USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 253 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 -1 MET CE :methyl -154:sc= 0 (180deg=-0.532) USER MOD Single : A -2 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.3!) USER MOD Single : A -3 GLY N :NH3+ 138:sc= 1.3 (180deg=0.63) USER MOD Single : A 681 SER OG : rot -9:sc= 1.07 USER MOD Single : A 686 GLN : amide:sc= 1.25 K(o=1.3,f=-0.02) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 696 GLN : amide:sc= 1.11 K(o=1.1,f=-0.46) USER MOD Single : A 697 LYS NZ :NH3+ -149:sc= 0.431 (180deg=-1.04!) USER MOD Single : A 704 LYS NZ :NH3+ 170:sc= 1.15 (180deg=0.303!) USER MOD Single : A 706 THR OG1 : rot -74:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 2.289 2.173 5.519 1.00 0.00 N ATOM 2 CA GLY A -3 1.190 2.574 4.639 1.00 0.00 C ATOM 3 C GLY A -3 0.595 1.382 3.925 1.00 0.00 C ATOM 4 O GLY A -3 1.332 0.477 3.543 1.00 0.00 O ATOM 0 H1 GLY A -3 3.069 2.856 5.433 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.955 2.151 6.504 1.00 0.00 H new ATOM 0 H3 GLY A -3 2.625 1.227 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A -3 0.417 3.074 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.552 3.296 3.907 1.00 0.00 H new ATOM 10 N HIS A -2 -0.727 1.385 3.715 1.00 0.00 N ATOM 11 CA HIS A -2 -1.454 0.320 3.030 1.00 0.00 C ATOM 12 C HIS A -2 -2.622 0.969 2.295 1.00 0.00 C ATOM 13 O HIS A -2 -3.172 1.948 2.796 1.00 0.00 O ATOM 14 CB HIS A -2 -1.981 -0.717 4.034 1.00 0.00 C ATOM 15 CG HIS A -2 -0.906 -1.446 4.801 1.00 0.00 C ATOM 16 ND1 HIS A -2 -0.503 -1.175 6.087 1.00 0.00 N ATOM 17 CD2 HIS A -2 -0.149 -2.498 4.358 1.00 0.00 C ATOM 18 CE1 HIS A -2 0.463 -2.046 6.414 1.00 0.00 C ATOM 19 NE2 HIS A -2 0.712 -2.885 5.391 1.00 0.00 N ATOM 0 H HIS A -2 -1.330 2.147 4.025 1.00 0.00 H new ATOM 0 HA HIS A -2 -0.793 -0.200 2.337 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -2.639 -0.216 4.743 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -2.587 -1.448 3.498 1.00 0.00 H new ATOM 0 HD1 HIS A -2 -0.874 -0.439 6.688 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -0.207 -2.951 3.379 1.00 0.00 H new ATOM 0 HE1 HIS A -2 0.971 -2.071 7.367 1.00 0.00 H new ATOM 27 N MET A -1 -2.995 0.425 1.128 1.00 0.00 N ATOM 28 CA MET A -1 -3.945 0.996 0.151 1.00 0.00 C ATOM 29 C MET A -1 -3.726 2.494 -0.164 1.00 0.00 C ATOM 30 O MET A -1 -4.610 3.148 -0.712 1.00 0.00 O ATOM 31 CB MET A -1 -5.412 0.650 0.487 1.00 0.00 C ATOM 32 CG MET A -1 -5.962 1.358 1.732 1.00 0.00 C ATOM 33 SD MET A -1 -7.764 1.553 1.821 1.00 0.00 S ATOM 34 CE MET A -1 -7.997 2.816 0.538 1.00 0.00 C ATOM 0 H MET A -1 -2.624 -0.474 0.820 1.00 0.00 H new ATOM 0 HA MET A -1 -3.714 0.497 -0.790 1.00 0.00 H new ATOM 0 HB2 MET A -1 -6.038 0.906 -0.368 1.00 0.00 H new ATOM 0 HB3 MET A -1 -5.495 -0.427 0.631 1.00 0.00 H new ATOM 0 HG2 MET A -1 -5.635 0.805 2.612 1.00 0.00 H new ATOM 0 HG3 MET A -1 -5.508 2.347 1.791 1.00 0.00 H new ATOM 0 HE1 MET A -1 -8.903 3.384 0.747 1.00 0.00 H new ATOM 0 HE2 MET A -1 -7.140 3.490 0.531 1.00 0.00 H new ATOM 0 HE3 MET A -1 -8.088 2.334 -0.435 1.00 0.00 H new ATOM 44 N PHE A 679 -2.545 3.018 0.154 1.00 0.00 N ATOM 45 CA PHE A 679 -2.125 4.403 0.074 1.00 0.00 C ATOM 46 C PHE A 679 -0.602 4.363 -0.135 1.00 0.00 C ATOM 47 O PHE A 679 0.014 3.396 0.321 1.00 0.00 O ATOM 48 CB PHE A 679 -2.462 5.099 1.403 1.00 0.00 C ATOM 49 CG PHE A 679 -3.871 5.640 1.500 1.00 0.00 C ATOM 50 CD1 PHE A 679 -4.184 6.828 0.820 1.00 0.00 C ATOM 51 CD2 PHE A 679 -4.852 5.006 2.286 1.00 0.00 C ATOM 52 CE1 PHE A 679 -5.497 7.321 0.830 1.00 0.00 C ATOM 53 CE2 PHE A 679 -6.154 5.542 2.359 1.00 0.00 C ATOM 54 CZ PHE A 679 -6.486 6.673 1.593 1.00 0.00 C ATOM 0 H PHE A 679 -1.794 2.424 0.506 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.620 4.946 -0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.303 4.392 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.762 5.921 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -3.412 