USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=7 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 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HE2:sc= -0.457 K(o=-0.46,f=-1.6) USER MOD Single : A -3 GLY N :NH3+ 156:sc= 1.48 (180deg=-0.404!) USER MOD Single : A 681 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 686 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0084) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 696 GLN : amide:sc= 0.989 K(o=0.99,f=-0.26) USER MOD Single : A 697 LYS NZ :NH3+ -152:sc= 0.421 (180deg=-0.932!) USER MOD Single : A 704 LYS NZ :NH3+ -158:sc= -0.444! (180deg=-1.57!) USER MOD Single : A 706 THR OG1 : rot -75:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 0.972 2.350 3.088 1.00 0.00 N ATOM 2 CA GLY A -3 1.761 1.177 3.450 1.00 0.00 C ATOM 3 C GLY A -3 1.046 -0.053 2.940 1.00 0.00 C ATOM 4 O GLY A -3 1.438 -0.584 1.904 1.00 0.00 O ATOM 0 H1 GLY A -3 1.192 3.131 3.739 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.201 2.635 2.114 1.00 0.00 H new ATOM 0 H3 GLY A -3 -0.040 2.121 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A -3 2.759 1.243 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.886 1.122 4.531 1.00 0.00 H new ATOM 10 N HIS A -2 0.014 -0.506 3.648 1.00 0.00 N ATOM 11 CA HIS A -2 -0.781 -1.673 3.291 1.00 0.00 C ATOM 12 C HIS A -2 -1.952 -1.338 2.354 1.00 0.00 C ATOM 13 O HIS A -2 -2.548 -2.267 1.811 1.00 0.00 O ATOM 14 CB HIS A -2 -1.281 -2.364 4.572 1.00 0.00 C ATOM 15 CG HIS A -2 -2.459 -1.691 5.237 1.00 0.00 C ATOM 16 ND1 HIS A -2 -3.774 -1.834 4.859 1.00 0.00 N ATOM 17 CD2 HIS A -2 -2.440 -0.848 6.314 1.00 0.00 C ATOM 18 CE1 HIS A -2 -4.526 -1.090 5.684 1.00 0.00 C ATOM 19 NE2 HIS A -2 -3.757 -0.458 6.588 1.00 0.00 N ATOM 0 H HIS A -2 -0.299 -0.057 4.509 1.00 0.00 H new ATOM 0 HA HIS A -2 -0.136 -2.353 2.734 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -1.556 -3.391 4.330 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -0.459 -2.414 5.286 1.00 0.00 H new ATOM 0 HD1 HIS A -2 -4.117 -2.405 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -1.561 -0.537 6.859 1.00 0.00 H new ATOM 0 HE1 HIS A -2 -5.602 -1.010 5.630 1.00 0.00 H new ATOM 27 N MET A -1 -2.346 -0.066 2.195 1.00 0.00 N ATOM 28 CA MET A -1 -3.499 0.289 1.359 1.00 0.00 C ATOM 29 C MET A -1 -3.382 1.664 0.698 1.00 0.00 C ATOM 30 O MET A -1 -3.862 1.824 -0.423 1.00 0.00 O ATOM 31 CB MET A -1 -4.775 0.189 2.209 1.00 0.00 C ATOM 32 CG MET A -1 -6.057 0.539 1.446 1.00 0.00 C ATOM 33 SD MET A -1 -7.578 0.297 2.408 1.00 0.00 S ATOM 34 CE MET A -1 -8.788 0.839 1.174 1.00 0.00 C ATOM 0 H MET A -1 -1.884 0.731 2.633 1.00 0.00 H new ATOM 0 HA MET A -1 -3.537 -0.420 0.532 1.00 0.00 H new ATOM 0 HB2 MET A -1 -4.861 -0.825 2.599 1.00 0.00 H new ATOM 0 HB3 MET A -1 -4.681 0.854 3.067 1.00 0.00 H new ATOM 0 HG2 MET A -1 -6.004 1.579 1.125 1.00 0.00 H new ATOM 0 HG3 MET A -1 -6.109 -0.071 0.544 1.00 0.00 H new ATOM 0 HE1 MET A -1 -9.792 0.760 1.590 1.00 0.00 H new ATOM 0 HE2 MET A -1 -8.589 1.875 0.900 1.00 0.00 H new ATOM 0 HE3 MET A -1 -8.711 0.209 0.288 1.00 0.00 H new ATOM 44 N PHE A 679 -2.755 2.637 1.358 1.00 0.00 N ATOM 45 CA PHE A 679 -2.408 3.927 0.749 1.00 0.00 C ATOM 46 C PHE A 679 -0.917 3.910 0.355 1.00 0.00 C ATOM 47 O PHE A 679 -0.239 2.915 0.649 1.00 0.00 O ATOM 48 CB PHE A 679 -2.724 5.048 1.756 1.00 0.00 C ATOM 49 CG PHE A 679 -4.149 5.567 1.738 1.00 0.00 C ATOM 50 CD1 PHE A 679 -5.162 4.939 2.490 1.00 0.00 C ATOM 51 CD2 PHE A 679 -4.450 6.728 1.001 1.00 0.00 C ATOM 52 CE1 PHE A 679 -6.470 5.466 2.498 1.00 0.00 C ATOM 53 CE2 PHE A 679 -5.767 7.207 0.951 1.00 0.00 C ATOM 54 CZ PHE A 679 -6.778 6.575 1.695 1.00 0.00 C ATOM 0 H PHE A 679 -2.471 2.555 2.334 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.991 4.106 -0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.503 4.683 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -2.050 5.883 1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -4.936 