USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=6 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= 1.06 K(o=0.29,f=-6.3!) USER MOD Set 1.2: A 697 LYS NZ :NH3+ 180:sc= -0.771 (180deg=-0.81) USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HE2:sc= 0.966 K(o=0.97,f=-3.2!) USER MOD Single : A -3 GLY N :NH3+ -151:sc= 1.06 (180deg=0.914) USER MOD Single : A 681 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 686 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0051) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 704 LYS NZ :NH3+ 173:sc= 0.883 (180deg=0.0254!) USER MOD Single : A 706 THR OG1 : rot 70:sc= 0.677 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 2.395 3.050 3.907 1.00 0.00 N ATOM 2 CA GLY A -3 1.566 1.955 4.403 1.00 0.00 C ATOM 3 C GLY A -3 1.488 0.842 3.383 1.00 0.00 C ATOM 4 O GLY A -3 2.512 0.482 2.803 1.00 0.00 O ATOM 0 H1 GLY A -3 2.840 3.539 4.709 1.00 0.00 H new ATOM 0 H2 GLY A -3 3.133 2.670 3.280 1.00 0.00 H new ATOM 0 H3 GLY A -3 1.803 3.721 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.980 1.572 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A -3 0.564 2.322 4.626 1.00 0.00 H new ATOM 10 N HIS A -2 0.290 0.294 3.174 1.00 0.00 N ATOM 11 CA HIS A -2 0.029 -0.856 2.309 1.00 0.00 C ATOM 12 C HIS A -2 -1.245 -0.685 1.470 1.00 0.00 C ATOM 13 O HIS A -2 -1.472 -1.469 0.552 1.00 0.00 O ATOM 14 CB HIS A -2 -0.059 -2.132 3.162 1.00 0.00 C ATOM 15 CG HIS A -2 -1.285 -2.204 4.044 1.00 0.00 C ATOM 16 ND1 HIS A -2 -1.548 -1.439 5.160 1.00 0.00 N ATOM 17 CD2 HIS A -2 -2.372 -3.016 3.853 1.00 0.00 C ATOM 18 CE1 HIS A -2 -2.765 -1.774 5.613 1.00 0.00 C ATOM 19 NE2 HIS A -2 -3.308 -2.740 4.854 1.00 0.00 N ATOM 0 H HIS A -2 -0.555 0.652 3.619 1.00 0.00 H new ATOM 0 HA HIS A -2 0.859 -0.935 1.607 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -0.049 -2.999 2.501 1.00 0.00 H new ATOM 0 HB3 HIS A -2 0.830 -2.199 3.789 1.00 0.00 H new ATOM 0 HD1 HIS A -2 -0.927 -0.741 5.569 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -2.486 -3.745 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A -2 -3.244 -1.327 6.472 1.00 0.00 H new ATOM 27 N MET A -1 -2.060 0.342 1.746 1.00 0.00 N ATOM 28 CA MET A -1 -3.276 0.668 0.999 1.00 0.00 C ATOM 29 C MET A -1 -3.260 2.147 0.556 1.00 0.00 C ATOM 30 O MET A -1 -4.235 2.653 0.008 1.00 0.00 O ATOM 31 CB MET A -1 -4.479 0.291 1.880 1.00 0.00 C ATOM 32 CG MET A -1 -5.829 0.292 1.155 1.00 0.00 C ATOM 33 SD MET A -1 -7.231 -0.174 2.209 1.00 0.00 S ATOM 34 CE MET A -1 -8.552 -0.099 0.973 1.00 0.00 C ATOM 0 H MET A -1 -1.884 0.985 2.518 1.00 0.00 H new ATOM 0 HA MET A -1 -3.344 0.098 0.073 1.00 0.00 H new ATOM 0 HB2 MET A -1 -4.308 -0.700 2.300 1.00 0.00 H new ATOM 0 HB3 MET A -1 -4.531 0.987 2.717 1.00 0.00 H new ATOM 0 HG2 MET A -1 -6.010 1.286 0.746 1.00 0.00 H new ATOM 0 HG3 MET A -1 -5.777 -0.396 0.311 1.00 0.00 H new ATOM 0 HE1 MET A -1 -9.502 -0.358 1.440 1.00 0.00 H new ATOM 0 HE2 MET A -1 -8.611 0.910 0.565 1.00 0.00 H new ATOM 0 HE3 MET A -1 -8.339 -0.804 0.169 1.00 0.00 H new ATOM 44 N PHE A 679 -2.143 2.839 0.763 1.00 0.00 N ATOM 45 CA PHE A 679 -1.867 4.219 0.382 1.00 0.00 C ATOM 46 C PHE A 679 -0.354 4.287 0.064 1.00 0.00 C ATOM 47 O PHE A 679 0.314 3.254 0.202 1.00 0.00 O ATOM 48 CB PHE A 679 -2.266 5.136 1.557 1.00 0.00 C ATOM 49 CG PHE A 679 -3.672 5.706 1.485 1.00 0.00 C ATOM 50 CD1 PHE A 679 -4.766 5.023 2.052 1.00 0.00 C ATOM 51 CD2 PHE A 679 -3.881 6.957 0.878 1.00 0.00 C ATOM 52 CE1 PHE A 679 -6.058 5.577 1.998 1.00 0.00 C ATOM 53 CE2 PHE A 679 -5.174 7.489 0.791 1.00 0.00 C ATOM 54 CZ PHE A 679 -6.263 6.800 1.341 1.00 0.00 C ATOM 0 H PHE A 679 -1.346 2.415 1.239 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.432 4.548 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.166 4.574 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.558 5.963 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -4.612 4.068 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -3.043 