USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 264 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 679 LYS NZ :NH3+ -118:sc= 0.642 (180deg=0.389) USER MOD Single : A 680 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 THR OG1 : rot 180:sc= 0 USER MOD Single : A 684 THR OG1 : rot -130:sc= 0.595 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 180:sc= 0 USER MOD Single : A 701 TYR OH : rot 85:sc= 1.22 USER MOD Single : A 702 SER OG : rot -35:sc= 0.158 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 -15.892 -7.575 10.826 1.00 35.25 N ATOM 2 CA LEU A 677 -15.421 -6.573 9.874 1.00 32.31 C ATOM 3 C LEU A 677 -14.295 -7.112 9.006 1.00 63.20 C ATOM 4 O LEU A 677 -13.170 -7.339 9.483 1.00 51.51 O ATOM 5 CB LEU A 677 -14.964 -5.288 10.591 1.00 43.30 C ATOM 6 CG LEU A 677 -14.351 -4.190 9.699 1.00 53.30 C ATOM 7 CD1 LEU A 677 -15.339 -3.709 8.650 1.00 64.23 C ATOM 8 CD2 LEU A 677 -13.852 -3.031 10.542 1.00 74.23 C ATOM 0 HA LEU A 677 -16.265 -6.329 9.229 1.00 32.31 H new ATOM 0 HB2 LEU A 677 -15.821 -4.865 11.114 1.00 43.30 H new ATOM 0 HB3 LEU A 677 -14.231 -5.562 11.350 1.00 43.30 H new ATOM 0 HG LEU A 677 -13.501 -4.625 9.174 1.00 53.30 H new ATOM 0 HD11 LEU A 677 -14.873 -2.935 8.039 1.00 64.23 H new ATOM 0 HD12 LEU A 677 -15.632 -4.545 8.015 1.00 64.23 H new ATOM 0 HD13 LEU A 677 -16.222 -3.301 9.142 1.00 64.23 H new ATOM 0 HD21 LEU A 677 -13.423 -2.267 9.893 1.00 74.23 H new ATOM 0 HD22 LEU A 677 -14.683 -2.605 11.104 1.00 74.23 H new ATOM 0 HD23 LEU A 677 -13.090 -3.387 11.236 1.00 74.23 H new ATOM 20 N GLY A 678 -14.599 -7.337 7.755 1.00 2.12 N ATOM 21 CA GLY A 678 -13.593 -7.711 6.814 1.00 35.35 C ATOM 22 C GLY A 678 -13.089 -6.464 6.148 1.00 70.30 C ATOM 23 O GLY A 678 -12.158 -5.819 6.641 1.00 63.04 O ATOM 0 H GLY A 678 -15.541 -7.266 7.369 1.00 2.12 H new ATOM 0 HA2 GLY A 678 -12.777 -8.231 7.316 1.00 35.35 H new ATOM 0 HA3 GLY A 678 -14.001 -8.399 6.074 1.00 35.35 H new ATOM 27 N LYS A 679 -13.709 -6.100 5.056 1.00 23.50 N ATOM 28 CA LYS A 679 -13.406 -4.864 4.376 1.00 32.41 C ATOM 29 C LYS A 679 -14.722 -4.172 4.093 1.00 13.10 C ATOM 30 O LYS A 679 -15.614 -4.753 3.465 1.00 33.21 O ATOM 31 CB LYS A 679 -12.600 -5.107 3.087 1.00 23.25 C ATOM 32 CG LYS A 679 -11.321 -5.899 3.331 1.00 31.21 C ATOM 33 CD LYS A 679 -10.455 -6.024 2.095 1.00 12.44 C ATOM 34 CE LYS A 679 -9.272 -6.935 2.380 1.00 53.45 C ATOM 35 NZ LYS A 679 -8.309 -6.986 1.263 1.00 62.21 N ATOM 0 H LYS A 679 -14.441 -6.653 4.610 1.00 23.50 H new ATOM 0 HA LYS A 679 -12.776 -4.233 5.003 1.00 32.41 H new ATOM 0 HB2 LYS A 679 -13.222 -5.643 2.370 1.00 23.25 H new ATOM 0 HB3 LYS A 679 -12.347 -4.148 2.636 1.00 23.25 H new ATOM 0 HG2 LYS A 679 -10.747 -5.416 4.122 1.00 31.21 H new ATOM 0 HG3 LYS A 679 -11.580 -6.896 3.688 1.00 31.21 H new ATOM 0 HD2 LYS A 679 -11.042 -6.424 1.268 1.00 12.44 H new ATOM 0 HD3 LYS A 679 -10.101 -5.040 1.788 1.00 12.44 H new ATOM 0 HE2 LYS A 679 -8.761 -6.590 3.279 1.00 53.45 H new ATOM 0 HE3 LYS A 679 -9.636 -7.942 2.587 1.00 53.45 H new ATOM 0 HZ1 LYS A 679 -8.252 -7.958 0.898 1.00 62.21 H new ATOM 0 HZ2 LYS A 679 -8.624 -6.349 0.504 1.00 62.21 H new ATOM 0 HZ3 LYS A 679 -7.371 -6.687 1.599 1.00 62.21 H new ATOM 49 N LYS A 680 -14.861 -2.954 4.571 1.00 74.14 N ATOM 50 CA LYS A 680 -16.127 -2.258 4.472 1.00 11.54 C ATOM 51 C LYS A 680 -16.330 -1.650 3.091 1.00 10.30 C ATOM 52 O LYS A 680 -17.385 -1.815 2.479 1.00 53.50 O ATOM 53 CB LYS A 680 -16.255 -1.195 5.569 1.00 42.54 C ATOM 54 CG LYS A 680 -17.610 -0.511 5.603 1.00 24.04 C ATOM 55 CD LYS A 680 -17.694 0.525 6.701 1.00 35.52 C ATOM 56 CE LYS A 680 -19.073 1.153 6.744 1.00 3.35 C ATOM 57 NZ LYS A 680 -19.173 2.202 7.778 1.00 55.12 N ATOM 0 H LYS A 680 -14.118 -2.427 5.030 1.00 74.14 H new ATOM 0 HA LYS A 680 -16.917 -2.994 4.620 1.00 11.54 H new ATOM 0 HB2 