USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 253 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 696 GLN : amide:sc= 1.34 K(o=1.5,f=-2.8) USER MOD Set 1.2: A 697 LYS NZ :NH3+ -151:sc= 0.158! (180deg=-0.824!) USER MOD Set 2.1: A -1 MET CE :methyl -162:sc= 0 (180deg=-0.0971) USER MOD Set 2.2: A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A -2 HIS : no HE2:sc= 0.217 K(o=0.22,f=-3!) USER MOD Single : A -3 GLY N :NH3+ -159:sc= 1.92 (180deg=1.58) USER MOD Single : A 681 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 686 GLN : amide:sc= -1.19! C(o=-1.2!,f=-3.7!) USER MOD Single : A 704 LYS NZ :NH3+ 164:sc= 0.757 (180deg=-0.275!) USER MOD Single : A 706 THR OG1 : rot -62:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.052 2.320 4.630 1.00 0.00 N ATOM 2 CA GLY A -3 0.053 2.262 3.553 1.00 0.00 C ATOM 3 C GLY A -3 -0.537 0.885 3.304 1.00 0.00 C ATOM 4 O GLY A -3 -0.183 0.242 2.322 1.00 0.00 O ATOM 0 H1 GLY A -3 1.137 3.298 4.972 1.00 0.00 H new ATOM 0 H2 GLY A -3 0.754 1.704 5.413 1.00 0.00 H new ATOM 0 H3 GLY A -3 1.972 1.999 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -0.757 2.951 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A -3 0.513 2.617 2.631 1.00 0.00 H new ATOM 10 N HIS A -2 -1.495 0.447 4.128 1.00 0.00 N ATOM 11 CA HIS A -2 -2.295 -0.758 3.886 1.00 0.00 C ATOM 12 C HIS A -2 -3.086 -0.663 2.565 1.00 0.00 C ATOM 13 O HIS A -2 -3.253 -1.670 1.879 1.00 0.00 O ATOM 14 CB HIS A -2 -3.219 -0.962 5.105 1.00 0.00 C ATOM 15 CG HIS A -2 -4.241 -2.081 5.041 1.00 0.00 C ATOM 16 ND1 HIS A -2 -4.494 -2.942 3.995 1.00 0.00 N ATOM 17 CD2 HIS A -2 -5.163 -2.364 6.014 1.00 0.00 C ATOM 18 CE1 HIS A -2 -5.546 -3.706 4.324 1.00 0.00 C ATOM 19 NE2 HIS A -2 -5.991 -3.395 5.551 1.00 0.00 N ATOM 0 H HIS A -2 -1.740 0.927 4.994 1.00 0.00 H new ATOM 0 HA HIS A -2 -1.643 -1.624 3.772 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -2.589 -1.134 5.977 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -3.755 -0.029 5.278 1.00 0.00 H new ATOM 0 HD1 HIS A -2 -3.971 -2.990 3.121 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -5.239 -1.876 6.974 1.00 0.00 H new ATOM 0 HE1 HIS A -2 -5.976 -4.467 3.689 1.00 0.00 H new ATOM 27 N MET A -1 -3.581 0.527 2.200 1.00 0.00 N ATOM 28 CA MET A -1 -4.319 0.769 0.956 1.00 0.00 C ATOM 29 C MET A -1 -4.068 2.203 0.461 1.00 0.00 C ATOM 30 O MET A -1 -4.967 2.868 -0.042 1.00 0.00 O ATOM 31 CB MET A -1 -5.819 0.434 1.119 1.00 0.00 C ATOM 32 CG MET A -1 -6.534 1.276 2.185 1.00 0.00 C ATOM 33 SD MET A -1 -8.303 1.589 1.937 1.00 0.00 S ATOM 34 CE MET A -1 -8.215 2.811 0.598 1.00 0.00 C ATOM 0 H MET A -1 -3.477 1.364 2.773 1.00 0.00 H new ATOM 0 HA MET A -1 -3.947 0.096 0.184 1.00 0.00 H new ATOM 0 HB2 MET A -1 -6.319 0.578 0.161 1.00 0.00 H new ATOM 0 HB3 MET A -1 -5.920 -0.621 1.376 1.00 0.00 H new ATOM 0 HG2 MET A -1 -6.409 0.780 3.148 1.00 0.00 H new ATOM 0 HG3 MET A -1 -6.026 2.238 2.254 1.00 0.00 H new ATOM 0 HE1 MET A -1 -9.161 3.348 0.533 1.00 0.00 H new ATOM 0 HE2 MET A -1 -7.410 3.517 0.802 1.00 0.00 H new ATOM 0 HE3 MET A -1 -8.020 2.303 -0.346 1.00 0.00 H new ATOM 44 N PHE A 679 -2.852 2.704 0.672 1.00 0.00 N ATOM 45 CA PHE A 679 -2.405 4.070 0.411 1.00 0.00 C ATOM 46 C PHE A 679 -0.904 3.981 0.084 1.00 0.00 C ATOM 47 O PHE A 679 -0.356 2.884 0.238 1.00 0.00 O ATOM 48 CB PHE A 679 -2.637 4.916 1.683 1.00 0.00 C ATOM 49 CG PHE A 679 -3.947 5.678 1.693 1.00 0.00 C ATOM 50 CD1 PHE A 679 -4.003 6.968 1.139 1.00 0.00 C ATOM 51 CD2 PHE A 679 -5.105 5.111 2.257 1.00 0.00 C ATOM 52 CE1 PHE A 679 -5.236 7.621 1.031 1.00 0.00 C ATOM 53 CE2 PHE A 679 -6.325 5.814 2.239 1.00 0.00 C ATOM 54 CZ PHE A 679 -6.401 7.046 1.567 1.00 0.00 C ATOM 0 H PHE A 679 -2.103 2.127 1.056 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.947 4.535 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.605 