7.509 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -6.888 5.064 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -5.332 8.436 0.297 1.00 0.00 H new ATOM 0 HZ PHE A 679 -7.259 7.210 1.259 1.00 0.00 H new ATOM 64 N PRO A 680 0.203 5.438 -0.379 1.00 0.00 N ATOM 65 CA PRO A 680 1.649 5.654 -0.497 1.00 0.00 C ATOM 66 C PRO A 680 2.514 5.088 0.643 1.00 0.00 C ATOM 67 O PRO A 680 2.039 4.785 1.738 1.00 0.00 O ATOM 68 CB PRO A 680 1.819 7.168 -0.621 1.00 0.00 C ATOM 69 CG PRO A 680 0.575 7.586 -1.396 1.00 0.00 C ATOM 70 CD PRO A 680 -0.499 6.600 -0.931 1.00 0.00 C ATOM 0 HA PRO A 680 2.014 5.099 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.868 7.651 0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 680 2.734 7.430 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 680 0.294 8.616 -1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 680 0.735 7.523 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.143 7.056 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -1.139 6.306 -1.762 1.00 0.00 H new ATOM 78 N SER A 681 3.819 4.974 0.375 1.00 0.00 N ATOM 79 CA SER A 681 4.798 4.275 1.196 1.00 0.00 C ATOM 80 C SER A 681 4.778 4.640 2.686 1.00 0.00 C ATOM 81 O SER A 681 5.059 3.773 3.514 1.00 0.00 O ATOM 82 CB SER A 681 6.192 4.508 0.605 1.00 0.00 C ATOM 83 OG SER A 681 6.169 4.377 -0.810 1.00 0.00 O ATOM 0 H SER A 681 4.235 5.387 -0.460 1.00 0.00 H new ATOM 0 HA SER A 681 4.525 3.220 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 681 6.545 5.503 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 681 6.896 3.792 1.030 1.00 0.00 H new ATOM 0 HG SER A 681 7.068 4.531 -1.167 1.00 0.00 H new ATOM 89 N ASP A 682 4.398 5.864 3.042 1.00 0.00 N ATOM 90 CA ASP A 682 4.277 6.352 4.410 1.00 0.00 C ATOM 91 C ASP A 682 2.861 6.103 4.955 1.00 0.00 C ATOM 92 O ASP A 682 2.683 5.223 5.799 1.00 0.00 O ATOM 93 CB ASP A 682 4.696 7.837 4.465 1.00 0.00 C ATOM 94 CG ASP A 682 3.822 8.764 3.611 1.00 0.00 C ATOM 95 OD1 ASP A 682 3.580 8.415 2.429 1.00 0.00 O ATOM 96 OD2 ASP A 682 3.336 9.768 4.163 1.00 0.00 O ATOM 0 H ASP A 682 4.155 6.574 2.352 1.00 0.00 H new ATOM 0 HA ASP A 682 4.952 5.798 5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 682 4.662 8.175 5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.731 7.924 4.135 1.00 0.00 H new ATOM 101 N ILE A 683 1.845 6.791 4.435 1.00 0.00 N ATOM 102 CA ILE A 683 0.471 6.816 4.949 1.00 0.00 C ATOM 103 C ILE A 683 -0.246 5.462 4.819 1.00 0.00 C ATOM 104 O ILE A 683 0.129 4.601 4.028 1.00 0.00 O ATOM 105 CB ILE A 683 -0.356 7.939 4.261 1.00 0.00 C ATOM 106 CG1 ILE A 683 0.013 8.151 2.779 1.00 0.00 C ATOM 107 CG2 ILE A 683 -0.243 9.276 5.002 1.00 0.00 C ATOM 108 CD1 ILE A 683 -0.998 9.017 2.025 1.00 0.00 C ATOM 0 H ILE A 683 1.960 7.374 3.606 1.00 0.00 H new ATOM 0 HA ILE A 683 0.546 7.029 6.015 1.00 0.00 H new ATOM 0 HB ILE A 683 -1.387 7.588 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 683 0.997 8.617 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 683 0.089 7.181 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -0.837 10.030 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -0.612 9.160 6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 683 0.800 9.591 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -0.680 9.128 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -1.978 8.542 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -1.056 9.999 2.493 1.00 0.00 H new ATOM 120 N ASP A 684 -1.331 5.285 5.572 1.00 0.00 N ATOM 121 CA ASP A 684 -2.280 4.171 5.452 1.00 0.00 C ATOM 122 C ASP A 684 -3.677 4.755 5.666 1.00 0.00 C ATOM 123 O ASP A 684 -3.761 5.895 6.128 1.00 0.00 O ATOM 124 CB ASP A 684 -1.924 3.001 6.392 1.00 0.00 C ATOM 125 CG ASP A 684 -1.461 1.763 5.612 1.00 0.00 C ATOM 126 OD1 ASP A 684 -1.861 1.565 4.442 1.00 0.00 O ATOM 127 OD2 ASP A 684 -0.616 1.000 6.126 1.00 0.00 O ATOM 0 H ASP A 684 -1.586 5.938 6.313 1.00 0.00 H new ATOM 0 HA ASP A 