4.051 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -3.666 7.250 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -7.231 5.018 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -6.005 8.064 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 679 -7.792 6.943 1.649 1.00 0.00 H new ATOM 64 N PRO A 680 -0.387 4.965 -0.306 1.00 0.00 N ATOM 65 CA PRO A 680 1.049 5.150 -0.523 1.00 0.00 C ATOM 66 C PRO A 680 1.932 4.838 0.695 1.00 0.00 C ATOM 67 O PRO A 680 1.468 4.795 1.832 1.00 0.00 O ATOM 68 CB PRO A 680 1.202 6.614 -0.929 1.00 0.00 C ATOM 69 CG PRO A 680 -0.086 6.924 -1.678 1.00 0.00 C ATOM 70 CD PRO A 680 -1.125 5.987 -1.061 1.00 0.00 C ATOM 0 HA PRO A 680 1.392 4.444 -1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.323 7.259 -0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 680 2.077 6.764 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -0.373 7.969 -1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 680 0.024 6.745 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.800 6.538 -0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -1.738 5.527 -1.836 1.00 0.00 H new ATOM 78 N SER A 681 3.226 4.615 0.469 1.00 0.00 N ATOM 79 CA SER A 681 4.160 4.103 1.468 1.00 0.00 C ATOM 80 C SER A 681 4.238 4.918 2.768 1.00 0.00 C ATOM 81 O SER A 681 4.559 4.348 3.807 1.00 0.00 O ATOM 82 CB SER A 681 5.547 4.006 0.825 1.00 0.00 C ATOM 83 OG SER A 681 5.460 3.414 -0.468 1.00 0.00 O ATOM 0 H SER A 681 3.663 4.790 -0.436 1.00 0.00 H new ATOM 0 HA SER A 681 3.782 3.128 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 681 5.988 5.000 0.747 1.00 0.00 H new ATOM 0 HB3 SER A 681 6.207 3.413 1.459 1.00 0.00 H new ATOM 0 HG SER A 681 6.355 3.361 -0.865 1.00 0.00 H new ATOM 89 N ASP A 682 3.952 6.218 2.718 1.00 0.00 N ATOM 90 CA ASP A 682 4.106 7.188 3.803 1.00 0.00 C ATOM 91 C ASP A 682 2.850 7.340 4.671 1.00 0.00 C ATOM 92 O ASP A 682 2.906 7.978 5.720 1.00 0.00 O ATOM 93 CB ASP A 682 4.473 8.552 3.193 1.00 0.00 C ATOM 94 CG ASP A 682 3.358 9.109 2.295 1.00 0.00 C ATOM 95 OD1 ASP A 682 3.082 8.439 1.270 1.00 0.00 O ATOM 96 OD2 ASP A 682 2.806 10.179 2.620 1.00 0.00 O ATOM 0 H ASP A 682 3.585 6.649 1.869 1.00 0.00 H new ATOM 0 HA ASP A 682 4.893 6.817 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 682 4.680 9.262 3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.389 8.452 2.611 1.00 0.00 H new ATOM 101 N ILE A 683 1.726 6.732 4.289 1.00 0.00 N ATOM 102 CA ILE A 683 0.423 6.871 4.929 1.00 0.00 C ATOM 103 C ILE A 683 -0.254 5.499 4.959 1.00 0.00 C ATOM 104 O ILE A 683 0.210 4.547 4.343 1.00 0.00 O ATOM 105 CB ILE A 683 -0.461 7.869 4.132 1.00 0.00 C ATOM 106 CG1 ILE A 683 -0.220 7.803 2.611 1.00 0.00 C ATOM 107 CG2 ILE A 683 -0.337 9.317 4.617 1.00 0.00 C ATOM 108 CD1 ILE A 683 -1.260 8.576 1.807 1.00 0.00 C ATOM 0 H ILE A 683 1.701 6.101 3.488 1.00 0.00 H new ATOM 0 HA ILE A 683 0.551 7.251 5.943 1.00 0.00 H new ATOM 0 HB ILE A 683 -1.481 7.540 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 683 0.771 8.199 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -0.225 6.760 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -0.981 9.959 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -0.639 9.378 5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 683 0.697 9.647 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -1.035 8.491 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -2.250 8.165 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -1.239 9.626 2.099 1.00 0.00 H new ATOM 120 N ASP A 684 -1.366 5.374 5.678 1.00 0.00 N ATOM 121 CA ASP A 684 -2.252 4.212 5.623 1.00 0.00 C ATOM 122 C ASP A 684 -3.651 4.699 5.972 1.00 0.00 C ATOM 123 O ASP A 684 -3.769 5.868 6.334 1.00 0.00 O ATOM 124 CB ASP A 684 -1.701 3.002 6.395 1.00 0.00 C ATOM 125 CG ASP A 684 -1.131 1.966 5.412 1.00 0.00 C ATOM 126 OD1 ASP A 684 -1.613 1.821 4.257 1.00 0.00 O ATOM 127 OD2 ASP A 684 -0.114 1.323 5.735 1.00 0.00 O ATOM 0 H ASP A 684 -1.684 6.092 