4.260 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.816 5.626 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -3.100 7.453 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -5.058 4.130 2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -5.293 8.576 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -7.194 5.410 2.737 1.00 0.00 H new ATOM 0 HZ PHE A 679 -7.351 7.549 1.463 1.00 0.00 H new ATOM 64 N PRO A 680 -0.236 5.066 -0.366 1.00 0.00 N ATOM 65 CA PRO A 680 1.221 5.109 -0.464 1.00 0.00 C ATOM 66 C PRO A 680 1.906 4.440 0.738 1.00 0.00 C ATOM 67 O PRO A 680 1.397 4.471 1.861 1.00 0.00 O ATOM 68 CB PRO A 680 1.576 6.586 -0.605 1.00 0.00 C ATOM 69 CG PRO A 680 0.392 7.121 -1.406 1.00 0.00 C ATOM 70 CD PRO A 680 -0.799 6.307 -0.886 1.00 0.00 C ATOM 0 HA PRO A 680 1.582 4.539 -1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.669 7.078 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 680 2.521 6.730 -1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 680 0.248 8.189 -1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 680 0.537 6.979 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.334 6.850 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -1.514 6.108 -1.684 1.00 0.00 H new ATOM 78 N SER A 681 3.046 3.802 0.476 1.00 0.00 N ATOM 79 CA SER A 681 3.735 2.910 1.395 1.00 0.00 C ATOM 80 C SER A 681 3.867 3.439 2.824 1.00 0.00 C ATOM 81 O SER A 681 3.684 2.674 3.772 1.00 0.00 O ATOM 82 CB SER A 681 5.104 2.560 0.794 1.00 0.00 C ATOM 83 OG SER A 681 5.005 2.336 -0.609 1.00 0.00 O ATOM 0 H SER A 681 3.530 3.899 -0.417 1.00 0.00 H new ATOM 0 HA SER A 681 3.119 2.017 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 681 5.808 3.370 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 681 5.501 1.669 1.281 1.00 0.00 H new ATOM 0 HG SER A 681 5.890 2.117 -0.968 1.00 0.00 H new ATOM 89 N ASP A 682 4.132 4.733 2.957 1.00 0.00 N ATOM 90 CA ASP A 682 4.168 5.492 4.193 1.00 0.00 C ATOM 91 C ASP A 682 2.772 5.576 4.829 1.00 0.00 C ATOM 92 O ASP A 682 2.446 4.744 5.681 1.00 0.00 O ATOM 93 CB ASP A 682 4.816 6.866 3.908 1.00 0.00 C ATOM 94 CG ASP A 682 4.097 7.672 2.819 1.00 0.00 C ATOM 95 OD1 ASP A 682 4.017 7.166 1.674 1.00 0.00 O ATOM 96 OD2 ASP A 682 3.532 8.726 3.171 1.00 0.00 O ATOM 0 H ASP A 682 4.341 5.316 2.147 1.00 0.00 H new ATOM 0 HA ASP A 682 4.784 4.988 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 682 4.831 7.449 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.853 6.714 3.610 1.00 0.00 H new ATOM 101 N ILE A 683 1.939 6.537 4.424 1.00 0.00 N ATOM 102 CA ILE A 683 0.672 6.887 5.062 1.00 0.00 C ATOM 103 C ILE A 683 -0.218 5.659 5.165 1.00 0.00 C ATOM 104 O ILE A 683 -0.600 5.061 4.161 1.00 0.00 O ATOM 105 CB ILE A 683 -0.068 8.031 4.325 1.00 0.00 C ATOM 106 CG1 ILE A 683 0.040 7.944 2.793 1.00 0.00 C ATOM 107 CG2 ILE A 683 0.393 9.415 4.794 1.00 0.00 C ATOM 108 CD1 ILE A 683 -0.903 8.897 2.056 1.00 0.00 C ATOM 0 H ILE A 683 2.139 7.116 3.608 1.00 0.00 H new ATOM 0 HA ILE A 683 0.904 7.253 6.062 1.00 0.00 H new ATOM 0 HB ILE A 683 -1.117 7.897 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 683 1.066 8.161 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -0.173 6.922 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -0.154 10.185 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 683 0.200 9.520 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 683 1.461 9.526 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -0.771 8.780 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -1.934 8.666 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -0.676 9.925 2.340 1.00 0.00 H new ATOM 120 N ASP A 684 -0.559 5.260 6.385 1.00 0.00 N ATOM 121 CA ASP A 684 -1.562 4.223 6.568 1.00 0.00 C ATOM 122 C ASP A 684 -2.947 4.867 6.484 1.00 0.00 C ATOM 123 O ASP A 684 -3.062 6.063 6.756 1.00 0.00 