7.364 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -4.607 4.108 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -5.749 8.198 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -6.893 5.086 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 679 -7.500 7.045 1.590 1.00 0.00 H new ATOM 64 N PRO A 680 0.003 5.383 -0.783 1.00 0.00 N ATOM 65 CA PRO A 680 1.415 5.494 -1.137 1.00 0.00 C ATOM 66 C PRO A 680 2.410 4.498 -0.534 1.00 0.00 C ATOM 67 O PRO A 680 2.698 3.487 -1.177 1.00 0.00 O ATOM 68 CB PRO A 680 1.723 6.976 -0.927 1.00 0.00 C ATOM 69 CG PRO A 680 0.487 7.585 -1.596 1.00 0.00 C ATOM 70 CD PRO A 680 -0.646 6.599 -1.270 1.00 0.00 C ATOM 0 HA PRO A 680 1.569 5.170 -2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.804 7.242 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 680 2.653 7.283 -1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 680 0.273 8.580 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 680 0.627 7.688 -2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.317 7.011 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -1.249 6.392 -2.154 1.00 0.00 H new ATOM 78 N SER A 681 2.980 4.762 0.643 1.00 0.00 N ATOM 79 CA SER A 681 3.900 3.830 1.304 1.00 0.00 C ATOM 80 C SER A 681 4.008 4.140 2.794 1.00 0.00 C ATOM 81 O SER A 681 4.020 3.229 3.622 1.00 0.00 O ATOM 82 CB SER A 681 5.306 3.921 0.682 1.00 0.00 C ATOM 83 OG SER A 681 5.311 3.567 -0.688 1.00 0.00 O ATOM 0 H SER A 681 2.819 5.624 1.164 1.00 0.00 H new ATOM 0 HA SER A 681 3.501 2.825 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 681 5.685 4.937 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 681 5.985 3.265 1.227 1.00 0.00 H new ATOM 0 HG SER A 681 4.439 3.192 -0.932 1.00 0.00 H new ATOM 89 N ASP A 682 4.052 5.424 3.145 1.00 0.00 N ATOM 90 CA ASP A 682 4.077 5.922 4.512 1.00 0.00 C ATOM 91 C ASP A 682 2.670 5.849 5.103 1.00 0.00 C ATOM 92 O ASP A 682 2.437 5.060 6.020 1.00 0.00 O ATOM 93 CB ASP A 682 4.648 7.357 4.526 1.00 0.00 C ATOM 94 CG ASP A 682 3.798 8.357 3.729 1.00 0.00 C ATOM 95 OD1 ASP A 682 3.477 8.023 2.562 1.00 0.00 O ATOM 96 OD2 ASP A 682 3.364 9.364 4.322 1.00 0.00 O ATOM 0 H ASP A 682 4.072 6.174 2.454 1.00 0.00 H new ATOM 0 HA ASP A 682 4.727 5.306 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 682 4.727 7.699 5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.658 7.343 4.117 1.00 0.00 H new ATOM 101 N ILE A 683 1.719 6.589 4.533 1.00 0.00 N ATOM 102 CA ILE A 683 0.370 6.768 5.043 1.00 0.00 C ATOM 103 C ILE A 683 -0.366 5.438 5.097 1.00 0.00 C ATOM 104 O ILE A 683 -0.577 4.770 4.086 1.00 0.00 O ATOM 105 CB ILE A 683 -0.454 7.789 4.220 1.00 0.00 C ATOM 106 CG1 ILE A 683 -0.058 7.845 2.735 1.00 0.00 C ATOM 107 CG2 ILE A 683 -0.389 9.200 4.815 1.00 0.00 C ATOM 108 CD1 ILE A 683 -1.029 8.674 1.891 1.00 0.00 C ATOM 0 H ILE A 683 1.880 7.100 3.665 1.00 0.00 H new ATOM 0 HA ILE A 683 0.474 7.171 6.051 1.00 0.00 H new ATOM 0 HB ILE A 683 -1.479 7.422 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 683 0.943 8.266 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -0.013 6.831 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -0.982 9.880 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -0.786 9.185 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 683 0.647 9.539 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -0.698 8.677 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -2.027 8.239 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -1.055 9.697 2.266 1.00 0.00 H new ATOM 120 N ASP A 684 -0.722 5.040 6.309 1.00 0.00 N ATOM 121 CA ASP A 684 -1.639 3.935 6.555 1.00 0.00 C ATOM 122 C ASP A 684 -3.048 4.522 6.437 1.00 0.00 C ATOM 123 O ASP A 684 -3.203 5.740 6.577 1.00 0.00 O ATOM 124 CB ASP A 684 -1.351 3.271 7.912 1.00 0.00 C ATOM 125 CG ASP A 684 -0.751 1.888 7.665 1.00 0.00 C ATOM 126 OD1 ASP A 684 -1.537 0.930 7.515 1.00 0.00 O ATOM 127 OD2 ASP A 684 0.479 1.789 7.467 1.00 0.00 O ATOM 0 H ASP A 684 -0.378 5.481 7.162 1.00 0.00 H new ATOM 0 HA ASP A 684 -1.521 3.128 5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -0.662 3.883 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -2.269 3.186 8.493 1.00 0.00 H new ATOM 132 N PRO A 685 -4.091 3.717 6.169 1.00 0.00 N ATOM 133 CA PRO A 685 -5.410 4.230 5.832 1.00 0.00 C ATOM 134 C PRO A 685 -5.934 5.149 6.922 1.00 0.00 C ATOM 135 O PRO A 685 -6.478 6.206 6.622 1.00 0.00 O ATOM 136 CB PRO A 685 -6.327 3.013 5.659 1.00 0.00 C ATOM 137 CG PRO A 685 -5.365 1.836 5.519 1.00 0.00 C ATOM 138 CD PRO A 685 -4.147 2.280 6.319 1.00 0.00 C ATOM 0 HA PRO A 685 -5.370 4.822 4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -6.988 2.887 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -6.962 3.115 4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -5.794 0.917 5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -5.113 1.645 4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.242 1.998 7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -3.238 1.810 5.944 1.00 0.00 H new ATOM 146 N GLN A 686 -5.740 4.746 8.180 1.00 0.00 N ATOM 147 CA GLN A 686 -6.270 5.504 9.292 1.00 0.00 C ATOM 148 C GLN A 686 -5.616 6.887 9.342 1.00 0.00 C ATOM 149 O GLN A 686 -6.318 7.884 9.466 1.00 0.00 O ATOM 150 CB GLN A 686 -6.085 4.728 10.602 1.00 0.00 C ATOM 151 CG GLN A 686 -7.039 5.282 11.663 1.00 0.00 C ATOM 152 CD GLN A 686 -6.814 4.609 13.010 1.00 0.00 C ATOM 153 OE1 GLN A 686 -7.142 3.441 13.194 1.00 0.00 O ATOM 154 NE2 GLN A 686 -6.250 5.318 13.968 1.00 0.00 N ATOM 0 H GLN A 686 -5.224 3.906 8.442 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.341 5.652 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -6.281 3.668 10.440 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -5.054 4.813 10.945 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -6.892 6.358 11.762 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -8.070 5.129 11.345 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -5.984 6.288 13.796 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -6.079 4.897 14.881 1.00 0.00 H new ATOM 163 N VAL A 687 -4.295 6.938 9.150 1.00 0.00 N ATOM 164 CA VAL A 687 -3.516 8.167 9.207 1.00 0.00 C ATOM 165 C VAL A 687 -3.921 9.090 8.058 1.00 0.00 C ATOM 166 O VAL A 687 -4.002 10.305 8.240 1.00 0.00 O ATOM 167 CB VAL A 687 -2.006 7.840 9.194 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.155 9.078 9.507 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.640 6.744 10.218 1.00 0.00 C ATOM 0 H VAL A 687 -3.733 6.111 8.948 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.723 8.694 10.139 1.00 0.00 H new ATOM 0 HB VAL A 687 -1.792 7.485 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.099 8.808 9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.345 9.849 8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -1.415 9.458 10.495 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.569 6.547 10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -1.906 7.079 11.221 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.187 5.830 9.984 1.00 0.00 H new ATOM 179 N PHE A 688 -4.221 8.539 6.873 1.00 0.00 N ATOM 180 CA PHE A 688 -4.735 9.365 5.794 1.00 0.00 C ATOM 181 C PHE A 688 -6.098 9.958 6.153 1.00 0.00 C ATOM 182 O PHE A 688 -6.368 11.105 5.811 1.00 0.00 O ATOM 183 CB PHE A 688 -4.830 8.592 4.480 1.00 0.00 C ATOM 184 CG PHE A 688 -5.233 9.525 3.356 1.00 0.00 C ATOM 185 CD1 PHE A 688 -4.298 10.458 2.877 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.558 9.553 2.880 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.678 11.399 1.911 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.922 10.461 1.872 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.976 11.380 1.382 1.00 0.00 C ATOM 0 H PHE A 688 -4.117 7.549 6.649 1.00 0.00 H new ATOM 0 HA PHE A 688 -4.024 10.179 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.871 8.128 4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -5.559 7.787 