1.689 1.206 1.00 11.53 H new ATOM 261 N VAL A 693 2.120 0.590 1.828 1.00 5.21 N ATOM 262 CA VAL A 693 3.050 1.482 1.108 1.00 1.12 C ATOM 263 C VAL A 693 4.432 1.609 1.831 1.00 13.44 C ATOM 264 O VAL A 693 5.464 1.227 1.250 1.00 73.12 O ATOM 265 CB VAL A 693 2.424 2.891 0.789 1.00 63.53 C ATOM 266 CG1 VAL A 693 3.409 3.789 0.074 1.00 44.12 C ATOM 267 CG2 VAL A 693 1.180 2.745 -0.064 1.00 64.22 C ATOM 0 H VAL A 693 1.244 1.033 2.106 1.00 5.21 H new ATOM 0 HA VAL A 693 3.236 1.004 0.146 1.00 1.12 H new ATOM 0 HB VAL A 693 2.163 3.347 1.744 1.00 63.53 H new ATOM 0 HG11 VAL A 693 2.942 4.752 -0.130 1.00 44.12 H new ATOM 0 HG12 VAL A 693 4.288 3.937 0.701 1.00 44.12 H new ATOM 0 HG13 VAL A 693 3.708 3.325 -0.866 1.00 44.12 H new ATOM 0 HG21 VAL A 693 0.764 3.731 -0.272 1.00 64.22 H new ATOM 0 HG22 VAL A 693 1.438 2.254 -1.002 1.00 64.22 H new ATOM 0 HG23 VAL A 693 0.442 2.145 0.468 1.00 64.22 H new ATOM 277 N PRO A 694 4.493 2.108 3.106 1.00 70.04 N ATOM 278 CA PRO A 694 5.765 2.210 3.838 1.00 41.33 C ATOM 279 C PRO A 694 6.307 0.829 4.212 1.00 12.43 C ATOM 280 O PRO A 694 7.494 0.665 4.496 1.00 34.24 O ATOM 281 CB PRO A 694 5.406 3.011 5.096 1.00 64.33 C ATOM 282 CG PRO A 694 3.949 2.774 5.290 1.00 35.50 C ATOM 283 CD PRO A 694 3.366 2.634 3.911 1.00 74.01 C ATOM 0 HA PRO A 694 6.547 2.682 3.243 1.00 41.33 H new ATOM 0 HB2 PRO A 694 5.981 2.673 5.958 1.00 64.33 H new ATOM 0 HB3 PRO A 694 5.621 4.072 4.965 1.00 64.33 H new ATOM 0 HG2 PRO A 694 3.775 1.875 5.881 1.00 35.50 H new ATOM 0 HG3 PRO A 694 3.487 3.602 5.827 1.00 35.50 H new ATOM 0 HD2 PRO A 694 2.516 1.952 3.903 1.00 74.01 H new ATOM 0 HD3 PRO A 694 3.011 3.591 3.527 1.00 74.01 H new ATOM 291 N ASP A 695 5.438 -0.147 4.188 1.00 1.30 N ATOM 292 CA ASP A 695 5.801 -1.520 4.483 1.00 52.44 C ATOM 293 C ASP A 695 6.560 -2.130 3.307 1.00 35.11 C ATOM 294 O ASP A 695 7.598 -2.773 3.479 1.00 34.42 O ATOM 295 CB ASP A 695 4.545 -2.328 4.784 1.00 34.55 C ATOM 296 CG ASP A 695 4.827 -3.775 5.063 1.00 3.54 C ATOM 297 OD1 ASP A 695 5.289 -4.094 6.171 1.00 74.01 O ATOM 298 OD2 ASP A 695 4.560 -4.621 4.184 1.00 23.20 O ATOM 0 H ASP A 695 4.452 -0.018 3.963 1.00 1.30 H new ATOM 0 HA ASP A 695 6.452 -1.539 5.357 1.00 52.44 H new ATOM 0 HB2 ASP A 695 4.037 -1.891 5.644 1.00 34.55 H new ATOM 0 HB3 ASP A 695 3.862 -2.254 3.938 1.00 34.55 H new ATOM 303 N ALA A 696 6.047 -1.892 2.113 1.00 50.23 N ATOM 304 CA ALA A 696 6.642 -2.391 0.890 1.00 24.20 C ATOM 305 C ALA A 696 7.990 -1.753 0.633 1.00 24.34 C ATOM 306 O ALA A 696 8.907 -2.414 0.179 1.00 31.12 O ATOM 307 CB ALA A 696 5.721 -2.163 -0.290 1.00 22.13 C ATOM 0 H ALA A 696 5.200 -1.343 1.966 1.00 50.23 H new ATOM 0 HA ALA A 696 6.792 -3.464 1.013 1.00 24.20 H new ATOM 0 HB1 ALA A 696 6.190 -2.546 -1.197 1.00 22.13 H new ATOM 0 HB2 ALA A 696 4.778 -2.683 -0.121 1.00 22.13 H new ATOM 0 HB3 ALA A 696 5.531 -1.096 -0.403 1.00 22.13 H new ATOM 313 N VAL A 697 8.117 -0.465 0.926 1.00 52.23 N ATOM 314 CA VAL A 697 9.392 0.194 0.718 1.00 75.30 C ATOM 315 C VAL A 697 10.451 -0.365 1.667 1.00 73.40 C ATOM 316 O VAL A 697 11.577 -0.639 1.247 1.00 71.45 O ATOM 317 CB VAL A 697 9.331 1.758 0.803 1.00 32.12 C ATOM 318 CG1 VAL A 697 8.841 2.232 2.143 1.00 34.42 C ATOM 319 CG2 VAL A 697 10.693 2.340 0.510 1.00 62.14 C ATOM 0 H VAL A 697 7.374 0.127 1.298 1.00 52.23 H new ATOM 0 HA VAL A 697 9.675 -0.029 -0.311 1.00 75.30 H new ATOM 0 HB VAL A 697 8.616 2.103 0.056 1.00 32.12 H new ATOM 0 HG11 VAL A 697 8.815 3.322 2.156 1.00 34.42 H new ATOM 0 HG12 VAL A 697 7.839 1.843 2.322 1.00 34.42 H new ATOM 0 HG13 VAL A 697 9.514 1.876 2.923 1.00 34.42 H new ATOM 0 HG21 VAL A 697 10.645 3.427 0.570 1.00 62.14 H new ATOM 0 HG22 VAL A 697 11.412 1.968 1.239 1.00 62.14 H new ATOM 0 HG23 VAL A 697 11.007 2.046 -0.492 1.00 62.14 H new ATOM 329 N GLU A 698 10.058 -0.573 2.930 1.00 31.23 N ATOM 330 CA GLU A 698 10.905 -1.115 3.948 1.00 44.14 C ATOM 331 C GLU A 698 11.477 -2.470 3.527 1.00 72.34 C ATOM 332 O GLU A 698 12.667 -2.719 3.672 1.00 24.02 O ATOM 333 CB GLU A 698 10.086 -1.266 5.222 1.00 2.34 C ATOM 334 CG GLU A 698 10.841 -1.912 6.324 1.00 43.41 C ATOM 335 CD GLU A 698 10.034 -2.101 7.580 1.00 11.54 C ATOM 336 OE1 GLU A 698 9.184 -3.010 7.625 1.00 34.24 O ATOM 337 OE2 GLU A 698 10.248 -1.352 8.547 1.00 34.41 O ATOM 0 H GLU A 698 9.117 -0.357 3.259 1.00 31.23 H new ATOM 0 HA GLU A 698 11.746 -0.441 4.114 1.00 44.14 H new ATOM 0 HB2 GLU A 698 9.748 -0.283 5.549 1.00 2.34 H new ATOM 0 HB3 GLU A 698 9.194 -1.854 5.006 1.00 2.34 H new ATOM 0 HG2 GLU A 698 11.202 -2.883 5.985 1.00 43.41 H new ATOM 0 HG3 GLU A 698 11.719 -1.308 6.554 1.00 43.41 H new ATOM 344 N SER A 699 10.633 -3.313 2.987 1.00 25.03 N ATOM 345 CA SER A 699 11.042 -4.611 2.529 1.00 3.41 C ATOM 346 C SER A 699 11.902 -4.546 1.255 1.00 24.44 C ATOM 347 O SER A 699 12.732 -5.422 1.016 1.00 11.11 O ATOM 348 CB SER A 699 9.830 -5.521 2.399 1.00 40.22 C ATOM 349 OG SER A 699 8.768 -4.848 1.755 1.00 22.12 O ATOM 0 H SER A 699 9.641 -3.115 2.854 1.00 25.03 H new ATOM 0 HA SER A 699 11.701 -5.050 3.279 1.00 3.41 H new ATOM 0 HB2 SER A 699 10.098 -6.413 1.833 1.00 40.22 H new ATOM 0 HB3 SER A 699 9.511 -5.853 3.387 