O ATOM 124 CB ASP A 684 -1.292 3.418 7.848 1.00 0.00 C ATOM 125 CG ASP A 684 -1.427 1.928 7.538 1.00 0.00 C ATOM 126 OD1 ASP A 684 -0.737 1.475 6.591 1.00 0.00 O ATOM 127 OD2 ASP A 684 -2.296 1.280 8.150 1.00 0.00 O ATOM 0 H ASP A 684 -0.162 5.633 7.248 1.00 0.00 H new ATOM 0 HA ASP A 684 -1.513 3.479 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -0.293 3.635 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -1.996 3.705 8.629 1.00 0.00 H new ATOM 132 N PRO A 685 -4.000 4.132 6.076 1.00 0.00 N ATOM 133 CA PRO A 685 -5.299 4.708 5.762 1.00 0.00 C ATOM 134 C PRO A 685 -5.872 5.478 6.937 1.00 0.00 C ATOM 135 O PRO A 685 -6.472 6.525 6.731 1.00 0.00 O ATOM 136 CB PRO A 685 -6.222 3.543 5.378 1.00 0.00 C ATOM 137 CG PRO A 685 -5.272 2.374 5.140 1.00 0.00 C ATOM 138 CD PRO A 685 -4.080 2.692 6.023 1.00 0.00 C ATOM 0 HA PRO A 685 -5.204 5.423 4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -6.935 3.321 6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -6.802 3.773 4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -5.730 1.424 5.414 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -4.985 2.299 4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.209 2.271 7.020 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -3.165 2.265 5.613 1.00 0.00 H new ATOM 146 N GLN A 686 -5.653 4.973 8.152 1.00 0.00 N ATOM 147 CA GLN A 686 -6.109 5.614 9.371 1.00 0.00 C ATOM 148 C GLN A 686 -5.543 7.035 9.412 1.00 0.00 C ATOM 149 O GLN A 686 -6.302 8.000 9.387 1.00 0.00 O ATOM 150 CB GLN A 686 -5.712 4.812 10.629 1.00 0.00 C ATOM 151 CG GLN A 686 -6.228 3.360 10.668 1.00 0.00 C ATOM 152 CD GLN A 686 -5.503 2.451 9.675 1.00 0.00 C ATOM 153 OE1 GLN A 686 -6.056 2.070 8.649 1.00 0.00 O ATOM 154 NE2 GLN A 686 -4.229 2.182 9.907 1.00 0.00 N ATOM 0 H GLN A 686 -5.149 4.100 8.311 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.198 5.652 9.369 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -4.625 4.797 10.703 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -6.084 5.337 11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -6.106 2.962 11.675 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -7.296 3.352 10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -3.787 2.508 10.767 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -3.688 1.649 9.226 1.00 0.00 H new ATOM 163 N VAL A 687 -4.215 7.145 9.304 1.00 0.00 N ATOM 164 CA VAL A 687 -3.480 8.399 9.398 1.00 0.00 C ATOM 165 C VAL A 687 -3.938 9.346 8.290 1.00 0.00 C ATOM 166 O VAL A 687 -4.026 10.556 8.494 1.00 0.00 O ATOM 167 CB VAL A 687 -1.955 8.132 9.304 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.151 9.362 9.755 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.499 6.937 10.164 1.00 0.00 C ATOM 0 H VAL A 687 -3.610 6.339 9.145 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.683 8.867 10.361 1.00 0.00 H new ATOM 0 HB VAL A 687 -1.766 7.905 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.085 9.148 9.679 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.397 10.211 9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -1.400 9.601 10.789 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.423 6.801 10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -1.737 7.130 11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.014 6.034 9.835 1.00 0.00 H new ATOM 179 N PHE A 688 -4.221 8.806 7.102 1.00 0.00 N ATOM 180 CA PHE A 688 -4.681 9.609 5.990 1.00 0.00 C ATOM 181 C PHE A 688 -6.091 10.143 6.215 1.00 0.00 C ATOM 182 O PHE A 688 -6.355 11.290 5.873 1.00 0.00 O ATOM 183 CB PHE A 688 -4.632 8.808 4.693 1.00 0.00 C ATOM 184 CG PHE A 688 -4.972 9.702 3.526 1.00 0.00 C ATOM 185 CD1 PHE A 688 -3.986 10.557 3.009 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.286 9.753 3.021 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.294 11.408 1.940 