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 Set 1.1: A 696 GLN : amide:sc= 0.869 K(o=0.89,f=-2.8) USER MOD Set 1.2: A 697 LYS NZ :NH3+ 163:sc= 0.024 (180deg=-0.563) USER MOD Single : A -1 MET CE :methyl -166:sc= -0.0147 (180deg=-0.27) USER MOD Single : A -2 HIS : no HE2:sc= 0.0333 K(o=0.033,f=-3.9!) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 1.53 (180deg=1.53) USER MOD Single : A 681 SER OG : rot -7:sc= 1.07 USER MOD Single : A 686 GLN : amide:sc= 0.556 K(o=0.56,f=-0.003) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 704 LYS NZ :NH3+ -165:sc= -0.734! (180deg=-1.42!) USER MOD Single : A 706 THR OG1 : rot -84:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 2.037 2.529 4.934 1.00 0.00 N ATOM 2 CA GLY A -3 1.520 2.380 3.572 1.00 0.00 C ATOM 3 C GLY A -3 1.546 0.948 3.105 1.00 0.00 C ATOM 4 O GLY A -3 2.612 0.413 2.808 1.00 0.00 O ATOM 0 H1 GLY A -3 2.000 3.530 5.212 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.457 1.966 5.589 1.00 0.00 H new ATOM 0 H3 GLY A -3 3.022 2.196 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A -3 0.497 2.755 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A -3 2.112 2.993 2.892 1.00 0.00 H new ATOM 10 N HIS A -2 0.364 0.343 3.035 1.00 0.00 N ATOM 11 CA HIS A -2 0.128 -0.949 2.404 1.00 0.00 C ATOM 12 C HIS A -2 -1.091 -0.864 1.479 1.00 0.00 C ATOM 13 O HIS A -2 -1.201 -1.667 0.557 1.00 0.00 O ATOM 14 CB HIS A -2 -0.014 -2.062 3.452 1.00 0.00 C ATOM 15 CG HIS A -2 -1.296 -2.006 4.245 1.00 0.00 C ATOM 16 ND1 HIS A -2 -1.607 -1.101 5.231 1.00 0.00 N ATOM 17 CD2 HIS A -2 -2.395 -2.807 4.074 1.00 0.00 C ATOM 18 CE1 HIS A -2 -2.865 -1.345 5.631 1.00 0.00 C ATOM 19 NE2 HIS A -2 -3.391 -2.382 4.959 1.00 0.00 N ATOM 0 H HIS A -2 -0.483 0.753 3.429 1.00 0.00 H new ATOM 0 HA HIS A -2 0.993 -1.208 1.794 1.00 0.00 H new ATOM 0 HB2 HIS A -2 0.048 -3.028 2.950 1.00 0.00 H new ATOM 0 HB3 HIS A -2 0.829 -2.006 4.141 1.00 0.00 H new ATOM 0 HD1 HIS A -2 -0.992 -0.373 5.594 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -2.478 -3.626 3.375 1.00 0.00 H new ATOM 0 HE1 HIS A -2 -3.385 -0.782 6.392 1.00 0.00 H new ATOM 27 N MET A -1 -1.968 0.136 1.665 1.00 0.00 N ATOM 28 CA MET A -1 -3.044 0.453 0.722 1.00 0.00 C ATOM 29 C MET A -1 -3.179 1.974 0.504 1.00 0.00 C ATOM 30 O MET A -1 -4.213 2.459 0.052 1.00 0.00 O ATOM 31 CB MET A -1 -4.349 -0.246 1.137 1.00 0.00 C ATOM 32 CG MET A -1 -4.890 0.234 2.485 1.00 0.00 C ATOM 33 SD MET A -1 -6.570 -0.346 2.866 1.00 0.00 S ATOM 34 CE MET A -1 -7.536 0.599 1.656 1.00 0.00 C ATOM 0 H MET A -1 -1.947 0.749 2.480 1.00 0.00 H new ATOM 0 HA MET A -1 -2.787 0.053 -0.259 1.00 0.00 H new ATOM 0 HB2 MET A -1 -5.104 -0.077 0.369 1.00 0.00 H new ATOM 0 HB3 MET A -1 -4.178 -1.321 1.184 1.00 0.00 H new ATOM 0 HG2 MET A -1 -4.215 -0.100 3.274 1.00 0.00 H new ATOM 0 HG3 MET A -1 -4.883 1.324 2.499 1.00 0.00 H new ATOM 0 HE1 MET A -1 -8.593 0.551 1.917 1.00 0.00 H new ATOM 0 HE2 MET A -1 -7.208 1.639 1.661 1.00 0.00 H new ATOM 0 HE3 MET A -1 -7.388 0.176 0.662 1.00 0.00 H new ATOM 44 N PHE A 679 -2.123 2.722 0.822 1.00 0.00 N ATOM 45 CA PHE A 679 -1.884 4.132 0.533 1.00 0.00 C ATOM 46 C PHE A 679 -0.358 4.242 0.343 1.00 0.00 C ATOM 47 O PHE A 679 0.347 3.394 0.903 1.00 0.00 O ATOM 48 CB PHE A 679 -2.345 5.004 1.714 1.00 0.00 C ATOM 49 CG PHE A 679 -3.759 5.550 1.642 1.00 0.00 C ATOM 50 CD1 PHE A 679 -3.988 6.790 1.013 1.00 0.00 C ATOM 51 CD2 PHE A 679 -4.835 4.872 2.255 1.00 0.00 C ATOM 52 CE1 PHE A 679 -5.290 7.309 0.944 1.00 0.00 C ATOM 53 CE2 PHE A 679 -6.130 5.430 2.238 1.00 0.00 C ATOM 54 CZ PHE A 679 -6.360 6.633 1.550 1.00 0.00 C ATOM 0 H PHE A 679 -1.341 2.316 1.337 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.432 4.474 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.252 4.417 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.659 5.846 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -3.163 7.340 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -4.666 