LYS A 680 -16.069 -1.661 6.537 1.00 42.54 H new ATOM 0 HB3 LYS A 680 -15.481 -0.441 5.424 1.00 42.54 H new ATOM 0 HG2 LYS A 680 -17.800 -0.036 4.641 1.00 24.04 H new ATOM 0 HG3 LYS A 680 -18.390 -1.258 5.749 1.00 24.04 H new ATOM 0 HD2 LYS A 680 -17.470 0.062 7.662 1.00 35.52 H new ATOM 0 HD3 LYS A 680 -16.943 1.297 6.537 1.00 35.52 H new ATOM 0 HE2 LYS A 680 -19.306 1.582 5.769 1.00 3.35 H new ATOM 0 HE3 LYS A 680 -19.817 0.380 6.939 1.00 3.35 H new ATOM 0 HZ1 LYS A 680 -20.132 2.604 7.773 1.00 55.12 H new ATOM 0 HZ2 LYS A 680 -18.976 1.789 8.712 1.00 55.12 H new ATOM 0 HZ3 LYS A 680 -18.481 2.953 7.579 1.00 55.12 H new ATOM 71 N ASP A 681 -15.338 -0.957 2.604 1.00 55.34 N ATOM 72 CA ASP A 681 -15.422 -0.342 1.292 1.00 54.10 C ATOM 73 C ASP A 681 -14.169 -0.601 0.518 1.00 52.54 C ATOM 74 O ASP A 681 -13.220 -1.197 1.029 1.00 1.44 O ATOM 75 CB ASP A 681 -15.630 1.187 1.373 1.00 11.32 C ATOM 76 CG ASP A 681 -16.974 1.621 1.903 1.00 32.55 C ATOM 77 OD1 ASP A 681 -17.945 1.671 1.111 1.00 51.22 O ATOM 78 OD2 ASP A 681 -17.076 1.956 3.101 1.00 15.52 O ATOM 0 H ASP A 681 -14.456 -0.799 3.091 1.00 55.34 H new ATOM 0 HA ASP A 681 -16.284 -0.787 0.795 1.00 54.10 H new ATOM 0 HB2 ASP A 681 -14.852 1.611 2.008 1.00 11.32 H new ATOM 0 HB3 ASP A 681 -15.495 1.610 0.378 1.00 11.32 H new ATOM 83 N THR A 682 -14.147 -0.131 -0.709 1.00 20.34 N ATOM 84 CA THR A 682 -12.976 -0.207 -1.538 1.00 73.02 C ATOM 85 C THR A 682 -11.919 0.728 -0.935 1.00 40.01 C ATOM 86 O THR A 682 -10.720 0.516 -1.068 1.00 14.40 O ATOM 87 CB THR A 682 -13.321 0.198 -2.976 1.00 54.04 C ATOM 88 OG1 THR A 682 -14.497 -0.525 -3.364 1.00 21.12 O ATOM 89 CG2 THR A 682 -12.197 -0.182 -3.924 1.00 13.15 C ATOM 0 H THR A 682 -14.947 0.316 -1.157 1.00 20.34 H new ATOM 0 HA THR A 682 -12.590 -1.226 -1.573 1.00 73.02 H new ATOM 0 HB THR A 682 -13.474 1.276 -3.022 1.00 54.04 H new ATOM 0 HG1 THR A 682 -14.742 -0.283 -4.282 1.00 21.12 H new ATOM 0 HG21 THR A 682 -12.462 0.114 -4.939 1.00 13.15 H new ATOM 0 HG22 THR A 682 -11.281 0.327 -3.625 1.00 13.15 H new ATOM 0 HG23 THR A 682 -12.041 -1.260 -3.889 1.00 13.15 H new ATOM 97 N GLU A 683 -12.408 1.759 -0.248 1.00 12.32 N ATOM 98 CA GLU A 683 -11.570 2.691 0.493 1.00 42.13 C ATOM 99 C GLU A 683 -10.751 1.947 1.542 1.00 62.32 C ATOM 100 O GLU A 683 -9.611 2.286 1.790 1.00 62.12 O ATOM 101 CB GLU A 683 -12.429 3.751 1.174 1.00 22.10 C ATOM 102 CG GLU A 683 -13.156 4.671 0.219 1.00 33.44 C ATOM 103 CD GLU A 683 -12.202 5.481 -0.620 1.00 65.14 C ATOM 104 OE1 GLU A 683 -11.769 6.556 -0.164 1.00 2.13 O ATOM 105 OE2 GLU A 683 -11.867 5.052 -1.744 1.00 45.14 O ATOM 0 H GLU A 683 -13.404 1.970 -0.192 1.00 12.32 H new ATOM 0 HA GLU A 683 -10.894 3.177 -0.210 1.00 42.13 H new ATOM 0 HB2 GLU A 683 -13.162 3.254 1.810 1.00 22.10 H new ATOM 0 HB3 GLU A 683 -11.795 4.351 1.827 1.00 22.10 H new ATOM 0 HG2 GLU A 683 -13.801 4.081 -0.432 1.00 33.44 H new ATOM 0 HG3 GLU A 683 -13.802 5.343 0.784 1.00 33.44 H new ATOM 112 N THR A 684 -11.344 0.903 2.127 1.00 22.23 N ATOM 113 CA THR A 684 -10.669 0.073 3.115 1.00 72.11 C ATOM 114 C THR A 684 -9.483 -0.639 2.449 1.00 15.35 C ATOM 115 O THR A 684 -8.426 -0.821 3.044 1.00 74.41 O ATOM 116 CB THR A 684 -11.649 -0.989 3.666 1.00 54.02 C ATOM 117 OG1 THR A 684 -12.855 -0.341 4.112 1.00 55.42 O ATOM 118 CG2 THR A 684 -11.027 -1.760 4.829 1.00 25.33 C ATOM 0 H THR A 684 -12.302 0.614 1.927 1.00 22.23 H new ATOM 0 HA THR A 684 -10.318 0.701 3.933 1.00 72.11 H new ATOM 0 HB THR A 684 -11.876 -1.695 2.867 1.00 54.02 H new ATOM 0 HG1 THR A 684 -13.074 -0.645 5.018 1.00 55.42 H new ATOM 0 HG21 THR A 684 -11.738 -2.500 5.197 1.00 25.33 H new ATOM 0 HG22 THR A 684 -10.122 -2.264 4.489 1.00 25.33 H new ATOM 0 HG23 THR A 684 -10.776 -1.067 5.632 1.00 25.33 H new ATOM 126 N VAL A 685 -9.676 -0.989 1.196 1.00 11.12 N ATOM 127 CA