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.578 10.573 1.916 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.571 11.385 1.367 1.00 0.00 C ATOM 0 H PHE A 688 -4.136 7.811 6.895 1.00 0.00 H new ATOM 0 HA PHE A 688 -4.008 10.463 5.913 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.639 8.379 4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -5.334 7.976 4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -2.993 10.559 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -7.066 9.165 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.544 12.084 1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.571 10.579 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 688 -5.783 11.993 0.500 1.00 0.00 H new ATOM 199 N TYR A 689 -7.011 9.352 6.764 1.00 0.00 N ATOM 200 CA TYR A 689 -8.364 9.824 7.026 1.00 0.00 C ATOM 201 C TYR A 689 -8.411 10.717 8.276 1.00 0.00 C ATOM 202 O TYR A 689 -9.341 11.511 8.407 1.00 0.00 O ATOM 203 CB TYR A 689 -9.319 8.633 7.134 1.00 0.00 C ATOM 204 CG TYR A 689 -9.507 7.802 5.872 1.00 0.00 C ATOM 205 CD1 TYR A 689 -9.883 8.411 4.659 1.00 0.00 C ATOM 206 CD2 TYR A 689 -9.338 6.404 5.921 1.00 0.00 C ATOM 207 CE1 TYR A 689 -10.045 7.634 3.496 1.00 0.00 C ATOM 208 CE2 TYR A 689 -9.501 5.617 4.767 1.00 0.00 C ATOM 209 CZ TYR A 689 -9.845 6.236 3.544 1.00 0.00 C ATOM 210 OH TYR A 689 -9.961 5.490 2.408 1.00 0.00 O ATOM 0 H TYR A 689 -6.842 8.383 7.035 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.690 10.443 6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -8.958 7.976 7.926 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.295 9.004 7.448 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -10.048 9.478 4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -9.080 5.931 6.857 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -10.323 8.107 2.566 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -9.364 4.547 4.815 1.00 0.00 H new ATOM 0 HH TYR A 689 -9.791 4.548 2.617 1.00 0.00 H new ATOM 220 N GLU A 690 -7.419 10.631 9.166 1.00 0.00 N ATOM 221 CA GLU A 690 -7.226 11.564 10.280 1.00 0.00 C ATOM 222 C GLU A 690 -6.764 12.950 9.784 1.00 0.00 C ATOM 223 O GLU A 690 -6.776 13.921 10.544 1.00 0.00 O ATOM 224 CB GLU A 690 -6.231 10.956 11.294 1.00 0.00 C ATOM 225 CG GLU A 690 -6.830 9.792 12.107 1.00 0.00 C ATOM 226 CD GLU A 690 -5.770 9.018 12.910 1.00 0.00 C ATOM 227 OE1 GLU A 690 -5.438 9.476 14.028 1.00 0.00 O ATOM 228 OE2 GLU A 690 -5.305 7.957 12.422 1.00 0.00 O ATOM 0 H GLU A 690 -6.713 9.896 9.132 1.00 0.00 H new ATOM 0 HA GLU A 690 -8.182 11.719 10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -5.349 10.602 10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -5.898 11.736 11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -7.584 10.182 12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -7.339 9.106 11.430 1.00 0.00 H new ATOM 235 N LEU A 691 -6.381 13.077 8.506 1.00 0.00 N ATOM 236 CA LEU A 691 -6.133 14.371 7.875 1.00 0.00 C ATOM 237 C LEU A 691 -7.469 15.102 7.684 1.00 0.00 C ATOM 238 O LEU A 691 -8.495 14.444 7.481 1.00 0.00 O ATOM 239 CB LEU A 691 -5.444 14.208 6.511 1.00 0.00 C ATOM 240 CG LEU A 691 -4.079 13.492 6.548 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.483 13.408 5.137 1.00 0.00 C ATOM 242 CD2 LEU A 691 -3.079 14.184 7.481 1.00 0.00 C ATOM 0 H LEU A 691 -6.236 12.282 7.884 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.472 14.947 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.110 13.654 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.307 15.196 6.071 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.260 12.490 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.519 12.900 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.159 12.851 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.346 14.414 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.135 