4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -3.286 10.450 3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -7.294 8.877 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.969 12.141 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.926 10.454 1.474 1.00 0.00 H new ATOM 0 HZ PHE A 688 -6.250 12.071 0.598 1.00 0.00 H new ATOM 199 N TYR A 689 -6.965 9.213 6.837 1.00 0.00 N ATOM 200 CA TYR A 689 -8.291 9.708 7.187 1.00 0.00 C ATOM 201 C TYR A 689 -8.278 10.605 8.438 1.00 0.00 C ATOM 202 O TYR A 689 -9.251 11.322 8.669 1.00 0.00 O ATOM 203 CB TYR A 689 -9.260 8.526 7.304 1.00 0.00 C ATOM 204 CG TYR A 689 -9.674 7.912 5.974 1.00 0.00 C ATOM 205 CD1 TYR A 689 -10.326 8.705 5.013 1.00 0.00 C ATOM 206 CD2 TYR A 689 -9.432 6.553 5.696 1.00 0.00 C ATOM 207 CE1 TYR A 689 -10.693 8.167 3.769 1.00 0.00 C ATOM 208 CE2 TYR A 689 -9.795 6.001 4.452 1.00 0.00 C ATOM 209 CZ TYR A 689 -10.423 6.812 3.477 1.00 0.00 C ATOM 210 OH TYR A 689 -10.784 6.295 2.268 1.00 0.00 O ATOM 0 H TYR A 689 -6.771 8.265 7.159 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.643 10.359 6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -8.797 7.753 7.918 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.155 8.858 7.830 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -10.547 9.739 5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -8.964 5.929 6.443 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -11.182 8.790 3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -9.594 4.961 4.243 1.00 0.00 H new ATOM 0 HH TYR A 689 -10.526 5.350 2.226 1.00 0.00 H new ATOM 220 N GLU A 690 -7.193 10.605 9.219 1.00 0.00 N ATOM 221 CA GLU A 690 -6.944 11.550 10.313 1.00 0.00 C ATOM 222 C GLU A 690 -6.570 12.940 9.759 1.00 0.00 C ATOM 223 O GLU A 690 -6.637 13.941 10.480 1.00 0.00 O ATOM 224 CB GLU A 690 -5.835 10.988 11.231 1.00 0.00 C ATOM 225 CG GLU A 690 -6.340 9.850 12.144 1.00 0.00 C ATOM 226 CD GLU A 690 -5.243 8.933 12.723 1.00 0.00 C ATOM 227 OE1 GLU A 690 -4.034 9.171 12.494 1.00 0.00 O ATOM 228 OE2 GLU A 690 -5.625 7.929 13.374 1.00 0.00 O ATOM 0 H GLU A 690 -6.440 9.926 9.104 1.00 0.00 H new ATOM 0 HA GLU A 690 -7.854 11.673 10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -5.013 10.619 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -5.436 11.793 11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -6.896 10.290 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -7.042 9.237 11.578 1.00 0.00 H new ATOM 235 N LEU A 691 -6.201 13.026 8.472 1.00 0.00 N ATOM 236 CA LEU A 691 -6.003 14.298 7.793 1.00 0.00 C ATOM 237 C LEU A 691 -7.351 15.017 7.667 1.00 0.00 C ATOM 238 O LEU A 691 -8.376 14.355 7.510 1.00 0.00 O ATOM 239 CB LEU A 691 -5.418 14.087 6.387 1.00 0.00 C ATOM 240 CG LEU A 691 -4.043 13.388 6.337 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.574 13.298 4.884 1.00 0.00 C ATOM 242 CD2 LEU A 691 -2.968 14.117 7.157 1.00 0.00 C ATOM 0 H LEU A 691 -6.034 12.212 7.881 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.303 14.896 8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.126 13.500 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.330 15.058 5.900 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.175 12.398 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.603 12.805 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.296 12.724 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.488 14.301 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.024 13.577 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -2.839 15.128 6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.277 14.164 8.201 1.00 0.00 H new ATOM 254 N PRO A 692 -7.383 16.363 7.640 1.00 0.00 N ATOM 255 CA PRO A 692 -8.605 17.108 7.379 1.00 0.00 C ATOM 256 C PRO A 692 -9.231 16.656 6.060 1.00 0.00 C ATOM 257 O PRO A 692 -8.521 16.445 5.077 1.00 0.00 O ATOM 258 CB PRO A 692 -8.199 18.586 7.325 1.00 0.00 C ATOM 259 CG PRO A 692 -6.849 18.630 8.039 1.00 0.00 