6.329 1.00 0.00 H new ATOM 0 HA ASP A 684 -2.311 3.785 4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -0.923 3.325 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -2.493 2.551 6.993 1.00 0.00 H new ATOM 132 N PRO A 685 -4.733 3.913 5.819 1.00 0.00 N ATOM 133 CA PRO A 685 -6.084 4.435 5.914 1.00 0.00 C ATOM 134 C PRO A 685 -6.343 5.170 7.202 1.00 0.00 C ATOM 135 O PRO A 685 -7.035 6.179 7.169 1.00 0.00 O ATOM 136 CB PRO A 685 -7.043 3.249 5.769 1.00 0.00 C ATOM 137 CG PRO A 685 -6.169 2.166 5.151 1.00 0.00 C ATOM 138 CD PRO A 685 -4.801 2.473 5.752 1.00 0.00 C ATOM 0 HA PRO A 685 -6.235 5.169 5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -7.447 2.939 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -7.892 3.494 5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -6.514 1.166 5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -6.158 2.224 4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.696 2.027 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -3.999 2.069 5.134 1.00 0.00 H new ATOM 146 N GLN A 686 -5.774 4.683 8.308 1.00 0.00 N ATOM 147 CA GLN A 686 -5.977 5.368 9.565 1.00 0.00 C ATOM 148 C GLN A 686 -5.395 6.783 9.439 1.00 0.00 C ATOM 149 O GLN A 686 -6.123 7.770 9.516 1.00 0.00 O ATOM 150 CB GLN A 686 -5.375 4.577 10.734 1.00 0.00 C ATOM 151 CG GLN A 686 -6.076 4.951 12.047 1.00 0.00 C ATOM 152 CD GLN A 686 -5.204 4.622 13.252 1.00 0.00 C ATOM 153 OE1 GLN A 686 -5.245 3.513 13.777 1.00 0.00 O ATOM 154 NE2 GLN A 686 -4.371 5.553 13.677 1.00 0.00 N ATOM 0 H GLN A 686 -5.191 3.847 8.351 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.041 5.447 9.786 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -5.479 3.508 10.550 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -4.308 4.785 10.811 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -6.312 6.015 12.046 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -7.022 4.415 12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -4.355 6.467 13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -3.744 5.358 14.457 1.00 0.00 H new ATOM 163 N VAL A 687 -4.110 6.846 9.076 1.00 0.00 N ATOM 164 CA VAL A 687 -3.315 8.066 9.038 1.00 0.00 C ATOM 165 C VAL A 687 -3.892 9.031 8.006 1.00 0.00 C ATOM 166 O VAL A 687 -3.890 10.239 8.223 1.00 0.00 O ATOM 167 CB VAL A 687 -1.844 7.708 8.726 1.00 0.00 C ATOM 168 CG1 VAL A 687 -0.904 8.914 8.863 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.299 6.586 9.630 1.00 0.00 C ATOM 0 H VAL A 687 -3.583 6.020 8.793 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.347 8.563 10.008 1.00 0.00 H new ATOM 0 HB VAL A 687 -1.861 7.367 7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 687 0.117 8.608 8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.213 9.697 8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -0.947 9.295 9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.262 6.377 9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -1.351 6.901 10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -1.897 5.685 9.493 1.00 0.00 H new ATOM 179 N PHE A 688 -4.399 8.518 6.882 1.00 0.00 N ATOM 180 CA PHE A 688 -4.950 9.339 5.826 1.00 0.00 C ATOM 181 C PHE A 688 -6.303 9.914 6.221 1.00 0.00 C ATOM 182 O PHE A 688 -6.611 11.049 5.867 1.00 0.00 O ATOM 183 CB PHE A 688 -5.092 8.533 4.535 1.00 0.00 C ATOM 184 CG PHE A 688 -5.420 9.449 3.378 1.00 0.00 C ATOM 185 CD1 PHE A 688 -4.411 10.290 2.887 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.725 9.538 2.857 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.698 11.212 1.871 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.995 10.420 1.795 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.978 11.253 1.302 1.00 0.00 C ATOM 0 H PHE A 688 -4.434 7.517 6.688 1.00 0.00 H new ATOM 0 HA PHE A 688 -4.258 10.165 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -4.166 7.995 4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -5.877 7.785 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -3.412 