1.00 40.22 H new ATOM 0 HG SER A 699 9.129 -4.139 1.183 1.00 22.12 H new ATOM 355 N ARG A 700 11.693 -3.506 0.440 1.00 22.43 N ATOM 356 CA ARG A 700 12.489 -3.300 -0.769 1.00 25.51 C ATOM 357 C ARG A 700 13.899 -2.860 -0.481 1.00 55.33 C ATOM 358 O ARG A 700 14.770 -2.968 -1.349 1.00 51.45 O ATOM 359 CB ARG A 700 11.849 -2.352 -1.721 1.00 74.14 C ATOM 360 CG ARG A 700 10.589 -2.892 -2.312 1.00 24.42 C ATOM 361 CD ARG A 700 10.114 -2.008 -3.393 1.00 71.44 C ATOM 362 NE ARG A 700 8.865 -2.496 -3.988 1.00 22.43 N ATOM 363 CZ ARG A 700 8.161 -1.887 -4.954 1.00 24.23 C ATOM 364 NH1 ARG A 700 8.529 -0.693 -5.414 1.00 64.42 N ATOM 365 NH2 ARG A 700 7.073 -2.468 -5.435 1.00 72.12 N ATOM 0 H ARG A 700 10.979 -2.795 0.598 1.00 22.43 H new ATOM 0 HA ARG A 700 12.536 -4.282 -1.240 1.00 25.51 H new ATOM 0 HB2 ARG A 700 11.632 -1.417 -1.205 1.00 74.14 H new ATOM 0 HB3 ARG A 700 12.550 -2.119 -2.522 1.00 74.14 H new ATOM 0 HG2 ARG A 700 10.762 -3.895 -2.702 1.00 24.42 H new ATOM 0 HG3 ARG A 700 9.824 -2.978 -1.540 1.00 24.42 H new ATOM 0 HD2 ARG A 700 9.961 -1.003 -3.000 1.00 71.44 H new ATOM 0 HD3 ARG A 700 10.880 -1.935 -4.165 1.00 71.44 H new ATOM 0 HE ARG A 700 8.498 -3.380 -3.635 1.00 22.43 H new ATOM 0 HH11 ARG A 700 9.354 -0.231 -5.032 1.00 64.42 H new ATOM 0 HH12 ARG A 700 7.986 -0.240 -6.149 1.00 64.42 H new ATOM 0 HH21 ARG A 700 6.775 -3.373 -5.071 1.00 72.12 H new ATOM 0 HH22 ARG A 700 6.533 -2.011 -6.170 1.00 72.12 H new ATOM 379 N TYR A 701 14.126 -2.318 0.720 1.00 43.41 N ATOM 380 CA TYR A 701 15.474 -1.969 1.146 1.00 23.10 C ATOM 381 C TYR A 701 16.352 -3.204 1.131 1.00 64.02 C ATOM 382 O TYR A 701 16.224 -4.073 1.990 1.00 10.31 O ATOM 383 CB TYR A 701 15.502 -1.341 2.552 1.00 41.12 C ATOM 384 CG TYR A 701 15.149 0.133 2.652 1.00 24.24 C ATOM 385 CD1 TYR A 701 13.839 0.593 2.626 1.00 74.24 C ATOM 386 CD2 TYR A 701 16.154 1.067 2.818 1.00 52.44 C ATOM 387 CE1 TYR A 701 13.554 1.933 2.759 1.00 63.55 C ATOM 388 CE2 TYR A 701 15.874 2.407 2.943 1.00 74.24 C ATOM 389 CZ TYR A 701 14.571 2.832 2.913 1.00 45.51 C ATOM 390 OH TYR A 701 14.285 4.163 3.052 1.00 70.01 O ATOM 0 H TYR A 701 13.398 -2.115 1.405 1.00 43.41 H new ATOM 0 HA TYR A 701 15.851 -1.225 0.444 1.00 23.10 H new ATOM 0 HB2 TYR A 701 14.813 -1.899 3.187 1.00 41.12 H new ATOM 0 HB3 TYR A 701 16.501 -1.480 2.966 1.00 41.12 H new ATOM 0 HD1 TYR A 701 13.031 -0.112 2.499 1.00 74.24 H new ATOM 0 HD2 TYR A 701 17.182 0.737 2.850 1.00 52.44 H new ATOM 0 HE1 TYR A 701 12.529 2.273 2.742 1.00 63.55 H new ATOM 0 HE2 TYR A 701 16.676 3.121 3.064 1.00 74.24 H new ATOM 