684 -2.237 3.716 4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -1.137 3.313 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -2.793 2.745 6.998 1.00 0.00 H new ATOM 132 N PRO A 685 -4.785 4.051 5.352 1.00 0.00 N ATOM 133 CA PRO A 685 -6.111 4.652 5.317 1.00 0.00 C ATOM 134 C PRO A 685 -6.514 5.302 6.613 1.00 0.00 C ATOM 135 O PRO A 685 -7.214 6.307 6.570 1.00 0.00 O ATOM 136 CB PRO A 685 -7.109 3.538 4.973 1.00 0.00 C ATOM 137 CG PRO A 685 -6.238 2.407 4.453 1.00 0.00 C ATOM 138 CD PRO A 685 -4.924 2.621 5.194 1.00 0.00 C ATOM 0 HA PRO A 685 -6.103 5.448 4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -7.681 3.231 5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -7.828 3.865 4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -6.671 1.431 4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -6.106 2.463 3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.936 2.121 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -4.087 2.207 4.632 1.00 0.00 H new ATOM 146 N GLN A 686 -6.092 4.729 7.740 1.00 0.00 N ATOM 147 CA GLN A 686 -6.481 5.303 9.005 1.00 0.00 C ATOM 148 C GLN A 686 -5.877 6.709 9.085 1.00 0.00 C ATOM 149 O GLN A 686 -6.598 7.700 9.130 1.00 0.00 O ATOM 150 CB GLN A 686 -6.050 4.409 10.172 1.00 0.00 C ATOM 151 CG GLN A 686 -6.881 4.749 11.413 1.00 0.00 C ATOM 152 CD GLN A 686 -6.169 4.303 12.687 1.00 0.00 C ATOM 153 OE1 GLN A 686 -6.354 3.183 13.151 1.00 0.00 O ATOM 154 NE2 GLN A 686 -5.318 5.145 13.239 1.00 0.00 N ATOM 0 H GLN A 686 -5.503 3.898 7.794 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.566 5.376 9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -6.184 3.360 9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -4.990 4.552 10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -7.062 5.823 11.451 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -7.855 4.263 11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -5.182 6.071 12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -4.796 4.870 14.071 1.00 0.00 H new ATOM 163 N VAL A 687 -4.557 6.772 8.924 1.00 0.00 N ATOM 164 CA VAL A 687 -3.767 7.984 9.099 1.00 0.00 C ATOM 165 C VAL A 687 -4.148 8.998 8.024 1.00 0.00 C ATOM 166 O VAL A 687 -4.164 10.198 8.286 1.00 0.00 O ATOM 167 CB VAL A 687 -2.260 7.636 9.074 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.399 8.837 9.487 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.923 6.457 10.010 1.00 0.00 C ATOM 0 H VAL A 687 -3.996 5.961 8.662 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.977 8.436 10.068 1.00 0.00 H new ATOM 0 HB VAL A 687 -2.035 7.355 8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.346 8.557 9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.573 9.664 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -1.665 9.145 10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.855 6.247 9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -2.195 6.716 11.033 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.481 5.574 9.698 1.00 0.00 H new ATOM 179 N PHE A 688 -4.478 8.535 6.815 1.00 0.00 N ATOM 180 CA PHE A 688 -4.865 9.409 5.730 1.00 0.00 C ATOM 181 C PHE A 688 -6.235 10.027 5.973 1.00 0.00 C ATOM 182 O PHE A 688 -6.422 11.203 5.687 1.00 0.00 O ATOM 183 CB PHE A 688 -4.881 8.652 4.406 1.00 0.00 C ATOM 184 CG PHE A 688 -5.200 9.597 3.274 1.00 0.00 C ATOM 185 CD1 PHE A 688 -4.231 10.526 2.859 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.492 9.634 2.714 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.537 11.453 1.853 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.785 10.535 1.680 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.799 11.432 1.241 1.00 0.00 C ATOM 0 H PHE A 688 -4.481 7.544 6.572 1.00 0.00 H new ATOM 0 HA PHE A 688 -4.126 10.208 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.913 8.181 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -5.622 7.853 4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -3.252 10.526 