10.227 3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -7.516 8.931 3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.932 11.891 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.983 10.456 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 688 -6.183 11.927 0.483 1.00 0.00 H new ATOM 199 N TYR A 689 -7.132 9.151 6.930 1.00 0.00 N ATOM 200 CA TYR A 689 -8.432 9.647 7.349 1.00 0.00 C ATOM 201 C TYR A 689 -8.308 10.514 8.611 1.00 0.00 C ATOM 202 O TYR A 689 -9.226 11.280 8.902 1.00 0.00 O ATOM 203 CB TYR A 689 -9.410 8.481 7.486 1.00 0.00 C ATOM 204 CG TYR A 689 -9.759 7.732 6.202 1.00 0.00 C ATOM 205 CD1 TYR A 689 -10.039 8.422 5.004 1.00 0.00 C ATOM 206 CD2 TYR A 689 -9.832 6.325 6.211 1.00 0.00 C ATOM 207 CE1 TYR A 689 -10.342 7.718 3.826 1.00 0.00 C ATOM 208 CE2 TYR A 689 -10.130 5.609 5.038 1.00 0.00 C ATOM 209 CZ TYR A 689 -10.378 6.307 3.834 1.00 0.00 C ATOM 210 OH TYR A 689 -10.660 5.630 2.686 1.00 0.00 O ATOM 0 H TYR A 689 -6.926 8.196 7.222 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.843 10.308 6.586 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -8.992 7.767 8.195 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.334 8.860 7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -10.020 9.502 4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -9.657 5.789 7.132 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -10.548 8.257 2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -10.169 4.530 5.057 1.00 0.00 H new ATOM 0 HH TYR A 689 -10.644 4.666 2.862 1.00 0.00 H new ATOM 220 N GLU A 690 -7.185 10.445 9.333 1.00 0.00 N ATOM 221 CA GLU A 690 -6.840 11.370 10.414 1.00 0.00 C ATOM 222 C GLU A 690 -6.431 12.746 9.847 1.00 0.00 C ATOM 223 O GLU A 690 -6.362 13.729 10.590 1.00 0.00 O ATOM 224 CB GLU A 690 -5.718 10.757 11.280 1.00 0.00 C ATOM 225 CG GLU A 690 -6.225 9.628 12.191 1.00 0.00 C ATOM 226 CD GLU A 690 -5.082 8.812 12.814 1.00 0.00 C ATOM 227 OE1 GLU A 690 -4.575 7.865 12.162 1.00 0.00 O ATOM 228 OE2 GLU A 690 -4.734 9.073 13.986 1.00 0.00 O ATOM 0 H GLU A 690 -6.476 9.728 9.178 1.00 0.00 H new ATOM 0 HA GLU A 690 -7.715 11.529 11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -4.933 10.370 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -5.268 11.539 11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -6.837 10.055 12.986 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -6.869 8.963 11.615 1.00 0.00 H new ATOM 235 N LEU A 691 -6.174 12.849 8.535 1.00 0.00 N ATOM 236 CA LEU A 691 -5.938 14.126 7.867 1.00 0.00 C ATOM 237 C LEU A 691 -7.269 14.876 7.733 1.00 0.00 C ATOM 238 O LEU A 691 -8.312 14.237 7.586 1.00 0.00 O ATOM 239 CB LEU A 691 -5.373 13.920 6.454 1.00 0.00 C ATOM 240 CG LEU A 691 -4.043 13.150 6.369 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.565 13.113 4.914 1.00 0.00 C ATOM 242 CD2 LEU A 691 -2.936 13.736 7.255 1.00 0.00 C ATOM 0 H LEU A 691 -6.125 12.044 7.911 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.221 14.689 8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.117 13.389 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.235 14.898 5.992 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.242 12.145 6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.623 12.568 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.313 12.614 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.418 14.131 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.029 13.142 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -2.736 14.765 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.256 13.718 8.297 1.00 0.00 H new ATOM 254 N PRO A 692 -7.269 16.220 7.676 1.00 0.00 N ATOM 255 CA PRO A 692 -8.475 16.981 7.389 1.00 0.00 C ATOM 256 C PRO A 692 -9.110 16.510 6.080 1.00 0.00 C ATOM 257 O PRO A 692 -8.404 16.257 5.102 1.00 0.00 O ATOM 258 CB PRO A 692 -8.041 18.449 7.305 1.00 0.00 C ATOM 259 CG PRO A 692 -6.706 18.483 8.047 1.00 0.00 C ATOM 260 CD PRO