3.922 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -5.470 8.236 0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -6.941 4.935 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 679 -7.360 7.037 1.488 1.00 0.00 H new ATOM 64 N PRO A 680 0.153 5.258 -0.390 1.00 0.00 N ATOM 65 CA PRO A 680 1.544 5.419 -0.811 1.00 0.00 C ATOM 66 C PRO A 680 2.612 4.520 -0.179 1.00 0.00 C ATOM 67 O PRO A 680 2.924 3.478 -0.755 1.00 0.00 O ATOM 68 CB PRO A 680 1.786 6.924 -0.733 1.00 0.00 C ATOM 69 CG PRO A 680 0.495 7.410 -1.400 1.00 0.00 C ATOM 70 CD PRO A 680 -0.573 6.410 -0.929 1.00 0.00 C ATOM 0 HA PRO A 680 1.673 5.030 -1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.891 7.281 0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 680 2.681 7.235 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 680 0.249 8.428 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 680 0.585 7.414 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.215 6.856 -0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -1.218 6.111 -1.756 1.00 0.00 H new ATOM 78 N SER A 681 3.211 4.897 0.952 1.00 0.00 N ATOM 79 CA SER A 681 4.206 4.057 1.631 1.00 0.00 C ATOM 80 C SER A 681 4.328 4.454 3.100 1.00 0.00 C ATOM 81 O SER A 681 4.400 3.583 3.965 1.00 0.00 O ATOM 82 CB SER A 681 5.583 4.184 0.959 1.00 0.00 C ATOM 83 OG SER A 681 5.564 3.724 -0.378 1.00 0.00 O ATOM 0 H SER A 681 3.025 5.783 1.421 1.00 0.00 H new ATOM 0 HA SER A 681 3.869 3.023 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 681 5.902 5.226 0.979 1.00 0.00 H new ATOM 0 HB3 SER A 681 6.318 3.615 1.528 1.00 0.00 H new ATOM 0 HG SER A 681 4.694 3.316 -0.571 1.00 0.00 H new ATOM 89 N ASP A 682 4.279 5.750 3.386 1.00 0.00 N ATOM 90 CA ASP A 682 4.196 6.317 4.719 1.00 0.00 C ATOM 91 C ASP A 682 2.766 6.143 5.238 1.00 0.00 C ATOM 92 O ASP A 682 2.514 5.236 6.037 1.00 0.00 O ATOM 93 CB ASP A 682 4.673 7.789 4.680 1.00 0.00 C ATOM 94 CG ASP A 682 3.847 8.695 3.751 1.00 0.00 C ATOM 95 OD1 ASP A 682 3.564 8.252 2.611 1.00 0.00 O ATOM 96 OD2 ASP A 682 3.395 9.754 4.225 1.00 0.00 O ATOM 0 H ASP A 682 4.297 6.464 2.658 1.00 0.00 H new ATOM 0 HA ASP A 682 4.853 5.801 5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 682 4.640 8.197 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.715 7.813 4.360 1.00 0.00 H new ATOM 101 N ILE A 683 1.814 6.928 4.735 1.00 0.00 N ATOM 102 CA ILE A 683 0.415 6.960 5.141 1.00 0.00 C ATOM 103 C ILE A 683 -0.252 5.598 4.973 1.00 0.00 C ATOM 104 O ILE A 683 0.154 4.784 4.147 1.00 0.00 O ATOM 105 CB ILE A 683 -0.360 8.030 4.330 1.00 0.00 C ATOM 106 CG1 ILE A 683 0.013 8.052 2.830 1.00 0.00 C ATOM 107 CG2 ILE A 683 -0.197 9.437 4.913 1.00 0.00 C ATOM 108 CD1 ILE A 683 -0.967 8.875 1.994 1.00 0.00 C ATOM 0 H ILE A 683 2.013 7.596 3.990 1.00 0.00 H new ATOM 0 HA ILE A 683 0.388 7.220 6.199 1.00 0.00 H new ATOM 0 HB ILE A 683 -1.405 7.731 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 683 1.017 8.461 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 683 0.040 7.030 2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -0.759 10.149 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -0.573 9.453 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 683 0.858 9.712 4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -0.658 8.857 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -1.967 8.451 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -0.975 9.904 2.352 1.00 0.00 H new ATOM 120 N ASP A 684 -1.324 5.377 5.731 1.00 0.00 N ATOM 121 CA ASP A 684 -2.247 4.253 5.598 1.00 0.00 C ATOM 122 C ASP A 684 -3.649 4.799 5.863 1.00 0.00 C ATOM 123 O ASP A 684 -3.738 5.951 6.282 1.00 0.00 O ATOM 124 CB ASP A 684 -1.802 3.048 6.443 1.00 0.00 C ATOM 125 CG ASP A 684 -1.210 1.955 5.545 1.00 0.00 C ATOM 126 OD1 ASP A 684 -1.695 1.727 4.414 1.00 0.00 O ATOM 127 OD2 ASP A 684 -0.214 1.314 5.943 1.00 0.00 O ATOM 0 H ASP A 684 -1.584 6.007 6.490 1.00 0.00 H new ATOM 0 HA ASP A 684 -2.252 3.829 