3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -7.258 8.967 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.801 12.183 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.764 10.539 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 688 -6.013 12.110 0.428 1.00 0.00 H new ATOM 199 N TYR A 689 -7.212 9.269 6.469 1.00 0.00 N ATOM 200 CA TYR A 689 -8.544 9.806 6.704 1.00 0.00 C ATOM 201 C TYR A 689 -8.611 10.544 8.050 1.00 0.00 C ATOM 202 O TYR A 689 -9.550 11.304 8.270 1.00 0.00 O ATOM 203 CB TYR A 689 -9.586 8.700 6.512 1.00 0.00 C ATOM 204 CG TYR A 689 -9.702 8.139 5.094 1.00 0.00 C ATOM 205 CD1 TYR A 689 -9.869 8.999 3.991 1.00 0.00 C ATOM 206 CD2 TYR A 689 -9.667 6.747 4.878 1.00 0.00 C ATOM 207 CE1 TYR A 689 -9.937 8.483 2.683 1.00 0.00 C ATOM 208 CE2 TYR A 689 -9.729 6.218 3.573 1.00 0.00 C ATOM 209 CZ TYR A 689 -9.846 7.090 2.466 1.00 0.00 C ATOM 210 OH TYR A 689 -9.859 6.606 1.192 1.00 0.00 O ATOM 0 H TYR A 689 -7.103 8.285 6.714 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.784 10.571 5.966 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -9.348 7.880 7.189 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.560 9.088 6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -9.946 10.064 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -9.592 6.078 5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -10.059 9.153 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -9.687 5.150 3.419 1.00 0.00 H new ATOM 0 HH TYR A 689 -9.788 5.629 1.213 1.00 0.00 H new ATOM 220 N GLU A 690 -7.614 10.376 8.928 1.00 0.00 N ATOM 221 CA GLU A 690 -7.425 11.192 10.132 1.00 0.00 C ATOM 222 C GLU A 690 -6.950 12.607 9.740 1.00 0.00 C ATOM 223 O GLU A 690 -7.049 13.543 10.537 1.00 0.00 O ATOM 224 CB GLU A 690 -6.411 10.512 11.082 1.00 0.00 C ATOM 225 CG GLU A 690 -6.999 9.333 11.883 1.00 0.00 C ATOM 226 CD GLU A 690 -5.924 8.500 12.609 1.00 0.00 C ATOM 227 OE1 GLU A 690 -5.296 7.616 11.975 1.00 0.00 O ATOM 228 OE2 GLU A 690 -5.761 8.686 13.832 1.00 0.00 O ATOM 0 H GLU A 690 -6.902 9.654 8.818 1.00 0.00 H new ATOM 0 HA GLU A 690 -8.376 11.282 10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -5.564 10.154 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -6.026 11.256 11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -7.709 9.717 12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -7.558 8.685 11.207 1.00 0.00 H new ATOM 235 N LEU A 691 -6.450 12.793 8.506 1.00 0.00 N ATOM 236 CA LEU A 691 -6.078 14.106 7.985 1.00 0.00 C ATOM 237 C LEU A 691 -7.332 14.974 7.823 1.00 0.00 C ATOM 238 O LEU A 691 -8.410 14.443 7.542 1.00 0.00 O ATOM 239 CB LEU A 691 -5.357 14.002 6.628 1.00 0.00 C ATOM 240 CG LEU A 691 -4.056 13.176 6.626 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.396 13.231 5.245 1.00 0.00 C ATOM 242 CD2 LEU A 691 -3.043 13.615 7.692 1.00 0.00 C ATOM 0 H LEU A 691 -6.295 12.031 7.846 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.392 14.560 8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.045 13.565 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.127 15.009 6.281 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.350 12.155 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.478 12.644 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.078 12.823 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.162 14.266 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.154 12.988 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -2.766 14.656 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.489 13.514 8.681 1.00 0.00 H new ATOM 254 N PRO A 692 -7.212 16.314 7.906 1.00 0.00 N ATOM 255 CA PRO A 692 -8.328 17.224 7.701 1.00 0.00 C ATOM 256 C PRO A 692 -8.980 16.964 6.344 1.00 0.00 C ATOM 257 O PRO A 692 -8.281 16.657 5.375 1.00 0.00 O ATOM 258 CB PRO A 692 -7.752 18.644 7.767 1.00 0.00 C ATOM 259 CG PRO A 692 -6.394 18.465 8.444 1.00 0.00 C ATOM 260 CD PRO A 692 -5.978 17.066 8.005 1.00 0.00 C