A 692 -6.123 17.101 7.774 1.00 0.00 C ATOM 0 HA PRO A 692 -9.231 16.844 8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -7.931 18.774 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -8.773 19.109 7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.057 19.275 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -6.842 18.659 9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -5.541 17.094 6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.454 16.790 8.576 1.00 0.00 H new ATOM 268 N GLU A 693 -10.438 16.474 6.028 1.00 0.00 N ATOM 269 CA GLU A 693 -11.190 16.029 4.855 1.00 0.00 C ATOM 270 C GLU A 693 -10.812 16.818 3.593 1.00 0.00 C ATOM 271 O GLU A 693 -10.687 16.250 2.505 1.00 0.00 O ATOM 272 CB GLU A 693 -12.680 16.083 5.238 1.00 0.00 C ATOM 273 CG GLU A 693 -13.648 15.457 4.224 1.00 0.00 C ATOM 274 CD GLU A 693 -14.349 16.481 3.328 1.00 0.00 C ATOM 275 OE1 GLU A 693 -13.713 17.471 2.894 1.00 0.00 O ATOM 276 OE2 GLU A 693 -15.523 16.258 2.954 1.00 0.00 O ATOM 0 H GLU A 693 -11.031 16.756 6.808 1.00 0.00 H new ATOM 0 HA GLU A 693 -10.941 15.004 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -12.809 15.579 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -12.961 17.126 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -13.099 14.755 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -14.402 14.882 4.762 1.00 0.00 H new ATOM 283 N ALA A 694 -10.489 18.105 3.746 1.00 0.00 N ATOM 284 CA ALA A 694 -10.027 18.908 2.630 1.00 0.00 C ATOM 285 C ALA A 694 -8.609 18.557 2.182 1.00 0.00 C ATOM 286 O ALA A 694 -8.317 18.678 0.993 1.00 0.00 O ATOM 287 CB ALA A 694 -10.142 20.398 2.965 1.00 0.00 C ATOM 0 H ALA A 694 -10.542 18.605 4.633 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.676 18.678 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -9.792 20.989 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -11.183 20.645 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.533 20.622 3.841 1.00 0.00 H new ATOM 293 N VAL A 695 -7.738 18.103 3.089 1.00 0.00 N ATOM 294 CA VAL A 695 -6.429 17.603 2.686 1.00 0.00 C ATOM 295 C VAL A 695 -6.616 16.294 1.928 1.00 0.00 C ATOM 296 O VAL A 695 -5.970 16.108 0.898 1.00 0.00 O ATOM 297 CB VAL A 695 -5.479 17.442 3.890 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.170 16.718 3.519 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.146 18.818 4.488 1.00 0.00 C ATOM 0 H VAL A 695 -7.916 18.073 4.093 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.954 18.331 2.029 1.00 0.00 H new ATOM 0 HB VAL A 695 -6.001 16.827 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.539 16.632 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.400 15.723 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.644 17.287 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.475 18.693 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.663 19.436 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.064 19.302 4.820 1.00 0.00 H new ATOM 309 N GLN A 696 -7.502 15.411 2.410 1.00 0.00 N ATOM 310 CA GLN A 696 -7.766 14.136 1.758 1.00 0.00 C ATOM 311 C GLN A 696 -8.154 14.387 0.300 1.00 0.00 C ATOM 312 O GLN A 696 -7.573 13.812 -0.618 1.00 0.00 O ATOM 313 CB GLN A 696 -8.877 13.361 2.479 1.00 0.00 C ATOM 314 CG GLN A 696 -8.537 12.939 3.915 1.00 0.00 C ATOM 315 CD GLN A 696 -9.766 12.380 4.634 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.642 11.778 4.026 1.00 0.00 O ATOM 317 NE2 GLN A 696 -9.895 12.612 5.928 1.00 0.00 N ATOM 0 H GLN A 696 -8.049 15.566 3.257 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.862 13.529 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.776 13.977 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -9.114 12.469 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.749 12.186 3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.149 13.795 4.466 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.164 13.114 6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -10.726 