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -1.062 3.364 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -2.652 2.651 6.998 1.00 0.00 H new ATOM 132 N PRO A 685 -4.754 4.067 5.625 1.00 0.00 N ATOM 133 CA PRO A 685 -6.093 4.641 5.639 1.00 0.00 C ATOM 134 C PRO A 685 -6.435 5.355 6.920 1.00 0.00 C ATOM 135 O PRO A 685 -7.126 6.364 6.864 1.00 0.00 O ATOM 136 CB PRO A 685 -7.089 3.495 5.432 1.00 0.00 C ATOM 137 CG PRO A 685 -6.227 2.364 4.896 1.00 0.00 C ATOM 138 CD PRO A 685 -4.871 2.628 5.539 1.00 0.00 C ATOM 0 HA PRO A 685 -6.140 5.389 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -7.580 3.217 6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -7.874 3.769 4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -6.623 1.388 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -6.168 2.383 3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.810 2.170 6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -4.064 2.204 4.941 1.00 0.00 H new ATOM 146 N GLN A 686 -5.956 4.827 8.048 1.00 0.00 N ATOM 147 CA GLN A 686 -6.236 5.467 9.309 1.00 0.00 C ATOM 148 C GLN A 686 -5.592 6.854 9.279 1.00 0.00 C ATOM 149 O GLN A 686 -6.291 7.859 9.320 1.00 0.00 O ATOM 150 CB GLN A 686 -5.744 4.605 10.478 1.00 0.00 C ATOM 151 CG GLN A 686 -6.488 4.989 11.760 1.00 0.00 C ATOM 152 CD GLN A 686 -5.682 4.602 12.990 1.00 0.00 C ATOM 153 OE1 GLN A 686 -5.703 3.450 13.412 1.00 0.00 O ATOM 154 NE2 GLN A 686 -4.923 5.524 13.547 1.00 0.00 N ATOM 0 H GLN A 686 -5.389 3.981 8.103 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.309 5.581 9.460 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -5.905 3.550 10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -4.671 4.741 10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -6.678 6.062 11.768 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -7.458 4.493 11.785 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -4.922 6.475 13.178 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -4.336 5.287 14.347 1.00 0.00 H new ATOM 163 N VAL A 687 -4.280 6.874 9.027 1.00 0.00 N ATOM 164 CA VAL A 687 -3.450 8.070 9.089 1.00 0.00 C ATOM 165 C VAL A 687 -3.942 9.087 8.062 1.00 0.00 C ATOM 166 O VAL A 687 -3.928 10.289 8.317 1.00 0.00 O ATOM 167 CB VAL A 687 -1.971 7.688 8.835 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.017 8.842 9.169 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.523 6.443 9.624 1.00 0.00 C ATOM 0 H VAL A 687 -3.758 6.037 8.769 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.521 8.522 10.078 1.00 0.00 H new ATOM 0 HB VAL A 687 -1.920 7.461 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 687 0.010 8.532 8.977 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.258 9.705 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -1.124 9.110 10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.478 6.228 9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -1.636 6.629 10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.138 5.590 9.337 1.00 0.00 H new ATOM 179 N PHE A 688 -4.371 8.606 6.894 1.00 0.00 N ATOM 180 CA PHE A 688 -4.791 9.443 5.799 1.00 0.00 C ATOM 181 C PHE A 688 -6.167 10.039 6.054 1.00 0.00 C ATOM 182 O PHE A 688 -6.387 11.197 5.717 1.00 0.00 O ATOM 183 CB PHE A 688 -4.820 8.644 4.499 1.00 0.00 C ATOM 184 CG PHE A 688 -5.161 9.551 3.342 1.00 0.00 C ATOM 185 CD1 PHE A 688 -4.203 10.479 2.905 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.455 9.559 2.784 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.525 11.379 1.884 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.761 10.434 1.728 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.784 11.329 1.267 1.00 0.00 C ATOM 0 H PHE A 688 -4.433 7.608 6.692 1.00 0.00 H new ATOM 0 HA PHE A 688 -4.070 10.256 5.713 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.851 8.174 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -5.555 7.842 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -3.221 