ATOM 0 HA PRO A 692 -9.099 17.084 8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -7.647 19.078 6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -8.398 19.310 8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -5.678 19.220 8.120 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -6.470 18.543 9.529 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -5.456 17.093 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.298 16.613 8.727 1.00 0.00 H new ATOM 268 N GLU A 693 -10.298 17.166 6.271 1.00 0.00 N ATOM 269 CA GLU A 693 -11.118 16.825 5.110 1.00 0.00 C ATOM 270 C GLU A 693 -10.496 17.290 3.804 1.00 0.00 C ATOM 271 O GLU A 693 -10.311 16.491 2.885 1.00 0.00 O ATOM 272 CB GLU A 693 -12.536 17.400 5.329 1.00 0.00 C ATOM 273 CG GLU A 693 -13.554 17.144 4.199 1.00 0.00 C ATOM 274 CD GLU A 693 -13.878 15.663 3.979 1.00 0.00 C ATOM 275 OE1 GLU A 693 -13.253 14.794 4.618 1.00 0.00 O ATOM 276 OE2 GLU A 693 -14.598 15.347 3.008 1.00 0.00 O ATOM 0 H GLU A 693 -10.834 17.580 7.034 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.181 15.741 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -12.937 16.982 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -12.451 18.477 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -14.477 17.678 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -13.165 17.562 3.271 1.00 0.00 H new ATOM 283 N ALA A 694 -10.112 18.565 3.755 1.00 0.00 N ATOM 284 CA ALA A 694 -9.551 19.159 2.563 1.00 0.00 C ATOM 285 C ALA A 694 -8.233 18.512 2.160 1.00 0.00 C ATOM 286 O ALA A 694 -8.023 18.226 0.988 1.00 0.00 O ATOM 287 CB ALA A 694 -9.406 20.665 2.790 1.00 0.00 C ATOM 0 H ALA A 694 -10.185 19.207 4.545 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.227 18.984 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -8.983 21.128 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -10.385 21.098 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -8.746 20.843 3.639 1.00 0.00 H new ATOM 293 N VAL A 695 -7.375 18.166 3.125 1.00 0.00 N ATOM 294 CA VAL A 695 -6.118 17.517 2.795 1.00 0.00 C ATOM 295 C VAL A 695 -6.398 16.185 2.097 1.00 0.00 C ATOM 296 O VAL A 695 -5.698 15.837 1.148 1.00 0.00 O ATOM 297 CB VAL A 695 -5.214 17.350 4.030 1.00 0.00 C ATOM 298 CG1 VAL A 695 -3.880 16.675 3.664 1.00 0.00 C ATOM 299 CG2 VAL A 695 -4.917 18.713 4.682 1.00 0.00 C ATOM 0 H VAL A 695 -7.530 18.324 4.121 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.564 18.156 2.107 1.00 0.00 H new ATOM 0 HB VAL A 695 -5.753 16.716 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.266 16.573 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.075 15.689 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.353 17.285 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.277 18.568 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.412 19.358 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -5.852 19.179 4.993 1.00 0.00 H new ATOM 309 N GLN A 696 -7.430 15.451 2.526 1.00 0.00 N ATOM 310 CA GLN A 696 -7.766 14.189 1.891 1.00 0.00 C ATOM 311 C GLN A 696 -8.191 14.417 0.440 1.00 0.00 C ATOM 312 O GLN A 696 -7.759 13.694 -0.458 1.00 0.00 O ATOM 313 CB GLN A 696 -8.927 13.496 2.604 1.00 0.00 C ATOM 314 CG GLN A 696 -8.763 13.209 4.098 1.00 0.00 C ATOM 315 CD GLN A 696 -10.123 12.831 4.683 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.999 12.341 3.969 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.345 13.083 5.956 1.00 0.00 N ATOM 0 H GLN A 696 -8.037 15.712 3.303 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.874 13.564 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.818 14.111 2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -9.117 12.550 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -8.049 12.399 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.364 14.086 4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.607 13.489 6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.255 12.872 