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 -3 GLY N :NH3+ 158:sc= -0.729 (180deg=-1.27!) USER MOD Set 1.2: A 706 THR OG1 : rot -93:sc= 1.48 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.891 X(o=-0.89,f=-0.85) USER MOD Single : A 681 SER OG : rot 82:sc= 0.946 USER MOD Single : A 686 GLN : amide:sc= 0.8 K(o=0.8,f=-0.28) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 696 GLN : amide:sc= 1.13 K(o=1.1,f=-0.76) USER MOD Single : A 697 LYS NZ :NH3+ -148:sc= 0.235 (180deg=-1.07!) USER MOD Single : A 704 LYS NZ :NH3+ -159:sc= 2.09 (180deg=0.764!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -1.166 8.513 -9.767 1.00 0.00 N ATOM 2 CA GLY A -3 -0.284 7.730 -8.904 1.00 0.00 C ATOM 3 C GLY A -3 -0.961 6.419 -8.577 1.00 0.00 C ATOM 4 O GLY A -3 -1.230 5.633 -9.481 1.00 0.00 O ATOM 0 H1 GLY A -3 -0.912 9.519 -9.701 1.00 0.00 H new ATOM 0 H2 GLY A -3 -1.062 8.194 -10.751 1.00 0.00 H new ATOM 0 H3 GLY A -3 -2.152 8.384 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A -3 0.668 7.549 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -0.065 8.280 -7.989 1.00 0.00 H new ATOM 10 N HIS A -2 -1.270 6.188 -7.302 1.00 0.00 N ATOM 11 CA HIS A -2 -2.089 5.082 -6.832 1.00 0.00 C ATOM 12 C HIS A -2 -2.861 5.599 -5.611 1.00 0.00 C ATOM 13 O HIS A -2 -2.544 6.688 -5.128 1.00 0.00 O ATOM 14 CB HIS A -2 -1.206 3.864 -6.509 1.00 0.00 C ATOM 15 CG HIS A -2 -2.024 2.674 -6.082 1.00 0.00 C ATOM 16 ND1 HIS A -2 -2.930 1.995 -6.864 1.00 0.00 N ATOM 17 CD2 HIS A -2 -2.148 2.201 -4.802 1.00 0.00 C ATOM 18 CE1 HIS A -2 -3.590 1.133 -6.070 1.00 0.00 C ATOM 19 NE2 HIS A -2 -3.170 1.248 -4.802 1.00 0.00 N ATOM 0 H HIS A -2 -0.944 6.789 -6.545 1.00 0.00 H new ATOM 0 HA HIS A -2 -2.794 4.742 -7.591 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -0.614 3.602 -7.386 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -0.504 4.125 -5.717 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -1.562 2.509 -3.948 1.00 0.00 H new ATOM 0 HE1 HIS A -2 -4.351 0.445 -6.407 1.00 0.00 H new ATOM 0 HE2 HIS A -2 -3.527 0.739 -3.994 1.00 0.00 H new ATOM 27 N MET A -1 -3.856 4.848 -5.119 1.00 0.00 N ATOM 28 CA MET A -1 -4.779 5.294 -4.066 1.00 0.00 C ATOM 29 C MET A -1 -4.058 5.742 -2.784 1.00 0.00 C ATOM 30 O MET A -1 -4.615 6.514 -2.009 1.00 0.00 O ATOM 31 CB MET A -1 -5.812 4.188 -3.787 1.00 0.00 C ATOM 32 CG MET A -1 -7.041 4.711 -3.029 1.00 0.00 C ATOM 33 SD MET A -1 -8.025 5.926 -3.951 1.00 0.00 S ATOM 34 CE MET A -1 -9.080 6.542 -2.615 1.00 0.00 C ATOM 0 H MET A -1 -4.045 3.900 -5.446 1.00 0.00 H new ATOM 0 HA MET A -1 -5.296 6.182 -4.429 1.00 0.00 H new ATOM 0 HB2 MET A -1 -6.132 3.747 -4.731 1.00 0.00 H new ATOM 0 HB3 MET A -1 -5.342 3.394 -3.207 1.00 0.00 H new ATOM 0 HG2 MET A -1 -7.679 3.867 -2.768 1.00 0.00 H new ATOM 0 HG3 MET A -1 -6.711 5.162 -2.093 1.00 0.00 H new ATOM 0 HE1 MET A -1 -9.755 7.304 -3.006 1.00 0.00 H new ATOM 0 HE2 MET A -1 -9.663 5.718 -2.202 1.00 0.00 H new ATOM 0 HE3 MET A -1 -8.459 6.975 -1.831 1.00 0.00 H new ATOM 44 N PHE A 679 -2.829 5.269 -2.573 1.00 0.00 N ATOM 45 CA PHE A 679 -1.918 5.751 -1.554 1.00 0.00 C ATOM 46 C PHE A 679 -0.504 5.611 -2.127 1.00 0.00 C ATOM 47 O PHE A 679 -0.299 4.744 -2.985 1.00 0.00 O ATOM 48 CB PHE A 679 -2.082 4.984 -0.223 1.00 0.00 C ATOM 49 CG PHE A 679 -3.186 5.504 0.684 1.00 0.00 C ATOM 50 CD1 PHE A 679 -3.322 6.890 0.864 1.00 0.00 C ATOM 51 CD2 PHE A 679 -4.053 4.635 1.384 1.00 0.00 C ATOM 52 CE1 PHE A 679 -4.321 7.410 1.689 1.00 0.00 C ATOM 53 CE2 PHE A 679 -5.054 5.162 2.232 1.00 0.00 C ATOM 54 CZ PHE A 679 -5.187 6.549 2.379 1.00 0.00 C ATOM 0 H PHE A 679 -2.434 4.512 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.131 6.792 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.279 3.936 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.138 5.022 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -2.645 7.562 0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -3.951 3.566 