13.640 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -2.912 15.206 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.478 14.199 8.495 1.00 0.00 H new ATOM 254 N PRO A 692 -7.482 16.449 7.664 1.00 0.00 N ATOM 255 CA PRO A 692 -8.689 17.214 7.395 1.00 0.00 C ATOM 256 C PRO A 692 -9.316 16.761 6.084 1.00 0.00 C ATOM 257 O PRO A 692 -8.593 16.467 5.129 1.00 0.00 O ATOM 258 CB PRO A 692 -8.269 18.687 7.303 1.00 0.00 C ATOM 259 CG PRO A 692 -6.914 18.726 8.004 1.00 0.00 C ATOM 260 CD PRO A 692 -6.338 17.337 7.736 1.00 0.00 C ATOM 0 HA PRO A 692 -9.429 17.068 8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -8.193 19.017 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -8.991 19.340 7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.275 19.511 7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -7.019 18.918 9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -5.770 17.321 6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.656 17.035 8.531 1.00 0.00 H new ATOM 268 N GLU A 693 -10.648 16.823 6.021 1.00 0.00 N ATOM 269 CA GLU A 693 -11.450 16.442 4.866 1.00 0.00 C ATOM 270 C GLU A 693 -10.801 16.912 3.570 1.00 0.00 C ATOM 271 O GLU A 693 -10.429 16.112 2.711 1.00 0.00 O ATOM 272 CB GLU A 693 -12.865 17.037 5.067 1.00 0.00 C ATOM 273 CG GLU A 693 -13.823 16.895 3.868 1.00 0.00 C ATOM 274 CD GLU A 693 -14.110 15.447 3.477 1.00 0.00 C ATOM 275 OE1 GLU A 693 -13.676 14.509 4.179 1.00 0.00 O ATOM 276 OE2 GLU A 693 -14.646 15.229 2.372 1.00 0.00 O ATOM 0 H GLU A 693 -11.214 17.152 6.803 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.521 15.357 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.322 16.558 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -12.764 18.096 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -14.764 17.391 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -13.397 17.416 3.010 1.00 0.00 H new ATOM 283 N ALA A 694 -10.568 18.216 3.460 1.00 0.00 N ATOM 284 CA ALA A 694 -10.091 18.789 2.220 1.00 0.00 C ATOM 285 C ALA A 694 -8.654 18.409 1.886 1.00 0.00 C ATOM 286 O ALA A 694 -8.311 18.403 0.709 1.00 0.00 O ATOM 287 CB ALA A 694 -10.235 20.308 2.294 1.00 0.00 C ATOM 0 H ALA A 694 -10.703 18.888 4.215 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.701 18.379 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -9.879 20.753 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -11.283 20.567 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.646 20.689 3.128 1.00 0.00 H new ATOM 293 N VAL A 695 -7.830 18.073 2.881 1.00 0.00 N ATOM 294 CA VAL A 695 -6.485 17.604 2.609 1.00 0.00 C ATOM 295 C VAL A 695 -6.579 16.249 1.919 1.00 0.00 C ATOM 296 O VAL A 695 -5.916 16.041 0.906 1.00 0.00 O ATOM 297 CB VAL A 695 -5.636 17.541 3.892 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.272 16.872 3.652 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.414 18.953 4.458 1.00 0.00 C ATOM 0 H VAL A 695 -8.074 18.119 3.870 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.977 18.308 1.950 1.00 0.00 H new ATOM 0 HB VAL A 695 -6.190 16.935 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.708 16.850 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.424 15.853 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.716 17.438 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.812 18.891 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.895 19.564 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.377 19.407 4.692 1.00 0.00 H new ATOM 309 N GLN A 696 -7.435 15.354 2.428 1.00 0.00 N ATOM 310 CA GLN A 696 -7.627 14.044 1.833 1.00 0.00 C ATOM 311 C GLN A 696 -8.012 14.199 0.364 1.00 0.00 C ATOM 312 O GLN A 696 -7.531 13.470 -0.502 1.00 0.00 O ATOM 313 CB GLN A 696 -8.762 13.275 2.522 1.00 0.00 C ATOM 314 CG GLN A 696 -8.638 12.995 4.023 1.00 0.00 C ATOM 315 CD