6.367 1.00 0.00 H new ATOM 326 N LYS A 697 -9.089 15.385 0.226 1.00 0.00 N ATOM 327 CA LYS A 697 -9.637 15.660 -1.100 1.00 0.00 C ATOM 328 C LYS A 697 -8.502 16.075 -2.043 1.00 0.00 C ATOM 329 O LYS A 697 -8.367 15.505 -3.128 1.00 0.00 O ATOM 330 CB LYS A 697 -10.722 16.747 -1.035 1.00 0.00 C ATOM 331 CG LYS A 697 -12.162 16.240 -0.827 1.00 0.00 C ATOM 332 CD LYS A 697 -12.523 15.686 0.557 1.00 0.00 C ATOM 333 CE LYS A 697 -12.104 14.230 0.837 1.00 0.00 C ATOM 334 NZ LYS A 697 -12.541 13.785 2.181 1.00 0.00 N ATOM 0 H LYS A 697 -9.451 15.992 0.961 1.00 0.00 H new ATOM 0 HA LYS A 697 -10.107 14.754 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.476 17.432 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.689 17.323 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.843 17.061 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -12.354 15.459 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -12.066 16.325 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -13.603 15.763 0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -12.534 13.575 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -11.020 14.141 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.242 12.801 2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -12.111 14.395 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -13.577 13.846 2.247 1.00 0.00 H new ATOM 348 N GLU A 698 -7.662 17.005 -1.603 1.00 0.00 N ATOM 349 CA GLU A 698 -6.629 17.591 -2.441 1.00 0.00 C ATOM 350 C GLU A 698 -5.544 16.562 -2.743 1.00 0.00 C ATOM 351 O GLU A 698 -5.058 16.517 -3.866 1.00 0.00 O ATOM 352 CB GLU A 698 -6.047 18.845 -1.767 1.00 0.00 C ATOM 353 CG GLU A 698 -6.848 20.122 -2.082 1.00 0.00 C ATOM 354 CD GLU A 698 -8.269 20.160 -1.497 1.00 0.00 C ATOM 355 OE1 GLU A 698 -9.161 19.467 -2.035 1.00 0.00 O ATOM 356 OE2 GLU A 698 -8.461 20.911 -0.517 1.00 0.00 O ATOM 0 H GLU A 698 -7.680 17.373 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 698 -7.069 17.896 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.024 18.694 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -5.015 18.980 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -6.294 20.982 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -6.914 20.233 -3.164 1.00 0.00 H new ATOM 363 N LEU A 699 -5.195 15.694 -1.788 1.00 0.00 N ATOM 364 CA LEU A 699 -4.235 14.612 -2.017 1.00 0.00 C ATOM 365 C LEU A 699 -4.798 13.613 -3.020 1.00 0.00 C ATOM 366 O LEU A 699 -4.071 13.198 -3.920 1.00 0.00 O ATOM 367 CB LEU A 699 -3.901 13.910 -0.691 1.00 0.00 C ATOM 368 CG LEU A 699 -2.818 14.549 0.213 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.488 13.803 0.064 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.582 16.052 -0.001 1.00 0.00 C ATOM 0 H LEU A 699 -5.569 15.722 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.318 15.036 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.821 13.836 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.587 12.892 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 699 -3.215 14.452 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.738 14.265 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.621 12.761 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.158 13.852 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.805 16.399 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.267 16.228 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.506 16.597 0.194 1.00 0.00 H new ATOM 382 N LEU A 700 -6.081 13.249 -2.916 1.00 0.00 N ATOM 383 CA LEU A 700 -6.699 12.365 -3.900 1.00 0.00 C ATOM 384 C LEU A 700 -6.666 12.998 -5.292 1.00 0.00 C ATOM 385 O LEU A 700 -6.386 12.297 -6.265 1.00 0.00 O ATOM 386 CB LEU A 700 -8.135 12.005 -3.488 1.00 0.00 C ATOM 387 CG LEU A 700 -8.208 10.956 -2.364 1.00 0.00 C ATOM 388 CD1 LEU A 700 -9.617 10.934 -1.760 1.00 0.00 C ATOM 389 CD2 LEU A 700 -7.866 9.543 -2.870 1.00 0.00 C ATOM 0 H LEU A 700 -6.703 13.551 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 