10.498 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -7.212 8.892 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.801 12.116 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.741 10.418 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 688 -6.002 11.982 0.434 1.00 0.00 H new ATOM 199 N TYR A 689 -7.111 9.276 6.603 1.00 0.00 N ATOM 200 CA TYR A 689 -8.444 9.791 6.876 1.00 0.00 C ATOM 201 C TYR A 689 -8.471 10.570 8.200 1.00 0.00 C ATOM 202 O TYR A 689 -9.414 11.318 8.442 1.00 0.00 O ATOM 203 CB TYR A 689 -9.467 8.652 6.802 1.00 0.00 C ATOM 204 CG TYR A 689 -9.638 7.958 5.450 1.00 0.00 C ATOM 205 CD1 TYR A 689 -9.725 8.696 4.253 1.00 0.00 C ATOM 206 CD2 TYR A 689 -9.759 6.556 5.402 1.00 0.00 C ATOM 207 CE1 TYR A 689 -9.897 8.035 3.023 1.00 0.00 C ATOM 208 CE2 TYR A 689 -9.925 5.883 4.179 1.00 0.00 C ATOM 209 CZ TYR A 689 -9.994 6.628 2.978 1.00 0.00 C ATOM 210 OH TYR A 689 -10.150 5.995 1.781 1.00 0.00 O ATOM 0 H TYR A 689 -6.974 8.300 6.866 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.727 10.513 6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -9.187 7.897 7.537 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.437 9.048 7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -9.659 9.774 4.280 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -9.724 5.988 6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -9.955 8.607 2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -9.999 4.806 4.156 1.00 0.00 H new ATOM 0 HH TYR A 689 -10.199 5.027 1.927 1.00 0.00 H new ATOM 220 N GLU A 690 -7.436 10.442 9.038 1.00 0.00 N ATOM 221 CA GLU A 690 -7.204 11.282 10.216 1.00 0.00 C ATOM 222 C GLU A 690 -6.705 12.674 9.790 1.00 0.00 C ATOM 223 O GLU A 690 -6.641 13.590 10.615 1.00 0.00 O ATOM 224 CB GLU A 690 -6.183 10.601 11.154 1.00 0.00 C ATOM 225 CG GLU A 690 -6.815 9.478 11.993 1.00 0.00 C ATOM 226 CD GLU A 690 -5.770 8.632 12.741 1.00 0.00 C ATOM 227 OE1 GLU A 690 -4.978 7.901 12.098 1.00 0.00 O ATOM 228 OE2 GLU A 690 -5.801 8.630 13.989 1.00 0.00 O ATOM 0 H GLU A 690 -6.717 9.730 8.911 1.00 0.00 H new ATOM 0 HA GLU A 690 -8.144 11.407 10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -5.366 10.191 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -5.750 11.348 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -7.506 9.914 12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -7.401 8.830 11.342 1.00 0.00 H new ATOM 235 N LEU A 691 -6.368 12.863 8.505 1.00 0.00 N ATOM 236 CA LEU A 691 -6.068 14.170 7.935 1.00 0.00 C ATOM 237 C LEU A 691 -7.379 14.934 7.711 1.00 0.00 C ATOM 238 O LEU A 691 -8.412 14.313 7.440 1.00 0.00 O ATOM 239 CB LEU A 691 -5.335 14.038 6.588 1.00 0.00 C ATOM 240 CG LEU A 691 -4.024 13.236 6.622 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.334 13.306 5.255 1.00 0.00 C ATOM 242 CD2 LEU A 691 -3.045 13.697 7.711 1.00 0.00 C ATOM 0 H LEU A 691 -6.298 12.100 7.832 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.422 14.705 8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.009 13.568 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.119 15.038 6.213 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.302 12.210 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.406 12.736 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -3.992 12.887 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.113 14.345 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.144 13.085 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -2.781 14.741 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.514 13.593 8.690 1.00 0.00 H new ATOM 254 N PRO A 692 -7.355 16.282 7.729 1.00 0.00 N ATOM 255 CA PRO A 692 -8.535 17.094 7.472 1.00 0.00 C ATOM 256 C PRO A 692 -9.151 16.736 6.124 1.00 0.00 C ATOM 257 O PRO A 692 -8.427 16.486 5.158 1.00 0.00 O ATOM 258 CB PRO A 692 -8.066 18.556 7.478 1.00 0.00 C ATOM 259 CG PRO A 692 -6.727 18.513 8.212 1.00 0.00 C ATOM 260 CD PRO A 692 -6.186 17.134 7.851 1.00 