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -4.427 8.479 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -5.716 4.496 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 679 -5.954 6.954 3.022 1.00 0.00 H new ATOM 64 N PRO A 680 0.471 6.435 -1.693 1.00 0.00 N ATOM 65 CA PRO A 680 1.854 6.334 -2.150 1.00 0.00 C ATOM 66 C PRO A 680 2.477 4.978 -1.818 1.00 0.00 C ATOM 67 O PRO A 680 3.239 4.469 -2.636 1.00 0.00 O ATOM 68 CB PRO A 680 2.623 7.466 -1.456 1.00 0.00 C ATOM 69 CG PRO A 680 1.537 8.453 -1.044 1.00 0.00 C ATOM 70 CD PRO A 680 0.336 7.550 -0.769 1.00 0.00 C ATOM 0 HA PRO A 680 1.897 6.422 -3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 680 3.178 7.100 -0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 680 3.347 7.927 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 680 1.824 9.023 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 680 1.327 9.174 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 680 0.333 7.205 0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -0.601 8.083 -0.930 1.00 0.00 H new ATOM 78 N SER A 681 2.125 4.426 -0.645 1.00 0.00 N ATOM 79 CA SER A 681 2.533 3.164 0.005 1.00 0.00 C ATOM 80 C SER A 681 3.266 3.455 1.332 1.00 0.00 C ATOM 81 O SER A 681 3.965 2.586 1.848 1.00 0.00 O ATOM 82 CB SER A 681 3.354 2.206 -0.881 1.00 0.00 C ATOM 83 OG SER A 681 2.699 1.928 -2.105 1.00 0.00 O ATOM 0 H SER A 681 1.459 4.919 -0.050 1.00 0.00 H new ATOM 0 HA SER A 681 1.604 2.629 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 681 4.331 2.646 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 681 3.529 1.274 -0.343 1.00 0.00 H new ATOM 0 HG SER A 681 2.866 2.657 -2.738 1.00 0.00 H new ATOM 89 N ASP A 682 3.140 4.673 1.871 1.00 0.00 N ATOM 90 CA ASP A 682 3.919 5.196 2.994 1.00 0.00 C ATOM 91 C ASP A 682 3.063 5.471 4.233 1.00 0.00 C ATOM 92 O ASP A 682 3.507 5.217 5.352 1.00 0.00 O ATOM 93 CB ASP A 682 4.624 6.492 2.543 1.00 0.00 C ATOM 94 CG ASP A 682 3.672 7.651 2.196 1.00 0.00 C ATOM 95 OD1 ASP A 682 2.513 7.372 1.792 1.00 0.00 O ATOM 96 OD2 ASP A 682 4.122 8.813 2.277 1.00 0.00 O ATOM 0 H ASP A 682 2.462 5.349 1.519 1.00 0.00 H new ATOM 0 HA ASP A 682 4.646 4.437 3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 682 5.299 6.818 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.239 6.271 1.671 1.00 0.00 H new ATOM 101 N ILE A 683 1.843 5.968 4.040 1.00 0.00 N ATOM 102 CA ILE A 683 0.958 6.414 5.095 1.00 0.00 C ATOM 103 C ILE A 683 0.037 5.301 5.560 1.00 0.00 C ATOM 104 O ILE A 683 -0.525 4.541 4.768 1.00 0.00 O ATOM 105 CB ILE A 683 0.131 7.649 4.658 1.00 0.00 C ATOM 106 CG1 ILE A 683 -0.590 7.515 3.297 1.00 0.00 C ATOM 107 CG2 ILE A 683 1.008 8.908 4.741 1.00 0.00 C ATOM 108 CD1 ILE A 683 -1.066 8.858 2.738 1.00 0.00 C ATOM 0 H ILE A 683 1.437 6.072 3.110 1.00 0.00 H new ATOM 0 HA ILE A 683 1.589 6.705 5.935 1.00 0.00 H new ATOM 0 HB ILE A 683 -0.696 7.733 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 683 0.084 7.047 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -1.447 6.850 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 683 0.427 9.777 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 683 1.351 9.045 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 683 1.869 8.796 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -1.564 8.698 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -1.764 9.317 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -0.209 9.517 2.595 1.00 0.00 H new ATOM 120 N ASP A 684 -0.126 5.255 6.880 1.00 0.00 N ATOM 121 CA ASP A 684 -1.144 4.443 7.514 1.00 0.00 C ATOM 122 C ASP A 684 -2.494 5.047 7.078 1.00 0.00 C ATOM 123 O ASP A 684 -2.609 6.279 7.000 1.00 0.00 O ATOM 124 CB ASP A 684 -0.933 4.486 9.031 1.00 0.00 C ATOM 125 CG ASP A 684 -2.142 3.900 9.741 1.00 0.00 C ATOM 126 OD1 ASP A 684 -3.139 4.644 9.849 1.00 0.00 O ATOM 127 OD2 ASP A 684 -2.097 2.702 10.088 1.00 0.00 O ATOM 0 H ASP A 684 0.449 5.784 7.536 1.00 0.00 H new ATOM 0 HA ASP A 684 -1.107 3.393 