12.289 6.424 1.00 0.00 H new ATOM 326 N LYS A 697 -9.104 15.301 0.092 1.00 0.00 N ATOM 327 CA LYS A 697 -9.517 15.725 -1.245 1.00 0.00 C ATOM 328 C LYS A 697 -8.356 16.213 -2.116 1.00 0.00 C ATOM 329 O LYS A 697 -8.274 15.810 -3.278 1.00 0.00 O ATOM 330 CB LYS A 697 -10.608 16.762 -1.131 1.00 0.00 C ATOM 331 CG LYS A 697 -11.886 16.008 -0.745 1.00 0.00 C ATOM 332 CD LYS A 697 -12.948 17.059 -0.566 1.00 0.00 C ATOM 333 CE LYS A 697 -14.259 16.417 -0.118 1.00 0.00 C ATOM 334 NZ LYS A 697 -15.109 17.383 0.601 1.00 0.00 N ATOM 0 H LYS A 697 -9.608 15.767 0.846 1.00 0.00 H new ATOM 0 HA LYS A 697 -9.907 14.848 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.356 17.509 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.740 17.292 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.168 15.296 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -11.741 15.439 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -12.623 17.792 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -13.099 17.596 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -14.795 16.034 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -14.047 15.564 0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -15.716 16.876 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -14.508 18.059 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -15.703 17.897 -0.080 1.00 0.00 H new ATOM 348 N GLU A 698 -7.480 17.072 -1.591 1.00 0.00 N ATOM 349 CA GLU A 698 -6.372 17.619 -2.372 1.00 0.00 C ATOM 350 C GLU A 698 -5.401 16.506 -2.778 1.00 0.00 C ATOM 351 O GLU A 698 -4.960 16.434 -3.919 1.00 0.00 O ATOM 352 CB GLU A 698 -5.659 18.729 -1.570 1.00 0.00 C ATOM 353 CG GLU A 698 -5.433 20.001 -2.401 1.00 0.00 C ATOM 354 CD GLU A 698 -4.677 19.735 -3.705 1.00 0.00 C ATOM 355 OE1 GLU A 698 -3.467 19.430 -3.653 1.00 0.00 O ATOM 356 OE2 GLU A 698 -5.297 19.813 -4.788 1.00 0.00 O ATOM 0 H GLU A 698 -7.518 17.403 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.764 18.062 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.252 18.975 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -4.699 18.356 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -6.397 20.454 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -4.876 20.724 -1.805 1.00 0.00 H new ATOM 363 N LEU A 699 -5.134 15.569 -1.869 1.00 0.00 N ATOM 364 CA LEU A 699 -4.306 14.395 -2.120 1.00 0.00 C ATOM 365 C LEU A 699 -4.923 13.497 -3.192 1.00 0.00 C ATOM 366 O LEU A 699 -4.174 12.921 -3.981 1.00 0.00 O ATOM 367 CB LEU A 699 -4.071 13.654 -0.790 1.00 0.00 C ATOM 368 CG LEU A 699 -2.918 14.169 0.107 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.661 13.320 -0.081 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.547 15.652 -0.054 1.00 0.00 C ATOM 0 H LEU A 699 -5.497 15.608 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.339 14.706 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.994 13.695 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.882 12.604 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 699 -3.318 14.073 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.865 13.701 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.877 12.286 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.343 13.367 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.729 15.898 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.236 15.840 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.412 16.271 0.182 1.00 0.00 H new ATOM 382 N LEU A 700 -6.255 13.408 -3.308 1.00 0.00 N ATOM 383 CA LEU A 700 -6.856 12.713 -4.447 1.00 0.00 C ATOM 384 C LEU A 700 -6.552 13.460 -5.742 1.00 0.00 C ATOM 385 O LEU A 700 -6.249 12.818 -6.746 1.00 0.00 O ATOM 386 CB LEU A 700 -8.378 12.531 -4.316 1.00 0.00 C ATOM 387 CG LEU A 700 -8.869 11.662 -3.146 1.00 0.00 C ATOM 388 CD1 LEU A 700 -10.341 11.295 -3.385 1.00 0.00 C ATOM 389 CD2 LEU A 700 -8.053 10.373 -2.970 1.00 0.00 C ATOM 0 H LEU A 700 -6.921 13.800 