GLN A 696 -10.002 12.580 4.577 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.852 12.058 3.846 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.262 12.848 5.844 1.00 0.00 N ATOM 0 H GLN A 696 -8.005 15.524 3.257 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.691 13.497 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.686 13.831 2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -8.873 12.318 2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.907 12.206 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.278 13.884 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.548 13.279 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.177 12.624 6.235 1.00 0.00 H new ATOM 326 N LYS A 697 -8.910 15.149 0.092 1.00 0.00 N ATOM 327 CA LYS A 697 -9.477 15.327 -1.235 1.00 0.00 C ATOM 328 C LYS A 697 -8.449 15.966 -2.167 1.00 0.00 C ATOM 329 O LYS A 697 -8.334 15.505 -3.300 1.00 0.00 O ATOM 330 CB LYS A 697 -10.803 16.111 -1.148 1.00 0.00 C ATOM 331 CG LYS A 697 -12.019 15.213 -0.817 1.00 0.00 C ATOM 332 CD LYS A 697 -11.994 14.574 0.582 1.00 0.00 C ATOM 333 CE LYS A 697 -13.017 13.454 0.750 1.00 0.00 C ATOM 334 NZ LYS A 697 -13.005 12.880 2.121 1.00 0.00 N ATOM 0 H LYS A 697 -9.259 15.810 0.786 1.00 0.00 H new ATOM 0 HA LYS A 697 -9.722 14.357 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.712 16.884 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.981 16.618 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.927 15.808 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -12.079 14.419 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -10.997 14.179 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -12.182 15.344 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -14.013 13.838 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -12.811 12.665 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -13.300 11.884 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -12.044 12.942 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -13.662 13.413 2.726 1.00 0.00 H new ATOM 348 N GLU A 698 -7.673 16.951 -1.705 1.00 0.00 N ATOM 349 CA GLU A 698 -6.593 17.519 -2.503 1.00 0.00 C ATOM 350 C GLU A 698 -5.530 16.467 -2.806 1.00 0.00 C ATOM 351 O GLU A 698 -5.062 16.410 -3.930 1.00 0.00 O ATOM 352 CB GLU A 698 -5.960 18.743 -1.815 1.00 0.00 C ATOM 353 CG GLU A 698 -6.454 20.069 -2.407 1.00 0.00 C ATOM 354 CD GLU A 698 -5.964 20.270 -3.848 1.00 0.00 C ATOM 355 OE1 GLU A 698 -4.837 20.777 -4.038 1.00 0.00 O ATOM 356 OE2 GLU A 698 -6.688 19.879 -4.792 1.00 0.00 O ATOM 0 H GLU A 698 -7.776 17.369 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 698 -7.027 17.855 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.189 18.716 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -4.875 18.688 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -7.544 20.092 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -6.107 20.895 -1.787 1.00 0.00 H new ATOM 363 N LEU A 699 -5.177 15.597 -1.856 1.00 0.00 N ATOM 364 CA LEU A 699 -4.210 14.523 -2.074 1.00 0.00 C ATOM 365 C LEU A 699 -4.720 13.520 -3.102 1.00 0.00 C ATOM 366 O LEU A 699 -3.945 13.067 -3.938 1.00 0.00 O ATOM 367 CB LEU A 699 -3.906 13.841 -0.730 1.00 0.00 C ATOM 368 CG LEU A 699 -2.782 14.454 0.133 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.442 13.767 -0.143 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.601 15.972 0.018 1.00 0.00 C ATOM 0 H LEU A 699 -5.557 15.620 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.289 14.946 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.822 13.836 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.650 12.800 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 699 -3.115 14.273 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.667 14.218 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.522 