VAL A 685 -8.672 -1.658 0.399 1.00 34.23 C ATOM 128 C VAL A 685 -7.519 -0.715 0.112 1.00 13.43 C ATOM 129 O VAL A 685 -6.362 -1.090 0.202 1.00 44.10 O ATOM 130 CB VAL A 685 -9.272 -2.159 -0.919 1.00 45.54 C ATOM 131 CG1 VAL A 685 -8.233 -2.885 -1.766 1.00 73.32 C ATOM 132 CG2 VAL A 685 -10.451 -3.053 -0.634 1.00 45.50 C ATOM 0 H VAL A 685 -10.547 -0.814 0.695 1.00 11.12 H new ATOM 0 HA VAL A 685 -8.303 -2.515 0.963 1.00 34.23 H new ATOM 0 HB VAL A 685 -9.610 -1.296 -1.493 1.00 45.54 H new ATOM 0 HG11 VAL A 685 -8.694 -3.227 -2.693 1.00 73.32 H new ATOM 0 HG12 VAL A 685 -7.413 -2.205 -1.997 1.00 73.32 H new ATOM 0 HG13 VAL A 685 -7.849 -3.743 -1.214 1.00 73.32 H new ATOM 0 HG21 VAL A 685 -10.875 -3.407 -1.574 1.00 45.50 H new ATOM 0 HG22 VAL A 685 -10.125 -3.906 -0.039 1.00 45.50 H new ATOM 0 HG23 VAL A 685 -11.207 -2.494 -0.083 1.00 45.50 H new ATOM 142 N TYR A 686 -7.831 0.512 -0.215 1.00 23.24 N ATOM 143 CA TYR A 686 -6.786 1.479 -0.443 1.00 73.25 C ATOM 144 C TYR A 686 -6.152 1.897 0.863 1.00 52.50 C ATOM 145 O TYR A 686 -4.998 2.296 0.895 1.00 63.32 O ATOM 146 CB TYR A 686 -7.277 2.672 -1.228 1.00 51.02 C ATOM 147 CG TYR A 686 -7.766 2.312 -2.597 1.00 44.35 C ATOM 148 CD1 TYR A 686 -6.879 1.877 -3.570 1.00 53.03 C ATOM 149 CD2 TYR A 686 -9.104 2.402 -2.922 1.00 75.04 C ATOM 150 CE1 TYR A 686 -7.320 1.540 -4.829 1.00 65.20 C ATOM 151 CE2 TYR A 686 -9.552 2.070 -4.178 1.00 35.11 C ATOM 152 CZ TYR A 686 -8.656 1.639 -5.126 1.00 0.34 C ATOM 153 OH TYR A 686 -9.102 1.303 -6.382 1.00 63.13 O ATOM 0 H TYR A 686 -8.782 0.863 -0.328 1.00 23.24 H new ATOM 0 HA TYR A 686 -6.021 0.998 -1.053 1.00 73.25 H new ATOM 0 HB2 TYR A 686 -8.083 3.156 -0.676 1.00 51.02 H new ATOM 0 HB3 TYR A 686 -6.470 3.399 -1.316 1.00 51.02 H new ATOM 0 HD1 TYR A 686 -5.827 1.802 -3.336 1.00 53.03 H new ATOM 0 HD2 TYR A 686 -9.810 2.739 -2.178 1.00 75.04 H new ATOM 0 HE1 TYR A 686 -6.620 1.200 -5.578 1.00 65.20 H new ATOM 0 HE2 TYR A 686 -10.602 2.147 -4.418 1.00 35.11 H new ATOM 0 HH TYR A 686 -10.073 1.428 -6.429 1.00 63.13 H new ATOM 163 N SER A 687 -6.898 1.765 1.935 1.00 55.33 N ATOM 164 CA SER A 687 -6.391 2.070 3.247 1.00 41.05 C ATOM 165 C SER A 687 -5.343 1.025 3.624 1.00 53.13 C ATOM 166 O SER A 687 -4.250 1.371 4.085 1.00 1.01 O ATOM 167 CB SER A 687 -7.530 2.125 4.284 1.00 42.24 C ATOM 168 OG SER A 687 -7.060 2.551 5.552 1.00 53.33 O ATOM 0 H SER A 687 -7.866 1.445 1.920 1.00 55.33 H new ATOM 0 HA SER A 687 -5.927 3.056 3.238 1.00 41.05 H new ATOM 0 HB2 SER A 687 -8.307 2.805 3.936 1.00 42.24 H new ATOM 0 HB3 SER A 687 -7.987 1.140 4.377 1.00 42.24 H new ATOM 0 HG SER A 687 -7.807 2.577 6.186 1.00 53.33 H new ATOM 174 N GLU A 688 -5.660 -0.261 3.395 1.00 64.42 N ATOM 175 CA GLU A 688 -4.691 -1.312 3.635 1.00 34.33 C ATOM 176 C GLU A 688 -3.502 -1.182 2.697 1.00 5.13 C ATOM 177 O GLU A 688 -2.383 -1.512 3.071 1.00 15.01 O ATOM 178 CB GLU A 688 -5.293 -2.724 3.624 1.00 2.25 C ATOM 179 CG GLU A 688 -6.102 -3.053 2.407 1.00 65.13 C ATOM 180 CD GLU A 688 -6.542 -4.477 2.362 1.00 3.55 C ATOM 181 OE1 GLU A 688 -7.175 -4.944 3.314 1.00 73.14 O ATOM 182 OE2 GLU A 688 -6.243 -5.173 1.365 1.00 1.22 O ATOM 0 H GLU A 688 -6.565 -0.581 3.051 1.00 64.42 H new ATOM 0 HA GLU A 688 -4.332 -1.171 4.654 1.00 34.33 H new ATOM 0 HB2 GLU A 688 -4.484 -3.449 3.712 1.00 2.25 H new ATOM 0 HB3 GLU A 688 -5.924 -2.842 4.505 1.00 2.25 H new ATOM 0 HG2 GLU A 688 -6.979 -2.407 2.376 1.00 65.13 H new ATOM 0 HG3 GLU A 688 -5.513 -2.833 1.517 1.00 65.13 H new ATOM 189 N VAL A 689 -3.739 -0.671 1.485 1.00 72.43 N ATOM 190 CA VAL A 689 -2.649 -0.383 0.558 1.00 5.11 C ATOM 191 C VAL A 689 -1.769 0.715 1.124 1.00 73.25 C ATOM 192 O VAL A 689 -0.564 0.604 1.102 1.00 53.31 O ATOM 193 CB VAL A 689 -3.140 -0.019 -0.877 1.00 11.30 C ATOM 194 CG1 VAL A 689 -1.974 0.403 -1.769 1.00 44.34 C ATOM 195 