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 700 -6.410 11.718 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.832 13.517 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.750 12.096 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 700 -8.746 12.246 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -10.701 10.678 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -10.938 12.205 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.431 10.741 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -8.449 9.804 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.120 9.773 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -7.010 10.626 -2.778 1.00 0.00 H new ATOM 401 N ALA A 701 -6.627 14.795 -5.739 1.00 0.00 N ATOM 402 CA ALA A 701 -6.285 15.585 -6.909 1.00 0.00 C ATOM 403 C ALA A 701 -4.806 15.413 -7.256 1.00 0.00 C ATOM 404 O ALA A 701 -4.487 15.295 -8.435 1.00 0.00 O ATOM 405 CB ALA A 701 -6.659 17.058 -6.700 1.00 0.00 C ATOM 0 H ALA A 701 -6.923 15.345 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 701 -6.865 15.224 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -6.394 17.630 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -7.731 17.139 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.118 17.452 -5.840 1.00 0.00 H new ATOM 411 N GLU A 702 -3.911 15.331 -6.266 1.00 0.00 N ATOM 412 CA GLU A 702 -2.502 15.036 -6.483 1.00 0.00 C ATOM 413 C GLU A 702 -2.367 13.678 -7.162 1.00 0.00 C ATOM 414 O GLU A 702 -1.844 13.573 -8.271 1.00 0.00 O ATOM 415 CB GLU A 702 -1.705 15.116 -5.168 1.00 0.00 C ATOM 416 CG GLU A 702 -0.183 15.078 -5.399 1.00 0.00 C ATOM 417 CD GLU A 702 0.313 16.327 -6.135 1.00 0.00 C ATOM 418 OE1 GLU A 702 0.279 16.343 -7.385 1.00 0.00 O ATOM 419 OE2 GLU A 702 0.609 17.337 -5.464 1.00 0.00 O ATOM 0 H GLU A 702 -4.153 15.470 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.074 15.790 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -1.967 16.035 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -1.992 14.287 -4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 702 0.328 14.995 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 702 0.075 14.190 -5.976 1.00 0.00 H new ATOM 426 N TRP A 703 -2.938 12.632 -6.566 1.00 0.00 N ATOM 427 CA TRP A 703 -2.934 11.281 -7.119 1.00 0.00 C ATOM 428 C TRP A 703 -3.853 11.140 -8.343 1.00 0.00 C ATOM 429 O TRP A 703 -4.034 10.028 -8.845 1.00 0.00 O ATOM 430 CB TRP A 703 -3.276 10.295 -5.995 1.00 0.00 C ATOM 431 CG TRP A 703 -2.429 10.388 -4.771 1.00 0.00 C ATOM 432 CD1 TRP A 703 -1.125 10.737 -4.687 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.869 10.166 -3.407 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.731 10.736 -3.365 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.763 10.358 -2.535 1.00 0.00 C ATOM 436 CE3 TRP A 703 -4.113 9.847 -2.830 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.874 10.166 -1.154 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -4.246 9.696 -1.445 1.00 0.00 C ATOM 439 CH2 TRP A 703 -3.125 9.830 -0.611 1.00 0.00 C ATOM 0 H TRP A 703 -3.423 12.702 -5.672 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.939 11.050 -7.500 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -4.316 10.448 -5.707 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -3.200 9.282 -6.390 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.490 10.979 -5.526 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.205 10.984 -3.043 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.977 9.717 -3.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -1.010 10.275 -0.