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -0.037 3.925 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -0.774 5.514 9.355 1.00 0.00 H new ATOM 132 N PRO A 685 -3.512 4.237 6.746 1.00 0.00 N ATOM 133 CA PRO A 685 -4.711 4.754 6.128 1.00 0.00 C ATOM 134 C PRO A 685 -5.581 5.492 7.144 1.00 0.00 C ATOM 135 O PRO A 685 -6.301 6.399 6.737 1.00 0.00 O ATOM 136 CB PRO A 685 -5.418 3.532 5.543 1.00 0.00 C ATOM 137 CG PRO A 685 -5.030 2.406 6.497 1.00 0.00 C ATOM 138 CD PRO A 685 -3.646 2.815 7.004 1.00 0.00 C ATOM 0 HA PRO A 685 -4.491 5.489 5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -6.498 3.673 5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -5.088 3.327 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -5.744 2.312 7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -5.000 1.443 5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -3.546 2.603 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -2.865 2.253 6.492 1.00 0.00 H new ATOM 146 N GLN A 686 -5.530 5.139 8.436 1.00 0.00 N ATOM 147 CA GLN A 686 -6.244 5.895 9.446 1.00 0.00 C ATOM 148 C GLN A 686 -5.575 7.258 9.591 1.00 0.00 C ATOM 149 O GLN A 686 -6.257 8.275 9.529 1.00 0.00 O ATOM 150 CB GLN A 686 -6.285 5.158 10.796 1.00 0.00 C ATOM 151 CG GLN A 686 -7.310 4.015 10.836 1.00 0.00 C ATOM 152 CD GLN A 686 -8.757 4.470 10.624 1.00 0.00 C ATOM 153 OE1 GLN A 686 -9.494 3.857 9.856 1.00 0.00 O ATOM 154 NE2 GLN A 686 -9.206 5.527 11.281 1.00 0.00 N ATOM 0 H GLN A 686 -5.004 4.341 8.793 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.280 6.017 9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -5.295 4.756 11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -6.518 5.873 11.585 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -7.054 3.284 10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -7.236 3.508 11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -8.589 6.032 11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -10.169 5.837 11.151 1.00 0.00 H new ATOM 163 N VAL A 687 -4.241 7.295 9.689 1.00 0.00 N ATOM 164 CA VAL A 687 -3.502 8.547 9.829 1.00 0.00 C ATOM 165 C VAL A 687 -3.800 9.475 8.650 1.00 0.00 C ATOM 166 O VAL A 687 -3.896 10.686 8.849 1.00 0.00 O ATOM 167 CB VAL A 687 -1.996 8.261 10.015 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.150 9.545 10.099 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.742 7.475 11.315 1.00 0.00 C ATOM 0 H VAL A 687 -3.651 6.463 9.673 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.832 9.071 10.726 1.00 0.00 H new ATOM 0 HB VAL A 687 -1.701 7.687 9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.100 9.281 10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.268 10.119 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -1.482 10.144 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.674 7.286 11.423 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -2.096 8.056 12.167 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.276 6.526 11.277 1.00 0.00 H new ATOM 179 N PHE A 688 -3.979 8.951 7.431 1.00 0.00 N ATOM 180 CA PHE A 688 -4.478 9.773 6.344 1.00 0.00 C ATOM 181 C PHE A 688 -5.938 10.194 6.515 1.00 0.00 C ATOM 182 O PHE A 688 -6.248 11.369 6.353 1.00 0.00 O ATOM 183 CB PHE A 688 -4.374 9.050 5.008 1.00 0.00 C ATOM 184 CG PHE A 688 -4.885 9.952 3.906 1.00 0.00 C ATOM 185 CD1 PHE A 688 -4.151 11.102 3.572 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.144 9.728 3.310 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.641 11.982 2.599 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.604 10.583 2.294 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.837 11.697 1.923 1.00 0.00 C ATOM 0 H PHE A 688 -3.788 7.980 7.184 1.00 0.00 H new ATOM 0 HA PHE A 688 -3.848 10.662 6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.339 8.770 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -4.954 8.127 5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -3.212 11.307 