0.00 C ATOM 0 HA PRO A 692 -9.301 16.923 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -7.953 18.943 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -8.780 19.202 7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.059 19.308 7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -6.852 18.629 9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -5.623 17.165 6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.508 16.764 8.620 1.00 0.00 H new ATOM 268 N GLU A 693 -10.480 16.829 6.038 1.00 0.00 N ATOM 269 CA GLU A 693 -11.254 16.466 4.855 1.00 0.00 C ATOM 270 C GLU A 693 -10.645 17.033 3.581 1.00 0.00 C ATOM 271 O GLU A 693 -10.374 16.302 2.629 1.00 0.00 O ATOM 272 CB GLU A 693 -12.711 16.936 5.068 1.00 0.00 C ATOM 273 CG GLU A 693 -13.689 16.698 3.899 1.00 0.00 C ATOM 274 CD GLU A 693 -13.897 15.220 3.557 1.00 0.00 C ATOM 275 OE1 GLU A 693 -13.215 14.355 4.142 1.00 0.00 O ATOM 276 OE2 GLU A 693 -14.602 14.920 2.570 1.00 0.00 O ATOM 0 H GLU A 693 -11.058 17.167 6.808 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.240 15.384 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.106 16.433 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -12.696 18.003 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -14.653 17.143 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -13.317 17.217 3.015 1.00 0.00 H new ATOM 283 N ALA A 694 -10.341 18.331 3.584 1.00 0.00 N ATOM 284 CA ALA A 694 -9.815 18.983 2.401 1.00 0.00 C ATOM 285 C ALA A 694 -8.407 18.523 2.036 1.00 0.00 C ATOM 286 O ALA A 694 -8.084 18.522 0.854 1.00 0.00 O ATOM 287 CB ALA A 694 -9.885 20.497 2.579 1.00 0.00 C ATOM 0 H ALA A 694 -10.452 18.943 4.392 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.440 18.690 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -9.489 20.987 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -10.922 20.798 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.294 20.789 3.447 1.00 0.00 H new ATOM 293 N VAL A 695 -7.598 18.090 3.005 1.00 0.00 N ATOM 294 CA VAL A 695 -6.306 17.501 2.693 1.00 0.00 C ATOM 295 C VAL A 695 -6.515 16.152 2.013 1.00 0.00 C ATOM 296 O VAL A 695 -5.788 15.828 1.077 1.00 0.00 O ATOM 297 CB VAL A 695 -5.412 17.365 3.941 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.078 16.676 3.614 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.132 18.749 4.549 1.00 0.00 C ATOM 0 H VAL A 695 -7.816 18.138 4.000 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.781 18.170 2.011 1.00 0.00 H new ATOM 0 HB VAL A 695 -5.950 16.747 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.477 16.599 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.271 15.678 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.539 17.262 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.500 18.638 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.624 19.373 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.073 19.218 4.835 1.00 0.00 H new ATOM 309 N GLN A 696 -7.511 15.373 2.441 1.00 0.00 N ATOM 310 CA GLN A 696 -7.751 14.062 1.853 1.00 0.00 C ATOM 311 C GLN A 696 -8.137 14.248 0.392 1.00 0.00 C ATOM 312 O GLN A 696 -7.637 13.571 -0.502 1.00 0.00 O ATOM 313 CB GLN A 696 -8.901 13.330 2.549 1.00 0.00 C ATOM 314 CG GLN A 696 -8.742 13.050 4.043 1.00 0.00 C ATOM 315 CD GLN A 696 -10.073 12.568 4.617 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.922 12.061 3.881 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.292 12.739 5.907 1.00 0.00 N ATOM 0 H GLN A 696 -8.158 15.628 3.187 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.841 13.473 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.809 13.916 2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -9.054 12.378 2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.971 12.296 4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.417 13.953 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.573 13.161 6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.180 