700 -6.123 11.441 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.649 12.910 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.671 11.629 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 700 -7.473 11.240 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -9.661 10.189 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -9.853 11.916 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.341 10.681 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -7.930 8.835 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.571 9.255 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -6.854 9.537 -3.275 1.00 0.00 H new ATOM 401 N ALA A 701 -6.921 14.305 -5.406 1.00 0.00 N ATOM 402 CA ALA A 701 -6.890 15.010 -6.679 1.00 0.00 C ATOM 403 C ALA A 701 -5.461 15.176 -7.206 1.00 0.00 C ATOM 404 O ALA A 701 -5.254 15.052 -8.411 1.00 0.00 O ATOM 405 CB ALA A 701 -7.558 16.383 -6.513 1.00 0.00 C ATOM 0 H ALA A 701 -7.155 14.901 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.436 14.416 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -7.537 16.915 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.592 16.249 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -7.020 16.961 -5.762 1.00 0.00 H new ATOM 411 N GLU A 702 -4.483 15.436 -6.341 1.00 0.00 N ATOM 412 CA GLU A 702 -3.085 15.634 -6.711 1.00 0.00 C ATOM 413 C GLU A 702 -2.477 14.318 -7.186 1.00 0.00 C ATOM 414 O GLU A 702 -1.782 14.278 -8.206 1.00 0.00 O ATOM 415 CB GLU A 702 -2.327 16.213 -5.501 1.00 0.00 C ATOM 416 CG GLU A 702 -0.805 16.330 -5.680 1.00 0.00 C ATOM 417 CD GLU A 702 -0.341 17.223 -6.837 1.00 0.00 C ATOM 418 OE1 GLU A 702 -1.157 17.879 -7.524 1.00 0.00 O ATOM 419 OE2 GLU A 702 0.881 17.229 -7.099 1.00 0.00 O ATOM 0 H GLU A 702 -4.646 15.517 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 702 -3.009 16.341 -7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.728 17.202 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -2.528 15.586 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 702 -0.377 16.714 -4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 702 -0.397 15.330 -5.830 1.00 0.00 H new ATOM 426 N TRP A 703 -2.778 13.207 -6.511 1.00 0.00 N ATOM 427 CA TRP A 703 -2.409 11.899 -7.021 1.00 0.00 C ATOM 428 C TRP A 703 -3.099 11.674 -8.364 1.00 0.00 C ATOM 429 O TRP A 703 -2.409 11.343 -9.323 1.00 0.00 O ATOM 430 CB TRP A 703 -2.704 10.815 -5.981 1.00 0.00 C ATOM 431 CG TRP A 703 -1.962 10.941 -4.692 1.00 0.00 C ATOM 432 CD1 TRP A 703 -0.714 11.422 -4.493 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.471 10.603 -3.380 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.411 11.372 -3.147 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.458 10.857 -2.414 1.00 0.00 C ATOM 436 CE3 TRP A 703 -3.714 10.138 -2.926 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.657 10.595 -1.051 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -3.951 9.945 -1.562 1.00 0.00 C ATOM 439 CH2 TRP A 703 -2.914 10.134 -0.630 1.00 0.00 C ATOM 0 H TRP A 703 -3.272 13.193 -5.619 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.335 11.845 -7.201 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -3.773 10.823 -5.767 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -2.474 9.844 -6.419 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.056 11.789 -5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.476 11.678 -2.746 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.497 9.927 -3.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.859 10.745 -0.