C ATOM 260 CD PRO A 692 -6.251 17.262 7.730 1.00 0.00 C ATOM 0 HA PRO A 692 -9.354 16.940 8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -8.118 18.939 6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -8.934 19.219 7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.221 19.439 7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -6.965 18.787 9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -5.688 17.280 6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.561 16.948 8.513 1.00 0.00 H new ATOM 268 N GLU A 693 -10.558 16.589 6.003 1.00 0.00 N ATOM 269 CA GLU A 693 -11.305 16.135 4.828 1.00 0.00 C ATOM 270 C GLU A 693 -10.918 16.910 3.560 1.00 0.00 C ATOM 271 O GLU A 693 -10.747 16.320 2.489 1.00 0.00 O ATOM 272 CB GLU A 693 -12.797 16.198 5.198 1.00 0.00 C ATOM 273 CG GLU A 693 -13.761 15.591 4.169 1.00 0.00 C ATOM 274 CD GLU A 693 -14.451 16.635 3.288 1.00 0.00 C ATOM 275 OE1 GLU A 693 -13.810 17.626 2.865 1.00 0.00 O ATOM 276 OE2 GLU A 693 -15.625 16.425 2.900 1.00 0.00 O ATOM 0 H GLU A 693 -11.158 16.853 6.785 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.055 15.107 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -12.939 15.685 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -13.071 17.241 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -13.211 14.897 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -14.520 15.010 4.693 1.00 0.00 H new ATOM 283 N ALA A 694 -10.627 18.206 3.695 1.00 0.00 N ATOM 284 CA ALA A 694 -10.181 19.013 2.572 1.00 0.00 C ATOM 285 C ALA A 694 -8.753 18.703 2.124 1.00 0.00 C ATOM 286 O ALA A 694 -8.451 18.851 0.940 1.00 0.00 O ATOM 287 CB ALA A 694 -10.347 20.500 2.894 1.00 0.00 C ATOM 0 H ALA A 694 -10.695 18.714 4.577 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.817 18.752 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -10.010 21.096 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -11.397 20.714 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.753 20.751 3.773 1.00 0.00 H new ATOM 293 N VAL A 695 -7.881 18.246 3.027 1.00 0.00 N ATOM 294 CA VAL A 695 -6.562 17.776 2.633 1.00 0.00 C ATOM 295 C VAL A 695 -6.710 16.454 1.884 1.00 0.00 C ATOM 296 O VAL A 695 -5.991 16.235 0.912 1.00 0.00 O ATOM 297 CB VAL A 695 -5.624 17.638 3.851 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.293 16.940 3.514 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.325 19.024 4.445 1.00 0.00 C ATOM 0 H VAL A 695 -8.068 18.194 4.028 1.00 0.00 H new ATOM 0 HA VAL A 695 -6.102 18.510 1.972 1.00 0.00 H new ATOM 0 HB VAL A 695 -6.148 17.013 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.679 16.874 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.493 15.937 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.763 17.514 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.663 18.917 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.844 19.647 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.257 19.493 4.762 1.00 0.00 H new ATOM 309 N GLN A 696 -7.643 15.593 2.306 1.00 0.00 N ATOM 310 CA GLN A 696 -7.803 14.280 1.702 1.00 0.00 C ATOM 311 C GLN A 696 -8.180 14.479 0.241 1.00 0.00 C ATOM 312 O GLN A 696 -7.537 13.955 -0.665 1.00 0.00 O ATOM 313 CB GLN A 696 -8.886 13.459 2.415 1.00 0.00 C ATOM 314 CG GLN A 696 -8.564 13.102 3.873 1.00 0.00 C ATOM 315 CD GLN A 696 -9.787 12.497 4.564 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.636 11.879 3.930 1.00 0.00 O ATOM 317 NE2 GLN A 696 -9.944 12.707 5.859 1.00 0.00 N ATOM 0 H GLN A 696 -8.296 15.789 3.065 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.868 13.727 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.822 14.018 2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -9.050 12.537 1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.735 12.395 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.242 13.995 4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.235 13.221 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -10.774 