12.449 6.316 1.00 0.00 H new ATOM 326 N LYS A 697 -9.069 15.175 0.166 1.00 0.00 N ATOM 327 CA LYS A 697 -9.549 15.505 -1.163 1.00 0.00 C ATOM 328 C LYS A 697 -8.390 16.017 -2.030 1.00 0.00 C ATOM 329 O LYS A 697 -8.243 15.557 -3.159 1.00 0.00 O ATOM 330 CB LYS A 697 -10.687 16.526 -1.052 1.00 0.00 C ATOM 331 CG LYS A 697 -12.094 15.896 -0.998 1.00 0.00 C ATOM 332 CD LYS A 697 -12.518 15.227 0.319 1.00 0.00 C ATOM 333 CE LYS A 697 -12.042 13.780 0.566 1.00 0.00 C ATOM 334 NZ LYS A 697 -12.625 13.201 1.804 1.00 0.00 N ATOM 0 H LYS A 697 -9.510 15.717 0.909 1.00 0.00 H new ATOM 0 HA LYS A 697 -9.945 14.615 -1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.535 17.128 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.637 17.204 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.821 16.674 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -12.160 15.151 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -12.158 15.845 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -13.607 15.236 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -12.315 13.159 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.954 13.764 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.521 12.166 1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -12.128 13.584 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -13.634 13.447 1.861 1.00 0.00 H new ATOM 348 N GLU A 698 -7.567 16.927 -1.510 1.00 0.00 N ATOM 349 CA GLU A 698 -6.444 17.521 -2.229 1.00 0.00 C ATOM 350 C GLU A 698 -5.400 16.468 -2.615 1.00 0.00 C ATOM 351 O GLU A 698 -4.925 16.445 -3.745 1.00 0.00 O ATOM 352 CB GLU A 698 -5.858 18.632 -1.338 1.00 0.00 C ATOM 353 CG GLU A 698 -4.574 19.289 -1.851 1.00 0.00 C ATOM 354 CD GLU A 698 -4.678 19.846 -3.275 1.00 0.00 C ATOM 355 OE1 GLU A 698 -5.792 20.074 -3.799 1.00 0.00 O ATOM 356 OE2 GLU A 698 -3.619 20.016 -3.906 1.00 0.00 O ATOM 0 H GLU A 698 -7.666 17.278 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.781 17.950 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.614 19.407 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -5.661 18.214 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -4.299 20.099 -1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -3.767 18.558 -1.817 1.00 0.00 H new ATOM 363 N LEU A 699 -5.075 15.552 -1.700 1.00 0.00 N ATOM 364 CA LEU A 699 -4.109 14.482 -1.941 1.00 0.00 C ATOM 365 C LEU A 699 -4.638 13.523 -2.998 1.00 0.00 C ATOM 366 O LEU A 699 -3.876 13.109 -3.867 1.00 0.00 O ATOM 367 CB LEU A 699 -3.820 13.760 -0.617 1.00 0.00 C ATOM 368 CG LEU A 699 -2.756 14.370 0.335 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.442 13.585 0.249 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.464 15.862 0.138 1.00 0.00 C ATOM 0 H LEU A 699 -5.479 15.533 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.176 14.901 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.758 13.688 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.510 12.742 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 699 -3.205 14.285 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.709 14.028 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.618 12.548 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.063 13.620 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.707 16.182 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.099 16.031 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.378 16.435 0.295 1.00 0.00 H new ATOM 382 N LEU A 700 -5.935 13.205 -2.990 1.00 0.00 N ATOM 383 CA LEU A 700 -6.539 12.419 -4.063 1.00 0.00 C ATOM 384 C LEU A 700 -6.457 13.180 -5.387 1.00 0.00 C ATOM 385 O LEU A 700 -6.140 12.579 -6.419 1.00 0.00 O ATOM 386 CB LEU A 700 -7.990 12.054 -3.703 1.00 0.00 C ATOM 387 CG LEU A 700 -8.077 10.942 -2.632 1.00 0.00 C ATOM 388 CD1 LEU A 700 -9.462 10.934 -1.976 1.00 0.00 C ATOM 389 CD2 LEU A 700 -7.808 9.557 -3.242 1.00 0.00 C ATOM 0 H LEU A 700 -6.584 13.480 