0 HH TYR A 701 15.119 4.668 3.153 1.00 70.01 H new ATOM 400 N SER A 702 17.181 -3.306 0.117 1.00 20.04 N ATOM 401 CA SER A 702 18.093 -4.415 -0.023 1.00 35.44 C ATOM 402 C SER A 702 19.053 -4.472 1.176 1.00 14.01 C ATOM 403 O SER A 702 19.892 -3.568 1.368 1.00 21.23 O ATOM 404 CB SER A 702 18.856 -4.309 -1.346 1.00 71.02 C ATOM 405 OG SER A 702 19.655 -5.454 -1.580 1.00 34.22 O ATOM 0 H SER A 702 17.241 -2.620 -0.635 1.00 20.04 H new ATOM 0 HA SER A 702 17.524 -5.344 -0.038 1.00 35.44 H new ATOM 0 HB2 SER A 702 18.148 -4.185 -2.166 1.00 71.02 H new ATOM 0 HB3 SER A 702 19.487 -3.421 -1.332 1.00 71.02 H new ATOM 0 HG SER A 702 20.127 -5.355 -2.433 1.00 34.22 H new ATOM 411 N ARG A 703 18.898 -5.535 1.973 1.00 24.15 N ATOM 412 CA ARG A 703 19.649 -5.781 3.210 1.00 13.52 C ATOM 413 C ARG A 703 19.294 -4.747 4.276 1.00 71.21 C ATOM 414 O ARG A 703 19.991 -3.729 4.439 1.00 24.01 O ATOM 415 CB ARG A 703 21.176 -5.830 3.002 1.00 34.44 C ATOM 416 CG ARG A 703 21.655 -6.811 1.951 1.00 70.41 C ATOM 417 CD ARG A 703 23.178 -6.907 1.927 1.00 73.12 C ATOM 418 NE ARG A 703 23.834 -5.598 1.804 1.00 51.02 N ATOM 419 CZ ARG A 703 25.124 -5.406 1.493 1.00 65.11 C ATOM 420 NH1 ARG A 703 25.907 -6.437 1.161 1.00 3.13 N ATOM 421 NH2 ARG A 703 25.623 -4.176 1.514 1.00 52.34 N ATOM 0 H ARG A 703 18.224 -6.273 1.768 1.00 24.15 H new ATOM 0 HA ARG A 703 19.349 -6.772 3.551 1.00 13.52 H new ATOM 0 HB2 ARG A 703 21.521 -4.833 2.729 1.00 34.44 H new ATOM 0 HB3 ARG A 703 21.648 -6.081 3.952 1.00 34.44 H new ATOM 0 HG2 ARG A 703 21.231 -7.795 2.150 1.00 70.41 H new ATOM 0 HG3 ARG A 703 21.294 -6.501 0.971 1.00 70.41 H new ATOM 0 HD2 ARG A 703 23.520 -7.394 2.840 1.00 73.12 H new ATOM 0 HD3 ARG A 703 23.484 -7.540 1.094 1.00 73.12 H new ATOM 0 HE ARG A 703 23.262 -4.769 1.968 1.00 51.02 H new ATOM 0 HH11 ARG A 703 25.525 -7.382 1.142 1.00 3.13 H new ATOM 0 HH12 ARG A 703 26.887 -6.278 0.926 1.00 3.13 H new ATOM 0 HH21 ARG A 703 25.026 -3.388 1.765 1.00 52.34 H new ATOM 0 HH22 ARG A 703 26.603 -4.019 1.279 1.00 52.34 H new ATOM 435 N THR A 704 18.206 -4.985 4.967 1.00 1.03 N ATOM 436 CA THR A 704 17.728 -4.069 5.968 1.00 0.04 C ATOM 437 C THR A 704 18.567 -4.096 7.230 1.00 24.10 C ATOM 438 O THR A 704 18.694 -5.122 7.906 1.00 72.11 O ATOM 439 CB THR A 704 16.238 -4.289 6.301 1.00 63.30 C ATOM 440 OG1 THR A 704 15.987 -5.667 6.634 1.00 32.43 O ATOM 441 CG2 THR A 704 15.362 -3.873 5.151 1.00 71.01 C ATOM 0 H THR A 704 17.629 -5.818 4.850 1.00 1.03 H new ATOM 0 HA THR A 704 17.828 -3.076 5.529 1.00 0.04 H new ATOM 0 HB THR A 704 15.997 -3.669 7.164 