12.705 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.181 13.888 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.785 16.291 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.367 16.233 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.521 16.472 0.319 1.00 0.00 H new ATOM 382 N LEU A 700 -6.014 13.193 -3.098 1.00 0.00 N ATOM 383 CA LEU A 700 -6.593 12.328 -4.122 1.00 0.00 C ATOM 384 C LEU A 700 -6.551 13.025 -5.486 1.00 0.00 C ATOM 385 O LEU A 700 -6.164 12.404 -6.479 1.00 0.00 O ATOM 386 CB LEU A 700 -8.024 11.915 -3.732 1.00 0.00 C ATOM 387 CG LEU A 700 -8.065 10.825 -2.640 1.00 0.00 C ATOM 388 CD1 LEU A 700 -9.461 10.753 -2.007 1.00 0.00 C ATOM 389 CD2 LEU A 700 -7.708 9.441 -3.205 1.00 0.00 C ATOM 0 H LEU A 700 -6.679 13.516 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 700 -6.001 11.416 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.566 12.793 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.545 11.552 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 700 -7.326 11.099 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -9.473 9.980 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -9.706 11.715 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.197 10.513 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -7.748 8.701 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.420 9.172 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -6.703 9.468 -3.625 1.00 0.00 H new ATOM 401 N ALA A 701 -6.914 14.311 -5.541 1.00 0.00 N ATOM 402 CA ALA A 701 -6.809 15.104 -6.756 1.00 0.00 C ATOM 403 C ALA A 701 -5.358 15.175 -7.227 1.00 0.00 C ATOM 404 O ALA A 701 -5.114 15.091 -8.428 1.00 0.00 O ATOM 405 CB ALA A 701 -7.382 16.509 -6.529 1.00 0.00 C ATOM 0 H ALA A 701 -7.287 14.824 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.394 14.620 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -7.296 17.090 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.432 16.432 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.826 17.004 -5.733 1.00 0.00 H new ATOM 411 N GLU A 702 -4.400 15.280 -6.306 1.00 0.00 N ATOM 412 CA GLU A 702 -2.981 15.329 -6.600 1.00 0.00 C ATOM 413 C GLU A 702 -2.589 14.015 -7.261 1.00 0.00 C ATOM 414 O GLU A 702 -2.132 14.000 -8.402 1.00 0.00 O ATOM 415 CB GLU A 702 -2.154 15.620 -5.331 1.00 0.00 C ATOM 416 CG GLU A 702 -0.704 16.009 -5.650 1.00 0.00 C ATOM 417 CD GLU A 702 -0.661 17.343 -6.399 1.00 0.00 C ATOM 418 OE1 GLU A 702 -0.669 18.405 -5.737 1.00 0.00 O ATOM 419 OE2 GLU A 702 -0.759 17.331 -7.643 1.00 0.00 O ATOM 0 H GLU A 702 -4.603 15.334 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.767 16.149 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.628 16.425 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -2.158 14.739 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 702 -0.130 16.085 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 702 -0.236 15.231 -6.253 1.00 0.00 H new ATOM 426 N TRP A 703 -2.882 12.890 -6.611 1.00 0.00 N ATOM 427 CA TRP A 703 -2.650 11.552 -7.140 1.00 0.00 C ATOM 428 C TRP A 703 -3.515 11.233 -8.372 1.00 0.00 C ATOM 429 O TRP A 703 -3.375 10.137 -8.922 1.00 0.00 O ATOM 430 CB TRP A 703 -2.871 10.541 -6.006 1.00 0.00 C ATOM 431 CG TRP A 703 -2.009 10.674 -4.795 1.00 0.00 C ATOM 432 CD1 TRP A 703 -0.712 11.048 -4.730 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.417 10.420 -3.427 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.292 11.024 -3.413 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.310 10.637 -2.562 1.00 0.00 C ATOM 436 CE3 TRP A 703 -3.641 10.046 -2.846 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.408 10.446 -1.177 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -3.769 9.915 -1.460 1.00 0.00 C ATOM 439 CH2 TRP A 703 -2.654 10.091 -0.627 1.00 0.00 C ATOM 0 H TRP A 703 -3.297 12.886 -5.679 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.622 11.490 -7.498 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -3.912 10.611 -5.689 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -2.729 9.540 -6.413 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.099 11.323 -5.575 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.652 11.262 -3.107 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.495 9.857 -3.