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -6.755 8.899 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -4.095 12.885 2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.544 10.383 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 688 -6.167 12.336 1.117 1.00 0.00 H new ATOM 199 N TYR A 689 -6.865 9.266 6.741 1.00 0.00 N ATOM 200 CA TYR A 689 -8.286 9.593 6.683 1.00 0.00 C ATOM 201 C TYR A 689 -8.774 10.363 7.918 1.00 0.00 C ATOM 202 O TYR A 689 -9.874 10.915 7.889 1.00 0.00 O ATOM 203 CB TYR A 689 -9.101 8.329 6.369 1.00 0.00 C ATOM 204 CG TYR A 689 -9.125 7.938 4.896 1.00 0.00 C ATOM 205 CD1 TYR A 689 -9.721 8.799 3.958 1.00 0.00 C ATOM 206 CD2 TYR A 689 -8.569 6.721 4.449 1.00 0.00 C ATOM 207 CE1 TYR A 689 -9.727 8.487 2.592 1.00 0.00 C ATOM 208 CE2 TYR A 689 -8.565 6.399 3.080 1.00 0.00 C ATOM 209 CZ TYR A 689 -9.138 7.289 2.142 1.00 0.00 C ATOM 210 OH TYR A 689 -9.115 7.004 0.811 1.00 0.00 O ATOM 0 H TYR A 689 -6.660 8.292 6.964 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.447 10.292 5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -8.694 7.498 6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.126 8.480 6.708 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -10.182 9.716 4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -8.143 6.032 5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -10.183 9.164 1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -8.124 5.472 2.745 1.00 0.00 H new ATOM 0 HH TYR A 689 -8.672 6.141 0.669 1.00 0.00 H new ATOM 220 N GLU A 690 -7.962 10.461 8.972 1.00 0.00 N ATOM 221 CA GLU A 690 -8.190 11.336 10.125 1.00 0.00 C ATOM 222 C GLU A 690 -7.686 12.765 9.848 1.00 0.00 C ATOM 223 O GLU A 690 -7.869 13.661 10.676 1.00 0.00 O ATOM 224 CB GLU A 690 -7.594 10.692 11.395 1.00 0.00 C ATOM 225 CG GLU A 690 -8.430 9.465 11.823 1.00 0.00 C ATOM 226 CD GLU A 690 -7.842 8.651 12.988 1.00 0.00 C ATOM 227 OE1 GLU A 690 -7.320 9.257 13.950 1.00 0.00 O ATOM 228 OE2 GLU A 690 -7.984 7.403 12.932 1.00 0.00 O ATOM 0 H GLU A 690 -7.102 9.918 9.050 1.00 0.00 H new ATOM 0 HA GLU A 690 -9.260 11.443 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -6.564 10.390 11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -7.570 11.423 12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -9.427 9.804 12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -8.547 8.806 10.962 1.00 0.00 H new ATOM 235 N LEU A 691 -7.095 13.025 8.672 1.00 0.00 N ATOM 236 CA LEU A 691 -6.786 14.379 8.216 1.00 0.00 C ATOM 237 C LEU A 691 -8.090 15.109 7.864 1.00 0.00 C ATOM 238 O LEU A 691 -9.071 14.458 7.502 1.00 0.00 O ATOM 239 CB LEU A 691 -5.883 14.348 6.971 1.00 0.00 C ATOM 240 CG LEU A 691 -4.454 13.813 7.196 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.666 13.938 5.892 1.00 0.00 C ATOM 242 CD2 LEU A 691 -3.692 14.550 8.308 1.00 0.00 C ATOM 0 H LEU A 691 -6.819 12.297 8.013 1.00 0.00 H new ATOM 0 HA LEU A 691 -6.263 14.899 9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.365 13.735 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.814 15.359 6.569 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.551 12.774 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.654 13.562 6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.158 13.356 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.624 14.985 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.695 14.122 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -3.608 15.606 8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -4.231 14.446 9.249 1.00 0.00 H new ATOM 254 N PRO A 692 -8.125 16.456 7.879 1.00 0.00 N ATOM 255 CA PRO A 692 -9.300 17.229 7.498 1.00 0.00 C ATOM 256 C PRO A 692 -9.750 16.866 6.082 1.00 0.00 C ATOM 257 O PRO A 692 -8.921 16.689 5.189 1.00 0.00 O ATOM 258 CB PRO A 692 -8.890 18.705 7.588 1.00 0.00 C ATOM 259 CG PRO A 692 -7.639 18.692 8.463 1.00 0.00 C ATOM 260 CD PRO A 692 -7.008 17.342 8.130 1.00 0.00 C ATOM 0 HA PRO A 692 -10.144 17.019 