1.00 63.30 H new ATOM 0 HG1 THR A 704 16.723 -6.010 7.183 1.00 32.43 H new ATOM 0 HG21 THR A 704 14.317 -4.038 5.412 1.00 71.01 H new ATOM 0 HG22 THR A 704 15.520 -2.816 4.937 1.00 71.01 H new ATOM 0 HG23 THR A 704 15.614 -4.463 4.270 1.00 71.01 H new ATOM 449 N GLU A 705 19.138 -2.977 7.537 1.00 64.42 N ATOM 450 CA GLU A 705 19.953 -2.844 8.699 1.00 0.04 C ATOM 451 C GLU A 705 19.070 -2.337 9.820 1.00 15.20 C ATOM 452 O GLU A 705 18.433 -1.302 9.693 1.00 24.43 O ATOM 453 CB GLU A 705 21.125 -1.888 8.372 1.00 41.14 C ATOM 454 CG GLU A 705 22.221 -1.734 9.434 1.00 13.43 C ATOM 455 CD GLU A 705 21.807 -0.973 10.670 1.00 30.14 C ATOM 456 OE1 GLU A 705 21.666 0.272 10.587 1.00 64.44 O ATOM 457 OE2 GLU A 705 21.635 -1.598 11.742 1.00 24.11 O ATOM 0 H GLU A 705 19.051 -2.124 6.984 1.00 64.42 H new ATOM 0 HA GLU A 705 20.391 -3.791 9.014 1.00 0.04 H new ATOM 0 HB2 GLU A 705 21.594 -2.231 7.450 1.00 41.14 H new ATOM 0 HB3 GLU A 705 20.709 -0.901 8.170 1.00 41.14 H new ATOM 0 HG2 GLU A 705 22.559 -2.726 9.732 1.00 13.43 H new ATOM 0 HG3 GLU A 705 23.075 -1.229 8.983 1.00 13.43 H new ATOM 464 N GLY A 706 18.983 -3.093 10.881 1.00 1.13 N ATOM 465 CA GLY A 706 18.171 -2.684 12.004 1.00 45.34 C ATOM 466 C GLY A 706 16.815 -3.337 12.004 1.00 31.20 C ATOM 467 O GLY A 706 16.125 -3.362 13.027 1.00 14.31 O ATOM 0 H GLY A 706 19.458 -3.988 10.995 1.00 1.13 H new ATOM 0 HA2 GLY A 706 18.689 -2.930 12.931 1.00 45.34 H new ATOM 0 HA3 GLY A 706 18.049 -1.601 11.985 1.00 45.34 H new ATOM 471 N SER A 707 16.429 -3.864 10.876 1.00 61.34 N ATOM 472 CA SER A 707 15.165 -4.534 10.749 1.00 4.41 C ATOM 473 C SER A 707 15.382 -6.045 10.757 1.00 54.41 C ATOM 474 O SER A 707 15.946 -6.606 9.818 1.00 22.45 O ATOM 475 CB SER A 707 14.487 -4.098 9.458 1.00 5.42 C ATOM 476 OG SER A 707 14.357 -2.676 9.409 1.00 2.50 O ATOM 0 H SER A 707 16.981 -3.841 10.019 1.00 61.34 H new ATOM 0 HA SER A 707 14.523 -4.270 11.589 1.00 4.41 H new ATOM 0 HB2 SER A 707 15.067 -4.444 8.602 1.00 5.42 H new ATOM 0 HB3 SER A 707 13.503 -4.561 9.385 1.00 5.42 H new ATOM 0 HG SER A 707 13.921 -2.416 8.571 1.00 2.50 H new ATOM 482 N LEU A 708 14.978 -6.693 11.830 1.00 4.11 N ATOM 483 CA LEU A 708 15.153 -8.136 11.961 1.00 54.45 C ATOM 484 C LEU A 708 13.802 -8.823 12.087 1.00 71.31 C ATOM 485 O LEU A 708 13.731 -10.049 12.269 1.00 35.33 O ATOM 486 CB LEU A 708 16.031 -8.500 13.195 1.00 75.22 C ATOM 487 CG LEU A 708 17.497 -8.001 13.228 1.00 73.14 C ATOM 488 CD1 LEU A 708 18.237 -8.356 11.954 1.00 0.21 C ATOM 489 CD2 LEU A 708 17.606 -6.513 13.553 1.00 24.44 C ATOM 0 H LEU A 708 