CG2 VAL A 689 -3.814 -1.218 -1.488 1.00 13.24 C ATOM 0 H VAL A 689 -4.669 -0.451 1.128 1.00 72.43 H new ATOM 0 HA VAL A 689 -2.069 -1.299 0.452 1.00 5.11 H new ATOM 0 HB VAL A 689 -3.837 0.815 -0.800 1.00 11.30 H new ATOM 0 HG11 VAL A 689 -2.347 0.651 -2.763 1.00 44.34 H new ATOM 0 HG12 VAL A 689 -1.483 1.276 -1.338 1.00 44.34 H new ATOM 0 HG13 VAL A 689 -1.258 -0.416 -1.844 1.00 44.34 H new ATOM 0 HG21 VAL A 689 -4.159 -0.969 -2.491 1.00 13.24 H new ATOM 0 HG22 VAL A 689 -3.106 -2.045 -1.543 1.00 13.24 H new ATOM 0 HG23 VAL A 689 -4.666 -1.509 -0.873 1.00 13.24 H new ATOM 205 N ARG A 690 -2.383 1.746 1.670 1.00 30.11 N ATOM 206 CA ARG A 690 -1.660 2.826 2.313 1.00 4.23 C ATOM 207 C ARG A 690 -0.829 2.329 3.482 1.00 20.13 C ATOM 208 O ARG A 690 0.216 2.874 3.770 1.00 14.51 O ATOM 209 CB ARG A 690 -2.615 3.931 2.747 1.00 50.40 C ATOM 210 CG ARG A 690 -3.181 4.753 1.609 1.00 31.10 C ATOM 211 CD ARG A 690 -2.077 5.481 0.857 1.00 1.20 C ATOM 212 NE ARG A 690 -2.607 6.320 -0.211 1.00 33.33 N ATOM 213 CZ ARG A 690 -1.880 7.156 -0.959 1.00 11.41 C ATOM 214 NH1 ARG A 690 -0.568 7.284 -0.744 1.00 35.44 N ATOM 215 NH2 ARG A 690 -2.462 7.868 -1.911 1.00 0.20 N ATOM 0 H ARG A 690 -3.397 1.859 1.681 1.00 30.11 H new ATOM 0 HA ARG A 690 -0.968 3.242 1.581 1.00 4.23 H new ATOM 0 HB2 ARG A 690 -3.440 3.484 3.301 1.00 50.40 H new ATOM 0 HB3 ARG A 690 -2.093 4.596 3.435 1.00 50.40 H new ATOM 0 HG2 ARG A 690 -3.725 4.104 0.923 1.00 31.10 H new ATOM 0 HG3 ARG A 690 -3.897 5.476 2.000 1.00 31.10 H new ATOM 0 HD2 ARG A 690 -1.508 6.097 1.554 1.00 1.20 H new ATOM 0 HD3 ARG A 690 -1.384 4.753 0.436 1.00 1.20 H new ATOM 0 HE ARG A 690 -3.607 6.265 -0.402 1.00 33.33 H new ATOM 0 HH11 ARG A 690 -0.117 6.743 -0.007 1.00 35.44 H new ATOM 0 HH12 ARG A 690 -0.017 7.923 -1.317 1.00 35.44 H new ATOM 0 HH21 ARG A 690 -3.465 7.779 -2.074 1.00 0.20 H new ATOM 0 HH22 ARG A 690 -1.908 8.506 -2.482 1.00 0.20 H new ATOM 229 N LYS A 691 -1.302 1.308 4.153 1.00 23.33 N ATOM 230 CA LYS A 691 -0.550 0.690 5.239 1.00 50.32 C ATOM 231 C LYS A 691 0.570 -0.195 4.664 1.00 40.02 C ATOM 232 O LYS A 691 1.657 -0.296 5.230 1.00 1.22 O ATOM 233 CB LYS A 691 -1.482 -0.146 6.107 1.00 43.13 C ATOM 234 CG LYS A 691 -2.629 0.632 6.719 1.00 71.11 C ATOM 235 CD LYS A 691 -3.562 -0.283 7.482 1.00 41.45 C ATOM 236 CE LYS A 691 -4.757 0.473 8.018 1.00 71.13 C ATOM 237 NZ LYS A 691 -5.689 -0.405 8.746 1.00 70.40 N ATOM 0 H LYS A 691 -2.209 0.879 3.971 1.00 23.33 H new ATOM 0 HA LYS A 691 -0.103 1.473 5.852 1.00 50.32 H new ATOM 0 HB2 LYS A 691 -1.890 -0.958 5.505 1.00 43.13 H new ATOM 0 HB3 LYS A 691 -0.901 -0.604 6.907 1.00 43.13 H new ATOM 0 HG2 LYS A 691 -2.237 1.397 7.389 1.00 71.11 H new ATOM 0 HG3 LYS A 691 -3.182 1.148 5.934 1.00 71.11 H new ATOM 0 HD2 LYS A 691 -3.901 -1.087 6.829 1.00 41.45 H new ATOM 0 HD3 LYS A 691 -3.024 -0.749 8.307 1.00 41.45 H new ATOM 0 HE2 LYS A 691 -4.415 1.267 8.682 1.00 71.13 H new ATOM 0 HE3 LYS A 691 -5.282 0.952 7.192 1.00 71.13 H new ATOM 0 HZ1 LYS A 691 -6.492 0.155 9.095 1.00 70.40 H new ATOM 0 HZ2 LYS A 691 -6.037 -1.148 8.107 1.00 70.40 H new ATOM 0 HZ3 LYS A 691 -5.197 -0.843 9.550 1.00 70.40 H new ATOM 251 N ALA A 692 0.281 -0.812 3.526 1.00 32.54 N ATOM 252 CA ALA A 692 1.200 -1.716 2.852 1.00 10.42 C ATOM 253 C ALA A 692 2.365 -0.973 2.201 1.00 42.20 C ATOM 254 O ALA A 692 3.471 -1.474 2.186 1.00 72.21 O ATOM 255 CB ALA A 692 0.453 -2.559 1.813 1.00 72.00 C ATOM 0 H ALA A 692 -0.609 -0.697 3.040 1.00 32.54 H new ATOM 0 HA ALA A 692 1.622 -2.376 3.610 1.00 10.42 H new ATOM 0 HB1 ALA A 692 1.154 -3.230 1.317 1.00 72.00 H new ATOM 0 HB2 ALA A 692 -0.322 -3.144 2.308 1.00 72.00 H new ATOM 0 HB3 ALA A 692 -0.006 -1.903 1.073 1.00 72.00 H new ATOM 261 N VAL A 693 2.099 0.224 1.673 1.00 63.41 N ATOM 262 CA VAL A 693 3.125 1.051 0.997 1.00 51.23 C ATOM 