8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -8.683 19.122 6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -9.680 19.312 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.971 19.520 8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -7.885 18.774 9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -6.359 17.415 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -6.395 16.979 8.955 1.00 0.00 H new ATOM 268 N GLU A 693 -11.060 16.829 5.855 1.00 0.00 N ATOM 269 CA GLU A 693 -11.653 16.357 4.606 1.00 0.00 C ATOM 270 C GLU A 693 -11.130 17.109 3.373 1.00 0.00 C ATOM 271 O GLU A 693 -10.839 16.494 2.346 1.00 0.00 O ATOM 272 CB GLU A 693 -13.181 16.407 4.794 1.00 0.00 C ATOM 273 CG GLU A 693 -14.001 15.699 3.706 1.00 0.00 C ATOM 274 CD GLU A 693 -14.679 16.666 2.736 1.00 0.00 C ATOM 275 OE1 GLU A 693 -14.028 17.627 2.262 1.00 0.00 O ATOM 276 OE2 GLU A 693 -15.830 16.400 2.317 1.00 0.00 O ATOM 0 H GLU A 693 -11.750 17.130 6.543 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.355 15.330 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.426 15.961 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -13.491 17.451 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -13.348 15.031 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -14.761 15.078 4.180 1.00 0.00 H new ATOM 283 N ALA A 694 -10.870 18.413 3.498 1.00 0.00 N ATOM 284 CA ALA A 694 -10.288 19.175 2.404 1.00 0.00 C ATOM 285 C ALA A 694 -8.827 18.826 2.143 1.00 0.00 C ATOM 286 O ALA A 694 -8.412 18.847 0.985 1.00 0.00 O ATOM 287 CB ALA A 694 -10.467 20.674 2.653 1.00 0.00 C ATOM 0 H ALA A 694 -11.054 18.955 4.342 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.826 18.898 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -10.028 21.235 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -11.529 20.907 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.971 20.950 3.584 1.00 0.00 H new ATOM 293 N VAL A 695 -8.058 18.482 3.178 1.00 0.00 N ATOM 294 CA VAL A 695 -6.698 18.010 2.972 1.00 0.00 C ATOM 295 C VAL A 695 -6.756 16.684 2.219 1.00 0.00 C ATOM 296 O VAL A 695 -5.997 16.494 1.270 1.00 0.00 O ATOM 297 CB VAL A 695 -5.920 17.884 4.301 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.534 17.248 4.095 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.753 19.257 4.977 1.00 0.00 C ATOM 0 H VAL A 695 -8.354 18.522 4.153 1.00 0.00 H new ATOM 0 HA VAL A 695 -6.149 18.741 2.378 1.00 0.00 H new ATOM 0 HB VAL A 695 -6.508 17.232 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -4.020 17.178 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.651 16.250 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.948 17.865 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -5.202 19.139 5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -5.204 19.925 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.735 19.681 5.187 1.00 0.00 H new ATOM 309 N GLN A 696 -7.677 15.796 2.616 1.00 0.00 N ATOM 310 CA GLN A 696 -7.815 14.507 1.966 1.00 0.00 C ATOM 311 C GLN A 696 -8.056 14.715 0.482 1.00 0.00 C ATOM 312 O GLN A 696 -7.319 14.185 -0.340 1.00 0.00 O ATOM 313 CB GLN A 696 -8.960 13.668 2.541 1.00 0.00 C ATOM 314 CG GLN A 696 -8.827 13.300 4.019 1.00 0.00 C ATOM 315 CD GLN A 696 -10.116 12.633 4.503 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.802 11.950 3.751 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.502 12.847 5.742 1.00 0.00 N ATOM 0 H GLN A 696 -8.331 15.955 3.383 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.888 13.961 2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.893 14.215 2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -9.040 12.749 1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.982 12.626 4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.625 14.194 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.928 13.416 6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.376 12.444 6.081 1.00 0.00 H new ATOM 326 N LYS