14.525 -6.248 12.628 1.00 4.11 H new ATOM 0 HA LEU A 708 15.662 -8.483 11.062 1.00 54.45 H new ATOM 0 HB2 LEU A 708 15.530 -8.117 14.084 1.00 75.22 H new ATOM 0 HB3 LEU A 708 16.048 -9.586 13.282 1.00 75.22 H new ATOM 0 HG LEU A 708 17.985 -8.529 14.047 1.00 73.14 H new ATOM 0 HD11 LEU A 708 19.262 -7.990 12.014 1.00 0.21 H new ATOM 0 HD12 LEU A 708 18.246 -9.439 11.828 1.00 0.21 H new ATOM 0 HD13 LEU A 708 17.737 -7.895 11.102 1.00 0.21 H new ATOM 0 HD21 LEU A 708 18.655 -6.219 13.563 1.00 24.44 H new ATOM 0 HD22 LEU A 708 17.074 -5.936 12.797 1.00 24.44 H new ATOM 0 HD23 LEU A 708 17.166 -6.321 14.532 1.00 24.44 H new ATOM 501 N ASP A 709 12.748 -8.015 11.972 1.00 22.31 N ATOM 502 CA ASP A 709 11.347 -8.422 12.150 1.00 23.01 C ATOM 503 C ASP A 709 11.124 -8.967 13.541 1.00 21.13 C ATOM 504 O ASP A 709 11.269 -10.163 13.798 1.00 31.25 O ATOM 505 CB ASP A 709 10.824 -9.389 11.063 1.00 64.31 C ATOM 506 CG ASP A 709 9.351 -9.756 11.266 1.00 70.22 C ATOM 507 OD1 ASP A 709 8.472 -8.878 11.055 1.00 50.23 O ATOM 508 OD2 ASP A 709 9.045 -10.925 11.607 1.00 22.11 O ATOM 0 H ASP A 709 12.845 -7.025 11.745 1.00 22.31 H new ATOM 0 HA ASP A 709 10.751 -7.518 12.027 1.00 23.01 H new ATOM 0 HB2 ASP A 709 10.949 -8.930 10.082 1.00 64.31 H new ATOM 0 HB3 ASP A 709 11.426 -10.298 11.069 1.00 64.31 H new ATOM 513 N GLY A 710 10.830 -8.077 14.444 1.00 12.32 N ATOM 514 CA GLY A 710 10.638 -8.455 15.804 1.00 24.41 C ATOM 515 C GLY A 710 9.337 -7.950 16.337 1.00 2.35 C ATOM 516 O GLY A 710 9.219 -6.763 16.694 1.00 54.51 O ATOM 0 H GLY A 710 10.719 -7.081 14.256 1.00 12.32 H new ATOM 0 HA2 GLY A 710 10.669 -9.541 15.888 1.00 24.41 H new ATOM 0 HA3 GLY A 710 11.456 -8.065 16.410 1.00 24.41 H new ATOM 520 N THR A 711 8.368 -8.808 16.377 1.00 60.20 N ATOM 521 CA THR A 711 7.082 -8.482 16.876 1.00 64.31 C ATOM 522 C THR A 711 6.485 -9.713 17.582 1.00 64.54 C ATOM 523 O THR A 711 6.558 -9.768 18.830 1.00 36.85 O ATOM 524 CB THR A 711 6.142 -7.858 15.764 1.00 75.35 C ATOM 525 OG1 THR A 711 4.861 -7.492 16.305 1.00 51.20 O ATOM 526 CG2 THR A 711 5.956 -8.779 14.560 1.00 40.21 C ATOM 527 OXT THR A 711 6.021 -10.661 16.907 1.00 36.85 O ATOM 0 H THR A 711 8.456 -9.772 16.056 1.00 60.20 H new ATOM 0 HA THR A 711 7.174 -7.689 17.618 1.00 64.31 H new ATOM 0 HB THR A 711 6.649 -6.959 15.413 1.00 75.35 H new ATOM 0 HG1 THR A 711 4.304 -7.108 15.596 1.00 51.20 H new ATOM 0 HG21 THR A 711 5.303 -8.298 13.832 1.00 40.21 H new ATOM 0 HG22 THR A 711 6.925 -8.979 14.102 1.00 40.21 H new ATOM 0 HG23 THR A 711 5.508 -9.718 14.886 1.00 40.21 H new TER 535 THR A 711