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -5.213 9.476 -1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -3.225 9.674 0.453 1.00 0.00 H new ATOM 450 N LYS A 704 -4.460 12.232 -8.828 1.00 0.00 N ATOM 451 CA LYS A 704 -5.168 12.289 -10.103 1.00 0.00 C ATOM 452 C LYS A 704 -4.636 13.396 -11.025 1.00 0.00 C ATOM 453 O LYS A 704 -5.232 13.656 -12.069 1.00 0.00 O ATOM 454 CB LYS A 704 -6.688 12.226 -9.878 1.00 0.00 C ATOM 455 CG LYS A 704 -7.532 11.887 -11.120 1.00 0.00 C ATOM 456 CD LYS A 704 -7.034 10.756 -12.041 1.00 0.00 C ATOM 457 CE LYS A 704 -6.906 9.364 -11.395 1.00 0.00 C ATOM 458 NZ LYS A 704 -5.529 9.034 -10.965 1.00 0.00 N ATOM 0 H LYS A 704 -4.469 13.120 -8.327 1.00 0.00 H new ATOM 0 HA LYS A 704 -4.949 11.396 -10.688 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -6.892 11.482 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -7.019 13.188 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.535 11.627 -10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -7.623 12.792 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -7.714 10.679 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -6.060 11.041 -12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -7.570 9.311 -10.532 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -7.246 8.610 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -5.426 8.002 -10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -4.850 9.402 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -5.342 9.466 -10.038 1.00 0.00 H new ATOM 472 N ARG A 705 -3.495 14.011 -10.687 1.00 0.00 N ATOM 473 CA ARG A 705 -2.735 14.909 -11.565 1.00 0.00 C ATOM 474 C ARG A 705 -1.303 14.408 -11.753 1.00 0.00 C ATOM 475 O ARG A 705 -0.513 15.074 -12.420 1.00 0.00 O ATOM 476 CB ARG A 705 -2.797 16.371 -11.086 1.00 0.00 C ATOM 477 CG ARG A 705 -1.910 16.695 -9.873 1.00 0.00 C ATOM 478 CD ARG A 705 -2.393 17.977 -9.184 1.00 0.00 C ATOM 479 NE ARG A 705 -1.768 18.169 -7.863 1.00 0.00 N ATOM 480 CZ ARG A 705 -2.375 18.630 -6.759 1.00 0.00 C ATOM 481 NH1 ARG A 705 -3.658 18.964 -6.784 1.00 0.00 N ATOM 482 NH2 ARG A 705 -1.710 18.764 -5.624 1.00 0.00 N ATOM 0 H ARG A 705 -3.064 13.894 -9.770 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.208 14.896 -12.547 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -2.508 17.021 -11.912 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -3.830 16.612 -10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -1.931 15.865 -9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -0.875 16.815 -10.193 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -2.169 18.835 -9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -3.476 17.940 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 705 -0.780 17.929 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -4.192 18.871 -7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -4.111 19.314 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -0.722 18.516 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -2.185 19.116 -4.793 1.00 0.00 H new ATOM 496 N THR A 706 -0.976 13.232 -11.215 1.00 0.00 N ATOM 497 CA THR A 706 0.331 12.582 -11.325 1.00 0.00 C ATOM 498 C THR A 706 0.220 11.187 -11.972 1.00 0.00 C ATOM 499 O THR A 706 1.230 10.557 -12.288 1.00 0.00 O ATOM 500 CB THR A 706 0.961 12.527 -9.920 1.00 0.00 C ATOM 501 OG1 THR A 706 0.077 11.962 -8.970 1.00 0.00 O ATOM 502 CG2 THR A 706 1.360 13.930 -9.442 1.00 0.00 C ATOM 0 H THR A 706 -1.641 12.684 -10.669 1.00 0.00 H new ATOM 0 HA THR A 706 0.978 13.160 -11.985 1.00 0.00 H new ATOM 0 HB THR A 706 1.847 11.897 -10.001 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.621 12.612 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 706 1.802 13.864 -8.448 1.00 0.00 H new ATOM 0 HG22 THR A 706 2.086 14.358 -10.134 1.00 0.00 H new ATOM 0 HG23 THR A 706 0.476 14.567 -9.404 1.00 0.00 H new ATOM 510 N GLY A 707 -1.011 10.727 -12.195 1.00 0.00 N ATOM 511 CA GLY A 707 -1.413 9.437 -12.719 1.00 0.00 C ATOM 512 C GLY A 707 -2.918 9.373 -12.531 1.00 0.00 C ATOM 513 O GLY A 707 -3.508 8.281 -12.632 1.00 0.00 O ATOM 514 OXT GLY A 707 -3.521 10.420 -12.193 1.00 0.00 O ATOM 0 H GLY A 707 -1.823 11.309 -11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -1.145 9.340 -13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -0.916 8.625 -12.187 1.00 0.00 H new TER 518 GLY A 707