A 697 -9.061 15.529 0.151 1.00 0.00 N ATOM 327 CA LYS A 697 -9.421 15.819 -1.229 1.00 0.00 C ATOM 328 C LYS A 697 -8.245 16.314 -2.060 1.00 0.00 C ATOM 329 O LYS A 697 -8.135 15.899 -3.213 1.00 0.00 O ATOM 330 CB LYS A 697 -10.571 16.797 -1.265 1.00 0.00 C ATOM 331 CG LYS A 697 -11.835 15.990 -0.940 1.00 0.00 C ATOM 332 CD LYS A 697 -12.962 16.985 -0.933 1.00 0.00 C ATOM 333 CE LYS A 697 -14.287 16.296 -0.608 1.00 0.00 C ATOM 334 NZ LYS A 697 -15.282 17.265 -0.109 1.00 0.00 N ATOM 0 H LYS A 697 -9.646 16.004 0.838 1.00 0.00 H new ATOM 0 HA LYS A 697 -9.734 14.881 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.424 17.597 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.651 17.267 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.005 15.212 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -11.745 15.494 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -12.761 17.764 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -13.029 17.473 -1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -14.672 15.802 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -14.123 15.521 0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -15.909 16.797 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -14.793 18.057 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -15.846 17.625 -0.905 1.00 0.00 H new ATOM 348 N GLU A 698 -7.395 17.180 -1.514 1.00 0.00 N ATOM 349 CA GLU A 698 -6.254 17.678 -2.272 1.00 0.00 C ATOM 350 C GLU A 698 -5.257 16.542 -2.536 1.00 0.00 C ATOM 351 O GLU A 698 -4.792 16.374 -3.661 1.00 0.00 O ATOM 352 CB GLU A 698 -5.602 18.869 -1.548 1.00 0.00 C ATOM 353 CG GLU A 698 -5.365 20.048 -2.505 1.00 0.00 C ATOM 354 CD GLU A 698 -4.625 19.643 -3.786 1.00 0.00 C ATOM 355 OE1 GLU A 698 -3.402 19.410 -3.731 1.00 0.00 O ATOM 356 OE2 GLU A 698 -5.277 19.535 -4.850 1.00 0.00 O ATOM 0 H GLU A 698 -7.473 17.546 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.598 18.042 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.241 19.190 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -4.653 18.556 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -6.325 20.491 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -4.791 20.818 -1.989 1.00 0.00 H new ATOM 363 N LEU A 699 -4.985 15.687 -1.543 1.00 0.00 N ATOM 364 CA LEU A 699 -4.139 14.518 -1.741 1.00 0.00 C ATOM 365 C LEU A 699 -4.765 13.495 -2.685 1.00 0.00 C ATOM 366 O LEU A 699 -4.036 12.905 -3.471 1.00 0.00 O ATOM 367 CB LEU A 699 -3.838 13.885 -0.382 1.00 0.00 C ATOM 368 CG LEU A 699 -2.629 14.485 0.352 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.304 13.989 -0.231 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.617 16.008 0.469 1.00 0.00 C ATOM 0 H LEU A 699 -5.343 15.789 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.214 14.846 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.718 13.985 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.667 12.818 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 699 -2.742 14.117 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.475 14.437 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.252 12.904 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.240 14.272 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.721 16.325 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.620 16.450 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.501 16.338 1.015 1.00 0.00 H new ATOM 382 N LEU A 700 -6.086 13.296 -2.664 1.00 0.00 N ATOM 383 CA LEU A 700 -6.773 12.452 -3.642 1.00 0.00 C ATOM 384 C LEU A 700 -6.545 13.032 -5.038 1.00 0.00 C ATOM 385 O LEU A 700 -6.231 12.292 -5.978 1.00 0.00 O ATOM 386 CB LEU A 700 -8.292 12.359 -3.376 1.00 0.00 C ATOM 387 CG LEU A 700 -8.745 11.663 -2.078 1.00 0.00 C ATOM 388 CD1 LEU A 700 -10.280 11.678 -1.998 1.00 0.00 C ATOM 389 CD2 LEU A 700 -8.247 10.218 -1.970 1.00 0.00 C ATOM 0 H LEU A 700 -6.706 13.714 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 700 -6.363 11.445 