263 C VAL A 693 4.437 1.205 1.835 1.00 24.14 C ATOM 264 O VAL A 693 5.504 0.777 1.375 1.00 3.13 O ATOM 265 CB VAL A 693 2.566 2.456 0.547 1.00 40.20 C ATOM 266 CG1 VAL A 693 3.651 3.327 -0.067 1.00 0.42 C ATOM 267 CG2 VAL A 693 1.436 2.289 -0.456 1.00 32.12 C ATOM 0 H VAL A 693 1.174 0.654 1.697 1.00 63.41 H new ATOM 0 HA VAL A 693 3.391 0.501 0.094 1.00 51.23 H new ATOM 0 HB VAL A 693 2.192 2.949 1.444 1.00 40.20 H new ATOM 0 HG11 VAL A 693 3.224 4.285 -0.363 1.00 0.42 H new ATOM 0 HG12 VAL A 693 4.442 3.493 0.664 1.00 0.42 H new ATOM 0 HG13 VAL A 693 4.066 2.828 -0.943 1.00 0.42 H new ATOM 0 HG21 VAL A 693 1.065 3.270 -0.753 1.00 32.12 H new ATOM 0 HG22 VAL A 693 1.805 1.759 -1.334 1.00 32.12 H new ATOM 0 HG23 VAL A 693 0.627 1.718 -0.001 1.00 32.12 H new ATOM 277 N PRO A 694 4.385 1.789 3.076 1.00 54.44 N ATOM 278 CA PRO A 694 5.581 1.947 3.905 1.00 64.15 C ATOM 279 C PRO A 694 6.189 0.598 4.297 1.00 0.11 C ATOM 280 O PRO A 694 7.405 0.461 4.392 1.00 55.35 O ATOM 281 CB PRO A 694 5.083 2.694 5.149 1.00 40.10 C ATOM 282 CG PRO A 694 3.620 2.452 5.171 1.00 50.41 C ATOM 283 CD PRO A 694 3.199 2.348 3.739 1.00 62.41 C ATOM 0 HA PRO A 694 6.370 2.479 3.374 1.00 64.15 H new ATOM 0 HB2 PRO A 694 5.560 2.319 6.054 1.00 40.10 H new ATOM 0 HB3 PRO A 694 5.308 3.759 5.088 1.00 40.10 H new ATOM 0 HG2 PRO A 694 3.384 1.537 5.715 1.00 50.41 H new ATOM 0 HG3 PRO A 694 3.097 3.266 5.674 1.00 50.41 H new ATOM 0 HD2 PRO A 694 2.330 1.700 3.621 1.00 62.41 H new ATOM 0 HD3 PRO A 694 2.930 3.321 3.328 1.00 62.41 H new ATOM 291 N ASP A 695 5.343 -0.395 4.493 1.00 61.41 N ATOM 292 CA ASP A 695 5.802 -1.723 4.863 1.00 51.54 C ATOM 293 C ASP A 695 6.613 -2.319 3.724 1.00 20.13 C ATOM 294 O ASP A 695 7.731 -2.830 3.924 1.00 41.34 O ATOM 295 CB ASP A 695 4.613 -2.630 5.184 1.00 44.10 C ATOM 296 CG ASP A 695 5.036 -4.016 5.613 1.00 10.20 C ATOM 297 OD1 ASP A 695 5.238 -4.229 6.828 1.00 45.32 O ATOM 298 OD2 ASP A 695 5.158 -4.913 4.757 1.00 1.12 O ATOM 0 H ASP A 695 4.331 -0.308 4.402 1.00 61.41 H new ATOM 0 HA ASP A 695 6.428 -1.643 5.752 1.00 51.54 H new ATOM 0 HB2 ASP A 695 4.017 -2.175 5.975 1.00 44.10 H new ATOM 0 HB3 ASP A 695 3.972 -2.706 4.306 1.00 44.10 H new ATOM 303 N ALA A 696 6.057 -2.212 2.533 1.00 43.14 N ATOM 304 CA ALA A 696 6.666 -2.719 1.331 1.00 11.12 C ATOM 305 C ALA A 696 7.969 -2.017 1.030 1.00 15.22 C ATOM 306 O ALA A 696 8.969 -2.676 0.777 1.00 1.24 O ATOM 307 CB ALA A 696 5.714 -2.601 0.154 1.00 13.23 C ATOM 0 H ALA A 696 5.155 -1.762 2.377 1.00 43.14 H new ATOM 0 HA ALA A 696 6.887 -3.774 1.496 1.00 11.12 H new ATOM 0 HB1 ALA A 696 6.195 -2.990 -0.743 1.00 13.23 H new ATOM 0 HB2 ALA A 696 4.810 -3.174 0.359 1.00 13.23 H new ATOM 0 HB3 ALA A 696 5.453 -1.554 0.001 1.00 13.23 H new ATOM 313 N VAL A 697 7.974 -0.677 1.085 1.00 44.01 N ATOM 314 CA VAL A 697 9.185 0.088 0.766 1.00 1.42 C ATOM 315 C VAL A 697 10.348 -0.286 1.691 1.00 44.45 C ATOM 316 O VAL A 697 11.465 -0.486 1.230 1.00 11.30 O ATOM 317 CB VAL A 697 8.978 1.642 0.741 1.00 34.31 C ATOM 318 CG1 VAL A 697 8.564 2.190 2.086 1.00 1.23 C ATOM 319 CG2 VAL A 697 10.242 2.315 0.267 1.00 24.31 C ATOM 0 H VAL A 697 7.167 -0.110 1.343 1.00 44.01 H new ATOM 0 HA VAL A 697 9.436 -0.198 -0.255 1.00 1.42 H new ATOM 0 HB VAL A 697 8.164 1.855 0.048 1.00 34.31 H new ATOM 0 HG11 VAL A 697 8.434 3.270 2.015 1.00 1.23 H new ATOM 0 HG12 VAL A 697 7.624 1.731 2.392 1.00 1.23 H new ATOM 0 HG13 VAL A 697 9.335 1.966 2.823 1.00 1.23 H new ATOM 0 HG21 VAL A 697 10.095 3.395 0.251 1.00 24.31 H new ATOM 0 HG22 VAL A 697 11.060 2.070 0.944 1.00 24.31 H new ATOM 0 HG23 VAL A 697 10.485 1.967 -0.737 1.00 24.31 H new ATOM 329 N GLU A 698 10.063 -0.421 2.977 1.00 51.11 N ATOM 330 CA GLU A 698 11.061 -0.825 3.960 1.00 1.12 C ATOM 331 C GLU A 698 11.677 -2.167 3.586 1.00 0.15 C ATOM 332 O GLU A 698 12.886 -2.359 3.693 1.00 0.43 O ATOM 333 CB GLU A 698 10.439 -0.886 5.348 1.00 41.32 C ATOM 334 CG GLU A 698 10.067 0.475 5.904 1.00 22.41 C ATOM 335 CD GLU A 698 11.277 1.312 6.225 1.00 24.43 C ATOM 336 OE1 GLU A 698 11.887 1.898 5.307 1.00 61.05 O ATOM 337 OE2 GLU A 698 11.647 1.389 7.419 1.00 61.12 O ATOM 0 H GLU A 698 9.136 -0.255 3.370 1.00 51.11 H new ATOM 0 HA GLU A 698 11.857 -0.081 3.969 1.00 1.12 H new ATOM 0 HB2 GLU A 698 9.547 -1.511 5.311 1.00 41.32 H new ATOM 0 HB3 GLU A 698 11.138 -1.370 6.030 1.00 41.32 H new ATOM 0 HG2 GLU A 698 9.445 1.002 5.181 1.00 22.41 H new ATOM 0 HG3 GLU A 698 9.468 0.345 6.806 1.00 22.41 H new ATOM 344 N SER A 699 10.847 -3.069 3.113 1.00 73.41 N ATOM 345 CA SER A 699 11.296 -4.369 2.687 1.00 44.23 C ATOM 346 C SER A 699 12.090 -4.247 1.358 1.00 63.31 C ATOM 347 O SER A 699 13.032 -5.014 1.109 1.00 25.31 O ATOM 348 CB SER A 699 10.093 -5.320 2.550 1.00 73.31 C ATOM 349 OG SER A 699 10.500 -6.652 2.262 1.00 45.22 O ATOM 0 H SER A 699 9.843 -2.919 3.014 1.00 73.41 H new ATOM 0 HA SER A 699 11.968 -4.789 3.436 1.00 44.23 H new ATOM 0 HB2 SER A 699 9.514 -5.309 3.474 1.00 73.31 H new ATOM 0 HB3 SER A 699 9.436 -4.962 1.758 1.00 73.31 H new ATOM 0 HG SER A 699 9.710 -7.226 2.184 1.00 45.22 H new ATOM 355 N ARG A 700 11.727 -3.250 0.538 1.00 74.44 N ATOM 356 CA ARG A 700 12.401 -2.999 -0.741 1.00 52.12 C ATOM 357 C ARG A 700 13.820 -2.490 -0.531 1.00 71.13 C ATOM 358 O ARG A 700 14.663 -2.582 -1.429 1.00 62.41 O ATOM 359 CB ARG A 700 11.621 -2.016 -1.633 1.00 2.01 C ATOM 360 CG ARG A 700 10.224 -2.478 -2.025 1.00 70.34 C ATOM 361 CD ARG A 700 10.243 -3.828 -2.730 1.00 3.41 C ATOM 362 NE ARG A 700 11.075 -3.819 -3.936 1.00 21.31 N ATOM 363 CZ ARG A 700 11.140 -4.810 -4.825 1.00 31.21 C ATOM 364 NH1 ARG A 700 10.391 -5.903 -4.667 1.00 40.34 N ATOM 365 NH2 ARG A 700 11.956 -4.709 -5.864 1.00 10.43 N ATOM 0 H ARG A 700 10.966 -2.602 0.741 1.00 74.44 H new ATOM 0 HA ARG A 700 12.441 -3.959 -1.256 1.00 52.12 H new ATOM 0 HB2 ARG A 700 11.540 -1.062 -1.113 1.00 2.01 H new ATOM 0 HB3 ARG A 700 12.197 -1.836 -2.541 1.00 2.01 H new ATOM 0 HG2 ARG A 700 9.601 -2.544 -1.133 1.00 70.34 H new ATOM 0 HG3 ARG A 700 9.767 -1.735 -2.678 1.00 70.34 H new ATOM 0 HD2 ARG A 700 10.614 -4.588 -2.042 1.00 3.41 H new ATOM 0 HD3 ARG A 700 9.224 -4.109 -2.997 1.00 3.41 H new ATOM 0 HE ARG A 700 11.647 -2.992 -4.108 1.00 21.31 H new ATOM 0 HH11 ARG A 700 9.767 -5.982 -3.864 1.00 40.34 H new ATOM 0 HH12 ARG A 700 10.443 -6.660 -5.349 1.00 40.34 H new ATOM 0 HH21 ARG A 700 12.532 -3.875 -5.981 1.00 10.43 H new ATOM 0 HH22 ARG A 700 12.009 -5.465 -6.547 1.00 10.43 H new ATOM 379 N TYR A 701 14.085 -1.933 0.639 1.00 21.54 N ATOM 380 CA TYR A 701 15.430 -1.521 0.973 1.00 34.13 C ATOM 381 C TYR A 701 16.327 -2.724 1.262 1.00 72.04 C ATOM 382 O TYR A 701 16.510 -3.129 2.410 1.00 2.02 O ATOM 383 CB TYR A 701 15.487 -0.515 2.124 1.00 4.31 C ATOM 384 CG TYR A 701 14.983 0.879 1.810 1.00 3.24 C ATOM 385 CD1 TYR A 701 15.821 1.819 1.222 1.00 23.24 C ATOM 386 CD2 TYR A 701 13.693 1.272 2.130 1.00 3.13 C ATOM 387 CE1 TYR A 701 15.380 3.101 0.971 1.00 13.53 C ATOM 388 CE2 TYR A 701 13.253 2.534 1.879 1.00 42.34 C ATOM 389 CZ TYR A 701 14.093 3.451 1.305 1.00 71.55 C ATOM 390 OH TYR A 701 13.642 4.728 1.067 1.00 11.52 O ATOM 0 H TYR A 701 13.390 -1.759 1.365 1.00 21.54 H new ATOM 0 HA TYR A 701 15.810 -1.006 0.091 1.00 34.13 H new ATOM 0 HB2 TYR A 701 14.906 -0.912 2.957 1.00 4.31 H new ATOM 0 HB3 TYR A 701 16.520 -0.439 2.464 1.00 4.31 H new ATOM 0 HD1 TYR A 701 16.831 1.542 0.958 1.00 23.24 H new ATOM 0 HD2 TYR A 701 13.023 0.560 2.589 1.00 3.13 H new ATOM 0 HE1 TYR A 701 16.040 3.824 0.516 1.00 13.53 H new ATOM 0 HE2 TYR A 701 12.241 2.813 2.132 1.00 42.34 H new ATOM 0 HH TYR A 701 13.323 4.795 0.143 1.00 11.52 H new ATOM 400 N SER A 702 16.791 -3.329 0.206 1.00 10.35 N ATOM 401 CA SER A 702 17.717 -4.430 0.267 1.00 14.34 C ATOM 402 C SER A 702 18.746 -4.195 -0.842 1.00 42.34 C ATOM 403 O SER A 702 19.530 -5.067 -1.209 1.00 43.41 O ATOM 404 CB SER A 702 16.951 -5.755 0.047 1.00 14.14 C ATOM 405 OG SER A 702 17.780 -6.895 0.274 1.00 22.13 O ATOM 0 H SER A 702 16.531 -3.066 -0.745 1.00 10.35 H new ATOM 0 HA SER A 702 18.214 -4.495 1.235 1.00 14.34 H new ATOM 0 HB2 SER A 702 16.091 -5.793 0.716 1.00 14.14 H new ATOM 0 HB3 SER A 702 16.564 -5.785 -0.971 1.00 14.14 H new ATOM 0 HG SER A 702 18.694 -6.699 -0.020 1.00 22.13 H new ATOM 411 N ARG A 703 18.739 -2.973 -1.324 1.00 5.33 N ATOM 412 CA ARG A 703 19.563 -2.515 -2.409 1.00 20.41 C ATOM 413 C ARG A 703 19.555 -1.005 -2.368 1.00 62.35 C ATOM 414 O ARG A 703 18.982 -0.426 -1.429 1.00 0.35 O ATOM 415 CB ARG A 703 19.010 -3.023 -3.757 1.00 71.43 C ATOM 416 CG ARG A 703 17.574 -2.589 -4.061 1.00 64.10 C ATOM 417 CD ARG A 703 17.091 -3.136 -5.402 1.00 33.25 C ATOM 418 NE ARG A 703 17.155 -4.603 -5.448 1.00 12.44 N ATOM 419 CZ ARG A 703 16.496 -5.384 -6.310 1.00 35.40 C ATOM 420 NH1 ARG A 703 15.649 -4.862 -7.183 1.00 35.13 N ATOM 421 NH2 ARG A 703 16.672 -6.696 -6.277 1.00 4.11 N ATOM 0 H ARG A 703 18.131 -2.243 -0.952 1.00 5.33 H new ATOM 0 HA ARG A 703 20.579 -2.897 -2.310 1.00 20.41 H new ATOM 0 HB2 ARG A 703 19.660 -2.669 -4.558 1.00 71.43 H new ATOM 0 HB3 ARG A 703 19.056 -4.112 -3.766 1.00 71.43 H new ATOM 0 HG2 ARG A 703 16.913 -2.936 -3.267 1.00 64.10 H new ATOM 0 HG3 ARG A 703 17.517 -1.501 -4.070 1.00 64.10 H new ATOM 0 HD2 ARG A 703 16.066 -2.811 -5.579 1.00 33.25 H new ATOM 0 HD3 ARG A 703 17.700 -2.720 -6.205 1.00 33.25 H new ATOM 0 HE ARG A 703 17.754 -5.065 -4.764 1.00 12.44 H new ATOM 0 HH11 ARG A 703 15.494 -3.854 -7.203 1.00 35.13 H new ATOM 0 HH12 ARG A 703 15.152 -5.468 -7.836 1.00 35.13 H new ATOM 0 HH21 ARG A 703 17.309 -7.108 -5.595 1.00 4.11 H new ATOM 0 HH22 ARG A 703 16.171 -7.294 -6.933 1.00 4.11 H new ATOM 435 N THR A 704 20.157 -0.362 -3.335 1.00 2.03 N ATOM 436 CA THR A 704 20.161 1.054 -3.381 1.00 5.12 C ATOM 437 C THR A 704 18.790 1.510 -3.893 1.00 44.24 C ATOM 438 O THR A 704 18.141 0.792 -4.672 1.00 31.03 O ATOM 439 CB THR A 704 21.220 1.524 -4.368 1.00 5.14 C ATOM 440 OG1 THR A 704 22.440 0.778 -4.159 1.00 14.43 O ATOM 441 CG2 THR A 704 21.518 2.986 -4.156 1.00 13.34 C ATOM 0 H THR A 704 20.652 -0.814 -4.103 1.00 2.03 H new ATOM 0 HA THR A 704 20.371 1.463 -2.393 1.00 5.12 H new ATOM 0 HB THR A 704 20.845 1.367 -5.379 1.00 5.14 H new ATOM 0 HG1 THR A 704 23.121 1.080 -4.796 1.00 14.43 H new ATOM 0 HG21 THR A 704 22.277 3.310 -4.868 1.00 13.34 H new ATOM 0 HG22 THR A 704 20.609 3.568 -4.305 1.00 13.34 H new ATOM 0 HG23 THR A 704 21.884 3.139 -3.141 1.00 13.34 H new ATOM 449 N GLU A 705 18.346 2.658 -3.465 1.00 34.14 N ATOM 450 CA GLU A 705 17.089 3.164 -3.928 1.00 43.40 C ATOM 451 C GLU A 705 17.284 3.866 -5.256 1.00 32.33 C ATOM 452 O GLU A 705 17.775 5.002 -5.320 1.00 50.53 O ATOM 453 CB GLU A 705 16.413 4.086 -2.904 1.00 24.35 C ATOM 454 CG GLU A 705 15.059 4.607 -3.371 1.00 51.13 C ATOM 455 CD GLU A 705 14.375 5.491 -2.367 1.00 25.02 C ATOM 456 OE1 GLU A 705 13.620 4.974 -1.529 1.00 63.43 O ATOM 457 OE2 GLU A 705 14.549 6.722 -2.426 1.00 45.33 O ATOM 0 H GLU A 705 18.834 3.257 -2.799 1.00 34.14 H new ATOM 0 HA GLU A 705 16.415 2.318 -4.063 1.00 43.40 H new ATOM 0 HB2 GLU A 705 16.284 3.545 -1.967 1.00 24.35 H new ATOM 0 HB3 GLU A 705 17.069 4.931 -2.696 1.00 24.35 H new ATOM 0 HG2 GLU A 705 15.193 5.162 -4.299 1.00 51.13 H new ATOM 0 HG3 GLU A 705 14.412 3.760 -3.597 1.00 51.13 H new ATOM 464 N GLY A 706 16.966 3.172 -6.303 1.00 74.45 N ATOM 465 CA GLY A 706 17.075 3.714 -7.625 1.00 63.21 C ATOM 466 C GLY A 706 16.205 2.957 -8.579 1.00 12.04 C ATOM 467 O GLY A 706 16.430 2.961 -9.787 1.00 