12.355 6.336 1.00 0.00 H new ATOM 326 N LYS A 697 -9.193 15.320 0.038 1.00 0.00 N ATOM 327 CA LYS A 697 -9.630 15.791 -1.263 1.00 0.00 C ATOM 328 C LYS A 697 -8.489 16.311 -2.133 1.00 0.00 C ATOM 329 O LYS A 697 -8.418 15.931 -3.303 1.00 0.00 O ATOM 330 CB LYS A 697 -10.678 16.850 -1.029 1.00 0.00 C ATOM 331 CG LYS A 697 -11.997 16.120 -0.746 1.00 0.00 C ATOM 332 CD LYS A 697 -13.021 17.200 -0.532 1.00 0.00 C ATOM 333 CE LYS A 697 -14.372 16.600 -0.147 1.00 0.00 C ATOM 334 NZ LYS A 697 -15.209 17.582 0.564 1.00 0.00 N ATOM 0 H LYS A 697 -9.747 15.702 0.805 1.00 0.00 H new ATOM 0 HA LYS A 697 -10.043 14.953 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.402 17.487 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.774 17.497 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.275 15.476 -1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -11.911 15.482 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -12.683 17.878 0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -13.127 17.792 -1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -14.890 16.259 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -14.217 15.725 0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -15.824 17.088 1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -14.600 18.252 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -15.795 18.100 -0.122 1.00 0.00 H new ATOM 348 N GLU A 698 -7.619 17.169 -1.597 1.00 0.00 N ATOM 349 CA GLU A 698 -6.513 17.713 -2.386 1.00 0.00 C ATOM 350 C GLU A 698 -5.548 16.594 -2.797 1.00 0.00 C ATOM 351 O GLU A 698 -5.153 16.513 -3.950 1.00 0.00 O ATOM 352 CB GLU A 698 -5.802 18.842 -1.614 1.00 0.00 C ATOM 353 CG GLU A 698 -5.614 20.095 -2.483 1.00 0.00 C ATOM 354 CD GLU A 698 -4.835 19.817 -3.772 1.00 0.00 C ATOM 355 OE1 GLU A 698 -3.608 19.609 -3.702 1.00 0.00 O ATOM 356 OE2 GLU A 698 -5.453 19.794 -4.860 1.00 0.00 O ATOM 0 H GLU A 698 -7.657 17.499 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.910 18.151 -3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.382 19.098 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -4.830 18.490 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -6.592 20.505 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -5.090 20.856 -1.905 1.00 0.00 H new ATOM 363 N LEU A 699 -5.240 15.661 -1.895 1.00 0.00 N ATOM 364 CA LEU A 699 -4.416 14.492 -2.190 1.00 0.00 C ATOM 365 C LEU A 699 -5.067 13.582 -3.235 1.00 0.00 C ATOM 366 O LEU A 699 -4.345 13.011 -4.048 1.00 0.00 O ATOM 367 CB LEU A 699 -4.125 13.747 -0.879 1.00 0.00 C ATOM 368 CG LEU A 699 -2.902 14.244 -0.082 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.637 13.484 -0.501 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.640 15.755 -0.117 1.00 0.00 C ATOM 0 H LEU A 699 -5.561 15.698 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.474 14.820 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -5.005 13.818 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.981 12.691 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 699 -3.160 14.030 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.786 13.850 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.772 12.419 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.453 13.642 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.756 15.985 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.477 16.072 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.501 16.283 0.293 1.00 0.00 H new ATOM 382 N LEU A 700 -6.402 13.481 -3.289 1.00 0.00 N ATOM 383 CA LEU A 700 -7.076 12.770 -4.375 1.00 0.00 C ATOM 384 C LEU A 700 -6.799 13.469 -5.704 1.00 0.00 C ATOM 385 O LEU A 700 -6.583 12.790 -6.708 1.00 0.00 O ATOM 386 CB LEU A 700 -8.604 12.664 -4.186 1.00 0.00 C ATOM 387 CG LEU A 700 -9.108 11.890 -2.957 1.00 0.00 C ATOM 388 CD1 LEU A 700 -10.637 11.782 -3.014 1.00 0.00 C ATOM 389 CD2 LEU A 700 -8.509 10.482 -2.851 1.00 0.00 C ATOM 0 H LEU A 700 -7.032 