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.696 13.371 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.749 11.836 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 700 -8.307 12.218 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -10.601 11.186 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -10.634 12.709 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.694 11.150 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -8.598 9.781 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.631 9.637 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -7.157 10.206 -1.989 1.00 0.00 H new ATOM 401 N ALA A 701 -6.678 14.356 -5.177 1.00 0.00 N ATOM 402 CA ALA A 701 -6.435 15.041 -6.429 1.00 0.00 C ATOM 403 C ALA A 701 -4.985 14.830 -6.852 1.00 0.00 C ATOM 404 O ALA A 701 -4.774 14.472 -8.003 1.00 0.00 O ATOM 405 CB ALA A 701 -6.795 16.527 -6.340 1.00 0.00 C ATOM 0 H ALA A 701 -6.958 14.974 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.084 14.616 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -6.599 17.007 -7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -7.851 16.631 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.192 17.002 -5.566 1.00 0.00 H new ATOM 411 N GLU A 702 -4.004 14.960 -5.956 1.00 0.00 N ATOM 412 CA GLU A 702 -2.592 14.725 -6.246 1.00 0.00 C ATOM 413 C GLU A 702 -2.375 13.287 -6.707 1.00 0.00 C ATOM 414 O GLU A 702 -1.736 13.022 -7.726 1.00 0.00 O ATOM 415 CB GLU A 702 -1.735 15.020 -5.000 1.00 0.00 C ATOM 416 CG GLU A 702 -0.225 14.965 -5.287 1.00 0.00 C ATOM 417 CD GLU A 702 0.202 16.074 -6.247 1.00 0.00 C ATOM 418 OE1 GLU A 702 0.057 15.904 -7.477 1.00 0.00 O ATOM 419 OE2 GLU A 702 0.546 17.175 -5.769 1.00 0.00 O ATOM 0 H GLU A 702 -4.175 15.237 -4.989 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.287 15.397 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -1.991 16.007 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -1.978 14.300 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 702 0.328 15.058 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 702 0.031 13.995 -5.713 1.00 0.00 H new ATOM 426 N TRP A 703 -2.961 12.323 -6.005 1.00 0.00 N ATOM 427 CA TRP A 703 -2.875 10.918 -6.354 1.00 0.00 C ATOM 428 C TRP A 703 -3.551 10.615 -7.693 1.00 0.00 C ATOM 429 O TRP A 703 -3.253 9.572 -8.279 1.00 0.00 O ATOM 430 CB TRP A 703 -3.330 10.076 -5.160 1.00 0.00 C ATOM 431 CG TRP A 703 -2.450 10.211 -3.954 1.00 0.00 C ATOM 432 CD1 TRP A 703 -1.124 10.499 -3.926 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.866 10.154 -2.565 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.710 10.662 -2.620 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.738 10.429 -1.738 1.00 0.00 C ATOM 436 CE3 TRP A 703 -4.097 9.919 -1.926 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.821 10.445 -0.345 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -4.205 9.978 -0.528 1.00 0.00 C ATOM 439 CH2 TRP A 703 -3.070 10.245 0.255 1.00 0.00 C ATOM 0 H TRP A 703 -3.515 12.503 -5.168 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.840 10.632 -6.543 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -4.346 10.364 -4.891 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -3.364 9.028 -5.458 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.489 10.587 -4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.237 10.922 -2.345 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.970 9.690 -2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.940 10.608 0.