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 700 -5.984 11.488 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.505 12.944 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.512 11.728 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 700 -7.315 11.154 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -9.504 10.145 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -9.645 11.898 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.223 10.754 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -7.876 8.797 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.547 9.351 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -6.810 9.540 -3.679 1.00 0.00 H new ATOM 401 N ALA A 701 -6.706 14.494 -5.377 1.00 0.00 N ATOM 402 CA ALA A 701 -6.568 15.310 -6.571 1.00 0.00 C ATOM 403 C ALA A 701 -5.124 15.262 -7.072 1.00 0.00 C ATOM 404 O ALA A 701 -4.924 15.067 -8.263 1.00 0.00 O ATOM 405 CB ALA A 701 -7.039 16.745 -6.318 1.00 0.00 C ATOM 0 H ALA A 701 -7.005 15.009 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.210 14.903 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -6.924 17.332 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.088 16.737 -6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.441 17.189 -5.522 1.00 0.00 H new ATOM 411 N GLU A 702 -4.125 15.367 -6.197 1.00 0.00 N ATOM 412 CA GLU A 702 -2.717 15.280 -6.575 1.00 0.00 C ATOM 413 C GLU A 702 -2.402 13.914 -7.190 1.00 0.00 C ATOM 414 O GLU A 702 -1.856 13.827 -8.291 1.00 0.00 O ATOM 415 CB GLU A 702 -1.833 15.598 -5.355 1.00 0.00 C ATOM 416 CG GLU A 702 -0.341 15.695 -5.718 1.00 0.00 C ATOM 417 CD GLU A 702 -0.094 16.639 -6.899 1.00 0.00 C ATOM 418 OE1 GLU A 702 -0.632 17.771 -6.872 1.00 0.00 O ATOM 419 OE2 GLU A 702 0.557 16.199 -7.867 1.00 0.00 O ATOM 0 H GLU A 702 -4.272 15.516 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.499 16.021 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.157 16.539 -4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -1.970 14.825 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 702 0.220 16.045 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 702 0.037 14.702 -5.963 1.00 0.00 H new ATOM 426 N TRP A 703 -2.850 12.835 -6.553 1.00 0.00 N ATOM 427 CA TRP A 703 -2.751 11.481 -7.093 1.00 0.00 C ATOM 428 C TRP A 703 -3.664 11.262 -8.314 1.00 0.00 C ATOM 429 O TRP A 703 -3.707 10.160 -8.865 1.00 0.00 O ATOM 430 CB TRP A 703 -3.019 10.496 -5.953 1.00 0.00 C ATOM 431 CG TRP A 703 -2.136 10.623 -4.755 1.00 0.00 C ATOM 432 CD1 TRP A 703 -0.841 11.011 -4.708 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.531 10.399 -3.379 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.414 11.028 -3.394 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.419 10.651 -2.529 1.00 0.00 C ATOM 436 CE3 TRP A 703 -3.749 10.032 -2.781 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.505 10.501 -1.138 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -3.858 9.917 -1.389 1.00 0.00 C ATOM 439 CH2 TRP A 703 -2.736 10.131 -0.574 1.00 0.00 C ATOM 0 H TRP A 703 -3.297 12.876 -5.637 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.746 11.312 -7.480 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -4.053 10.616 -5.631 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -2.923 9.483 -6.345 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.235 11.268 -5.564 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.528 11.287 -3.100 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.611 9.836 -3.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.641 10.667 -0.