13.882 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 700 -6.673 11.757 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -9.009 13.675 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -9.023 12.194 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 700 -8.788 12.447 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -10.996 11.233 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -11.072 12.781 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.931 11.255 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -8.902 9.985 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.775 9.906 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -7.424 10.553 -2.776 1.00 0.00 H new ATOM 401 N ALA A 701 -6.805 14.806 -5.725 1.00 0.00 N ATOM 402 CA ALA A 701 -6.485 15.580 -6.914 1.00 0.00 C ATOM 403 C ALA A 701 -4.993 15.496 -7.246 1.00 0.00 C ATOM 404 O ALA A 701 -4.661 15.476 -8.428 1.00 0.00 O ATOM 405 CB ALA A 701 -6.924 17.038 -6.738 1.00 0.00 C ATOM 0 H ALA A 701 -7.034 15.377 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.034 15.153 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -6.677 17.603 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.000 17.076 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.407 17.473 -5.882 1.00 0.00 H new ATOM 411 N GLU A 702 -4.104 15.418 -6.248 1.00 0.00 N ATOM 412 CA GLU A 702 -2.668 15.256 -6.436 1.00 0.00 C ATOM 413 C GLU A 702 -2.388 13.914 -7.089 1.00 0.00 C ATOM 414 O GLU A 702 -1.743 13.836 -8.134 1.00 0.00 O ATOM 415 CB GLU A 702 -1.903 15.387 -5.105 1.00 0.00 C ATOM 416 CG GLU A 702 -0.374 15.359 -5.292 1.00 0.00 C ATOM 417 CD GLU A 702 0.126 16.559 -6.104 1.00 0.00 C ATOM 418 OE1 GLU A 702 0.102 16.511 -7.353 1.00 0.00 O ATOM 419 OE2 GLU A 702 0.430 17.602 -5.487 1.00 0.00 O ATOM 0 H GLU A 702 -4.376 15.468 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.315 16.054 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.188 16.319 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -2.198 14.576 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 702 0.111 15.354 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 702 -0.087 14.436 -5.795 1.00 0.00 H new ATOM 426 N TRP A 703 -2.930 12.838 -6.523 1.00 0.00 N ATOM 427 CA TRP A 703 -2.801 11.523 -7.117 1.00 0.00 C ATOM 428 C TRP A 703 -3.425 11.549 -8.511 1.00 0.00 C ATOM 429 O TRP A 703 -2.747 11.185 -9.463 1.00 0.00 O ATOM 430 CB TRP A 703 -3.350 10.468 -6.148 1.00 0.00 C ATOM 431 CG TRP A 703 -2.595 10.365 -4.859 1.00 0.00 C ATOM 432 CD1 TRP A 703 -1.256 10.483 -4.697 1.00 0.00 C ATOM 433 CD2 TRP A 703 -3.140 10.170 -3.522 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.940 10.392 -3.360 1.00 0.00 N ATOM 435 CE2 TRP A 703 -2.063 10.186 -2.591 1.00 0.00 C ATOM 436 CE3 TRP A 703 -4.443 10.019 -3.006 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -2.267 10.026 -1.219 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -4.664 9.886 -1.625 1.00 0.00 C ATOM 439 CH2 TRP A 703 -3.573 9.857 -0.738 1.00 0.00 C ATOM 0 H TRP A 703 -3.462 12.858 -5.653 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.762 11.235 -7.274 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -4.392 10.701 -5.928 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -3.338 9.496 -6.642 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.543 10.627 -5.496 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.006 10.468 -2.987 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -5.285 10.005 -3.