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -5.162 9.818 -0.054 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -3.162 10.297 1.330 1.00 0.00 H new ATOM 450 N LYS A 704 -4.363 11.534 -8.238 1.00 0.00 N ATOM 451 CA LYS A 704 -4.874 11.463 -9.607 1.00 0.00 C ATOM 452 C LYS A 704 -4.143 12.432 -10.562 1.00 0.00 C ATOM 453 O LYS A 704 -4.219 12.212 -11.769 1.00 0.00 O ATOM 454 CB LYS A 704 -6.399 11.677 -9.574 1.00 0.00 C ATOM 455 CG LYS A 704 -7.171 11.434 -10.887 1.00 0.00 C ATOM 456 CD LYS A 704 -7.342 9.971 -11.343 1.00 0.00 C ATOM 457 CE LYS A 704 -6.081 9.211 -11.792 1.00 0.00 C ATOM 458 NZ LYS A 704 -5.337 9.890 -12.870 1.00 0.00 N ATOM 0 H LYS A 704 -4.685 12.357 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 704 -4.671 10.474 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -6.816 11.021 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -6.590 12.701 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.163 11.873 -10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -6.664 11.979 -11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -7.795 9.414 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -8.054 9.958 -12.168 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -5.422 9.078 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -6.368 8.215 -12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -4.735 9.201 -13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -6.008 10.309 -13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -4.742 10.640 -12.463 1.00 0.00 H new ATOM 472 N ARG A 705 -3.414 13.453 -10.096 1.00 0.00 N ATOM 473 CA ARG A 705 -2.528 14.279 -10.932 1.00 0.00 C ATOM 474 C ARG A 705 -1.332 13.449 -11.366 1.00 0.00 C ATOM 475 O ARG A 705 -0.905 13.532 -12.512 1.00 0.00 O ATOM 476 CB ARG A 705 -1.986 15.511 -10.172 1.00 0.00 C ATOM 477 CG ARG A 705 -3.008 16.625 -9.916 1.00 0.00 C ATOM 478 CD ARG A 705 -2.367 17.927 -9.404 1.00 0.00 C ATOM 479 NE ARG A 705 -1.896 17.856 -8.006 1.00 0.00 N ATOM 480 CZ ARG A 705 -2.518 18.342 -6.921 1.00 0.00 C ATOM 481 NH1 ARG A 705 -3.789 18.716 -6.981 1.00 0.00 N ATOM 482 NH2 ARG A 705 -1.864 18.450 -5.779 1.00 0.00 N ATOM 0 H ARG A 705 -3.421 13.734 -9.116 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.117 14.620 -11.783 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -1.587 15.179 -9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -1.152 15.928 -10.737 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -3.549 16.832 -10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -3.741 16.277 -9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -1.525 18.183 -10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -3.092 18.736 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 705 -1.003 17.388 -7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -4.303 18.635 -7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -4.252 19.084 -6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -0.887 18.164 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -2.336 18.819 -4.954 1.00 0.00 H new ATOM 496 N THR A 706 -0.797 12.639 -10.459 1.00 0.00 N ATOM 497 CA THR A 706 0.462 11.916 -10.590 1.00 0.00 C ATOM 498 C THR A 706 0.356 10.666 -11.490 1.00 0.00 C ATOM 499 O THR A 706 0.987 9.647 -11.202 1.00 0.00 O ATOM 500 CB THR A 706 0.952 11.597 -9.158 1.00 0.00 C ATOM 501 OG1 THR A 706 -0.090 11.029 -8.371 1.00 0.00 O ATOM 502 CG2 THR A 706 1.440 12.868 -8.454 1.00 0.00 C ATOM 0 H THR A 706 -1.255 12.460 -9.565 1.00 0.00 H new ATOM 0 HA THR A 706 1.196 12.536 -11.106 1.00 0.00 H new ATOM 0 HB THR A 706 1.770 10.883 -9.255 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.550 11.739 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 706 1.780 12.619 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 706 2.265 13.303 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 706 0.623 13.587 -8.393 1.00 0.00 H new ATOM 510 N GLY A 707 -0.535 10.666 -12.481 1.00 0.00 N ATOM 511 CA GLY A 707 -0.879 9.494 -13.278 1.00 0.00 C ATOM 512 C GLY A 707 -2.327 9.137 -13.019 1.00 0.00 C ATOM 513 O GLY A 707 -3.086 9.001 -13.993 1.00 0.00 O ATOM 514 OXT GLY A 707 -2.730 9.064 -11.836 1.00 0.00 O ATOM 0 H GLY A 707 -1.049 11.503 -12.757 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -0.724 9.699 -14.337 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -0.231 8.657 -13.018 1.00 0.00 H new TER 518 GLY A 707