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -4.808 9.663 -0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -2.820 10.010 0.496 1.00 0.00 H new ATOM 450 N LYS A 704 -4.421 12.275 -8.745 1.00 0.00 N ATOM 451 CA LYS A 704 -5.157 12.304 -10.010 1.00 0.00 C ATOM 452 C LYS A 704 -4.666 13.428 -10.943 1.00 0.00 C ATOM 453 O LYS A 704 -5.218 13.607 -12.026 1.00 0.00 O ATOM 454 CB LYS A 704 -6.664 12.282 -9.703 1.00 0.00 C ATOM 455 CG LYS A 704 -7.591 11.903 -10.869 1.00 0.00 C ATOM 456 CD LYS A 704 -7.224 10.641 -11.672 1.00 0.00 C ATOM 457 CE LYS A 704 -7.020 9.351 -10.850 1.00 0.00 C ATOM 458 NZ LYS A 704 -5.598 9.029 -10.605 1.00 0.00 N ATOM 0 H LYS A 704 -4.542 13.129 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 704 -4.953 11.410 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -6.837 11.581 -8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -6.954 13.269 -9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.598 11.771 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -7.628 12.745 -11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -8.010 10.460 -12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -6.309 10.842 -12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -7.531 9.454 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -7.488 8.518 -11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -5.516 8.044 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -5.058 9.149 -11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -5.218 9.667 -9.876 1.00 0.00 H new ATOM 472 N ARG A 705 -3.624 14.172 -10.558 1.00 0.00 N ATOM 473 CA ARG A 705 -2.889 15.101 -11.425 1.00 0.00 C ATOM 474 C ARG A 705 -1.655 14.394 -12.006 1.00 0.00 C ATOM 475 O ARG A 705 -1.034 14.935 -12.918 1.00 0.00 O ATOM 476 CB ARG A 705 -2.398 16.330 -10.627 1.00 0.00 C ATOM 477 CG ARG A 705 -3.507 17.312 -10.221 1.00 0.00 C ATOM 478 CD ARG A 705 -3.012 18.278 -9.132 1.00 0.00 C ATOM 479 NE ARG A 705 -4.120 18.876 -8.361 1.00 0.00 N ATOM 480 CZ ARG A 705 -4.082 19.211 -7.056 1.00 0.00 C ATOM 481 NH1 ARG A 705 -3.011 18.997 -6.312 1.00 0.00 N ATOM 482 NH2 ARG A 705 -5.142 19.789 -6.495 1.00 0.00 N ATOM 0 H ARG A 705 -3.257 14.144 -9.607 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.564 15.425 -12.218 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -1.890 15.983 -9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -1.659 16.864 -11.225 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -3.835 17.878 -11.093 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -4.373 16.759 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -2.347 17.745 -8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -2.425 19.072 -9.594 1.00 0.00 H new ATOM 0 HE ARG A 705 -4.992 19.051 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -2.182 18.567 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -3.013 19.262 -5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -5.976 19.976 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -5.120 20.045 -5.508 1.00 0.00 H new ATOM 496 N THR A 706 -1.305 13.211 -11.495 1.00 0.00 N ATOM 497 CA THR A 706 -0.041 12.530 -11.770 1.00 0.00 C ATOM 498 C THR A 706 -0.214 11.123 -12.363 1.00 0.00 C ATOM 499 O THR A 706 0.774 10.481 -12.720 1.00 0.00 O ATOM 500 CB THR A 706 0.751 12.501 -10.445 1.00 0.00 C ATOM 501 OG1 THR A 706 -0.063 12.081 -9.362 1.00 0.00 O ATOM 502 CG2 THR A 706 1.312 13.886 -10.103 1.00 0.00 C ATOM 0 H THR A 706 -1.910 12.688 -10.862 1.00 0.00 H new ATOM 0 HA THR A 706 0.501 13.077 -12.541 1.00 0.00 H new ATOM 0 HB THR A 706 1.567 11.793 -10.590 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.557 12.849 -9.007 1.00 0.00 H new ATOM 0 HG21 THR A 706 1.864 13.833 -9.165 1.00 0.00 H new ATOM 0 HG22 THR A 706 1.980 14.215 -10.899 1.00 0.00 H new ATOM 0 HG23 THR A 706 0.491 14.596 -10.001 1.00 0.00 H new ATOM 510 N GLY A 707 -1.451 10.643 -12.494 1.00 0.00 N ATOM 511 CA GLY A 707 -1.820 9.311 -12.936 1.00 0.00 C ATOM 512 C GLY A 707 -3.285 9.142 -12.588 1.00 0.00 C ATOM 513 O GLY A 707 -3.978 10.175 -12.459 1.00 0.00 O ATOM 514 OXT GLY A 707 -3.743 8.013 -12.328 1.00 0.00 O ATOM 0 H GLY A 707 -2.268 11.215 -12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -1.659 9.198 -14.008 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -1.212 8.554 -12.441 1.00 0.00 H new TER 518 GLY A 707