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -4.933 9.650 -1.223 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -3.086 9.923 0.415 1.00 0.00 H new ATOM 450 N LYS A 704 -4.396 11.981 -8.499 1.00 0.00 N ATOM 451 CA LYS A 704 -5.094 11.856 -9.781 1.00 0.00 C ATOM 452 C LYS A 704 -4.493 12.746 -10.880 1.00 0.00 C ATOM 453 O LYS A 704 -4.642 12.422 -12.059 1.00 0.00 O ATOM 454 CB LYS A 704 -6.600 12.118 -9.597 1.00 0.00 C ATOM 455 CG LYS A 704 -7.477 11.622 -10.761 1.00 0.00 C ATOM 456 CD LYS A 704 -7.491 10.086 -10.895 1.00 0.00 C ATOM 457 CE LYS A 704 -7.018 9.565 -12.263 1.00 0.00 C ATOM 458 NZ LYS A 704 -5.594 9.855 -12.517 1.00 0.00 N ATOM 0 H LYS A 704 -4.981 12.318 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 704 -4.958 10.830 -10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -6.931 11.636 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -6.758 13.189 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.497 11.978 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -7.116 12.059 -11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -6.857 9.660 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -8.504 9.726 -10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -7.181 8.488 -12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -7.623 10.017 -13.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -5.295 9.383 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -5.461 10.882 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -5.021 9.505 -11.723 1.00 0.00 H new ATOM 472 N ARG A 705 -3.813 13.839 -10.532 1.00 0.00 N ATOM 473 CA ARG A 705 -3.108 14.710 -11.478 1.00 0.00 C ATOM 474 C ARG A 705 -1.826 14.063 -12.015 1.00 0.00 C ATOM 475 O ARG A 705 -1.234 14.608 -12.948 1.00 0.00 O ATOM 476 CB ARG A 705 -2.714 15.999 -10.736 1.00 0.00 C ATOM 477 CG ARG A 705 -2.485 17.217 -11.654 1.00 0.00 C ATOM 478 CD ARG A 705 -1.713 18.364 -10.974 1.00 0.00 C ATOM 479 NE ARG A 705 -0.521 17.931 -10.212 1.00 0.00 N ATOM 480 CZ ARG A 705 0.480 17.130 -10.598 1.00 0.00 C ATOM 481 NH1 ARG A 705 0.617 16.727 -11.862 1.00 0.00 N ATOM 482 NH2 ARG A 705 1.343 16.690 -9.700 1.00 0.00 N ATOM 0 H ARG A 705 -3.734 14.152 -9.564 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.771 14.903 -12.321 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -3.496 16.243 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -1.804 15.812 -10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -1.937 16.896 -12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -3.450 17.591 -11.995 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -1.402 19.078 -11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -2.388 18.891 -10.300 1.00 0.00 H new ATOM 0 HE ARG A 705 -0.452 18.293 -9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -0.053 17.029 -12.569 1.00 0.00 H new ATOM 0 HH12 ARG A 705 1.392 16.117 -12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 705 1.244 16.961 -8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 705 2.109 16.079 -9.985 1.00 0.00 H new ATOM 496 N THR A 706 -1.369 12.956 -11.427 1.00 0.00 N ATOM 497 CA THR A 706 -0.049 12.403 -11.694 1.00 0.00 C ATOM 498 C THR A 706 -0.048 10.878 -11.890 1.00 0.00 C ATOM 499 O THR A 706 0.929 10.343 -12.413 1.00 0.00 O ATOM 500 CB THR A 706 0.904 12.839 -10.556 1.00 0.00 C ATOM 501 OG1 THR A 706 0.476 13.992 -9.842 1.00 0.00 O ATOM 502 CG2 THR A 706 2.246 13.283 -11.126 1.00 0.00 C ATOM 0 H THR A 706 -1.910 12.419 -10.750 1.00 0.00 H new ATOM 0 HA THR A 706 0.300 12.801 -12.647 1.00 0.00 H new ATOM 0 HB THR A 706 0.943 11.964 -9.908 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.315 13.771 -9.308 1.00 0.00 H new ATOM 0 HG21 THR A 706 2.905 13.586 -10.312 1.00 0.00 H new ATOM 0 HG22 THR A 706 2.701 12.456 -11.672 1.00 0.00 H new ATOM 0 HG23 THR A 706 2.094 14.124 -11.802 1.00 0.00 H new ATOM 510 N GLY A 707 -1.133 10.190 -11.540 1.00 0.00 N ATOM 511 CA GLY A 707 -1.392 8.797 -11.830 1.00 0.00 C ATOM 512 C GLY A 707 -2.893 8.688 -11.921 1.00 0.00 C ATOM 513 O GLY A 707 -3.404 8.487 -13.039 1.00 0.00 O ATOM 514 OXT GLY A 707 -3.582 8.989 -10.920 1.00 0.00 O ATOM 0 H GLY A 707 -1.894 10.623 -11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -0.917 8.494 -12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -0.996 8.151 -11.046 1.00 0.00 H new TER 518 GLY A 707