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -1.430 10.032 -0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -5.672 9.806 -1.245 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -3.742 9.704 0.318 1.00 0.00 H new ATOM 450 N LYS A 704 -4.625 12.111 -8.705 1.00 0.00 N ATOM 451 CA LYS A 704 -5.221 12.170 -10.041 1.00 0.00 C ATOM 452 C LYS A 704 -4.493 13.127 -11.004 1.00 0.00 C ATOM 453 O LYS A 704 -4.774 13.048 -12.203 1.00 0.00 O ATOM 454 CB LYS A 704 -6.733 12.449 -9.942 1.00 0.00 C ATOM 455 CG LYS A 704 -7.558 12.068 -11.190 1.00 0.00 C ATOM 456 CD LYS A 704 -7.536 10.563 -11.533 1.00 0.00 C ATOM 457 CE LYS A 704 -6.977 10.232 -12.929 1.00 0.00 C ATOM 458 NZ LYS A 704 -5.541 10.538 -13.048 1.00 0.00 N ATOM 0 H LYS A 704 -5.193 12.525 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 704 -5.090 11.187 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -7.130 11.906 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -6.877 13.511 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.592 12.378 -11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -7.181 12.629 -12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -6.940 10.042 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -8.551 10.172 -11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -7.139 9.175 -13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -7.529 10.796 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -5.175 10.145 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -5.404 11.569 -13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -5.029 10.116 -12.247 1.00 0.00 H new ATOM 472 N ARG A 705 -3.565 13.986 -10.565 1.00 0.00 N ATOM 473 CA ARG A 705 -2.741 14.807 -11.463 1.00 0.00 C ATOM 474 C ARG A 705 -1.319 14.266 -11.581 1.00 0.00 C ATOM 475 O ARG A 705 -0.520 14.885 -12.281 1.00 0.00 O ATOM 476 CB ARG A 705 -2.805 16.307 -11.101 1.00 0.00 C ATOM 477 CG ARG A 705 -1.990 16.733 -9.871 1.00 0.00 C ATOM 478 CD ARG A 705 -2.491 18.067 -9.291 1.00 0.00 C ATOM 479 NE ARG A 705 -1.908 18.344 -7.964 1.00 0.00 N ATOM 480 CZ ARG A 705 -2.549 18.831 -6.889 1.00 0.00 C ATOM 481 NH1 ARG A 705 -3.829 19.180 -6.961 1.00 0.00 N ATOM 482 NH2 ARG A 705 -1.919 18.966 -5.735 1.00 0.00 N ATOM 0 H ARG A 705 -3.363 14.132 -9.576 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.170 14.731 -12.462 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -2.460 16.884 -11.959 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -3.848 16.577 -10.934 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -2.052 15.958 -9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -0.939 16.827 -10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -2.239 18.878 -9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -3.578 18.043 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 705 -0.914 18.145 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -4.336 19.079 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -4.304 19.549 -6.137 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -0.938 18.699 -5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -2.414 19.337 -4.924 1.00 0.00 H new ATOM 496 N THR A 706 -1.017 13.112 -10.978 1.00 0.00 N ATOM 497 CA THR A 706 0.277 12.446 -11.110 1.00 0.00 C ATOM 498 C THR A 706 0.137 10.996 -11.612 1.00 0.00 C ATOM 499 O THR A 706 1.112 10.433 -12.115 1.00 0.00 O ATOM 500 CB THR A 706 1.054 12.572 -9.785 1.00 0.00 C ATOM 501 OG1 THR A 706 0.283 12.165 -8.675 1.00 0.00 O ATOM 502 CG2 THR A 706 1.493 14.021 -9.538 1.00 0.00 C ATOM 0 H THR A 706 -1.673 12.611 -10.379 1.00 0.00 H new ATOM 0 HA THR A 706 0.861 12.945 -11.883 1.00 0.00 H new ATOM 0 HB THR A 706 1.922 11.920 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.389 12.850 -8.475 1.00 0.00 H new ATOM 0 HG21 THR A 706 2.039 14.080 -8.596 1.00 0.00 H new ATOM 0 HG22 THR A 706 2.138 14.350 -10.353 1.00 0.00 H new ATOM 0 HG23 THR A 706 0.614 14.664 -9.489 1.00 0.00 H new ATOM 510 N GLY A 707 -1.070 10.422 -11.573 1.00 0.00 N ATOM 511 CA GLY A 707 -1.421 9.152 -12.180 1.00 0.00 C ATOM 512 C GLY A 707 -2.900 9.206 -12.488 1.00 0.00 C ATOM 513 O GLY A 707 -3.264 9.346 -13.674 1.00 0.00 O ATOM 514 OXT GLY A 707 -3.721 9.234 -11.546 1.00 0.00 O ATOM 0 H GLY A 707 -1.858 10.857 -11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -0.843 8.986 -13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -1.197 8.326 -11.505 1.00 0.00 H new TER 518 GLY A 707