35.33 O ATOM 0 H GLY A 706 16.623 2.212 -6.268 1.00 74.45 H new ATOM 0 HA2 GLY A 706 16.787 4.765 -7.618 1.00 63.21 H new ATOM 0 HA3 GLY A 706 18.112 3.670 -7.957 1.00 63.21 H new ATOM 471 N SER A 707 15.212 2.295 -8.042 1.00 40.13 N ATOM 472 CA SER A 707 14.314 1.536 -8.848 1.00 1.42 C ATOM 473 C SER A 707 13.191 2.428 -9.316 1.00 32.34 C ATOM 474 O SER A 707 12.663 3.244 -8.540 1.00 55.54 O ATOM 475 CB SER A 707 13.746 0.372 -8.049 1.00 52.02 C ATOM 476 OG SER A 707 14.790 -0.405 -7.468 1.00 53.04 O ATOM 0 H SER A 707 15.011 2.272 -7.042 1.00 40.13 H new ATOM 0 HA SER A 707 14.852 1.140 -9.709 1.00 1.42 H new ATOM 0 HB2 SER A 707 13.090 0.750 -7.265 1.00 52.02 H new ATOM 0 HB3 SER A 707 13.137 -0.257 -8.698 1.00 52.02 H new ATOM 0 HG SER A 707 14.401 -1.146 -6.958 1.00 53.04 H new ATOM 482 N LEU A 708 12.854 2.312 -10.558 1.00 0.43 N ATOM 483 CA LEU A 708 11.759 3.041 -11.098 1.00 65.02 C ATOM 484 C LEU A 708 10.495 2.292 -10.751 1.00 22.15 C ATOM 485 O LEU A 708 10.206 1.220 -11.309 1.00 42.02 O ATOM 486 CB LEU A 708 11.954 3.244 -12.632 1.00 23.12 C ATOM 487 CG LEU A 708 10.882 4.040 -13.432 1.00 31.25 C ATOM 488 CD1 LEU A 708 11.432 4.407 -14.798 1.00 72.30 C ATOM 489 CD2 LEU A 708 9.622 3.210 -13.642 1.00 45.15 C ATOM 0 H LEU A 708 13.332 1.708 -11.226 1.00 0.43 H new ATOM 0 HA LEU A 708 11.693 4.042 -10.672 1.00 65.02 H new ATOM 0 HB2 LEU A 708 12.912 3.744 -12.778 1.00 23.12 H new ATOM 0 HB3 LEU A 708 12.037 2.257 -13.086 1.00 23.12 H new ATOM 0 HG LEU A 708 10.636 4.933 -12.857 1.00 31.25 H new ATOM 0 HD11 LEU A 708 10.679 4.964 -15.356 1.00 72.30 H new ATOM 0 HD12 LEU A 708 12.324 5.022 -14.678 1.00 72.30 H new ATOM 0 HD13 LEU A 708 11.689 3.499 -15.343 1.00 72.30 H new ATOM 0 HD21 LEU A 708 8.892 3.793 -14.204 1.00 45.15 H new ATOM 0 HD22 LEU A 708 9.870 2.306 -14.198 1.00 45.15 H new ATOM 0 HD23 LEU A 708 9.201 2.936 -12.674 1.00 45.15 H new ATOM 501 N ASP A 709 9.771 2.807 -9.800 1.00 22.02 N ATOM 502 CA ASP A 709 8.536 2.190 -9.419 1.00 22.34 C ATOM 503 C ASP A 709 7.415 2.896 -10.105 1.00 34.31 C ATOM 504 O ASP A 709 6.883 3.896 -9.621 1.00 45.25 O ATOM 505 CB ASP A 709 8.337 2.133 -7.897 1.00 74.14 C ATOM 506 CG ASP A 709 7.064 1.390 -7.503 1.00 41.24 C ATOM 507 OD1 ASP A 709 7.057 0.138 -7.534 1.00 62.21 O ATOM 508 OD2 ASP A 709 6.051 2.043 -7.158 1.00 51.22 O ATOM 0 H ASP A 709 10.013 3.648 -9.277 1.00 22.02 H new ATOM 0 HA ASP A 709 8.558 1.148 -9.738 1.00 22.34 H new ATOM 0 HB2 ASP A 709 9.196 1.643 -7.439 1.00 74.14 H new ATOM 0 HB3 ASP A 709 8.300 3.148 -7.500 1.00 74.14 H new ATOM 513 N GLY A 710 7.140 2.433 -11.283 1.00 54.10 N ATOM 514 CA GLY A 710 6.117 2.984 -12.098 1.00 21.12 C ATOM 515 C GLY A 710 5.554 1.927 -12.976 1.00 62.41 C ATOM 516 O GLY A 710 5.812 1.889 -14.182 1.00 4.24 O ATOM 0 H GLY A 710 7.632 1.647 -11.708 1.00 54.10 H new ATOM 0 HA2 GLY A 710 5.331 3.409 -11.474 1.00 21.12 H new ATOM 0 HA3 GLY A 710 6.519 3.797 -12.703 1.00 21.12 H new ATOM 520 N THR A 711 4.830 1.049 -12.380 1.00 21.45 N ATOM 521 CA THR A 711 4.232 -0.036 -13.063 1.00 2.12 C ATOM 522 C THR A 711 2.727 0.253 -13.224 1.00 2.42 C ATOM 523 O THR A 711 2.321 0.676 -14.332 1.00 36.08 O ATOM 524 CB THR A 711 4.551 -1.419 -12.353 1.00 74.45 C ATOM 525 OG1 THR A 711 3.938 -2.530 -13.033 1.00 60.11 O ATOM 526 CG2 THR A 711 4.166 -1.426 -10.872 1.00 44.00 C ATOM 527 OXT THR A 711 1.969 0.148 -12.240 1.00 36.08 O ATOM 0 H THR A 711 4.633 1.067 -11.379 1.00 21.45 H new ATOM 0 HA THR A 711 4.659 -0.136 -14.061 1.00 2.12 H new ATOM 0 HB THR A 711 5.633 -1.536 -12.412 1.00 74.45 H new ATOM 0 HG1 THR A 711 4.160 -3.362 -12.566 1.00 60.11 H new ATOM 0 HG21 THR A 711 4.407 -2.397 -10.438 1.00 44.00 H new ATOM 0 HG22 THR A 711 4.720 -0.647 -10.348 1.00 44.00 H new ATOM 0 HG23 THR A 711 3.097 -1.240 -10.773 1.00 44.00 H new TER 535 THR A 711