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.543 10.569 -0.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -4.730 9.677 -1.029 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -2.752 9.954 0.440 1.00 0.00 H new ATOM 450 N LYS A 704 -4.411 12.131 -8.810 1.00 0.00 N ATOM 451 CA LYS A 704 -5.120 12.038 -10.092 1.00 0.00 C ATOM 452 C LYS A 704 -4.808 13.192 -11.057 1.00 0.00 C ATOM 453 O LYS A 704 -5.386 13.231 -12.141 1.00 0.00 O ATOM 454 CB LYS A 704 -6.631 11.809 -9.891 1.00 0.00 C ATOM 455 CG LYS A 704 -7.110 10.550 -10.637 1.00 0.00 C ATOM 456 CD LYS A 704 -6.718 9.232 -9.930 1.00 0.00 C ATOM 457 CE LYS A 704 -5.915 8.260 -10.809 1.00 0.00 C ATOM 458 NZ LYS A 704 -4.502 8.661 -10.938 1.00 0.00 N ATOM 0 H LYS A 704 -4.667 12.958 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 704 -4.729 11.152 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -6.847 11.709 -8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -7.183 12.678 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.194 10.589 -10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -6.692 10.552 -11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -6.132 9.470 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -7.625 8.732 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -5.969 7.258 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -6.368 8.210 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -3.945 7.860 -11.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -4.427 9.460 -11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -4.136 8.946 -10.007 1.00 0.00 H new ATOM 472 N ARG A 705 -3.879 14.097 -10.722 1.00 0.00 N ATOM 473 CA ARG A 705 -3.338 15.115 -11.633 1.00 0.00 C ATOM 474 C ARG A 705 -1.834 14.933 -11.846 1.00 0.00 C ATOM 475 O ARG A 705 -1.206 15.786 -12.468 1.00 0.00 O ATOM 476 CB ARG A 705 -3.741 16.537 -11.173 1.00 0.00 C ATOM 477 CG ARG A 705 -2.982 17.105 -9.961 1.00 0.00 C ATOM 478 CD ARG A 705 -3.834 18.147 -9.209 1.00 0.00 C ATOM 479 NE ARG A 705 -3.202 18.628 -7.963 1.00 0.00 N ATOM 480 CZ ARG A 705 -3.824 19.227 -6.930 1.00 0.00 C ATOM 481 NH1 ARG A 705 -5.125 19.492 -6.991 1.00 0.00 N ATOM 482 NH2 ARG A 705 -3.156 19.559 -5.836 1.00 0.00 N ATOM 0 H ARG A 705 -3.473 14.143 -9.787 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.787 14.980 -12.617 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -3.604 17.219 -12.012 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -4.805 16.531 -10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -2.713 16.294 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -2.051 17.564 -10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -4.020 18.997 -9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -4.804 17.710 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 705 -2.195 18.493 -7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -5.658 19.241 -7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -5.590 19.946 -6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -2.158 19.361 -5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -3.640 20.012 -5.061 1.00 0.00 H new ATOM 496 N THR A 706 -1.262 13.823 -11.374 1.00 0.00 N ATOM 497 CA THR A 706 0.161 13.494 -11.484 1.00 0.00 C ATOM 498 C THR A 706 0.383 12.111 -12.129 1.00 0.00 C ATOM 499 O THR A 706 1.520 11.709 -12.382 1.00 0.00 O ATOM 500 CB THR A 706 0.795 13.596 -10.082 1.00 0.00 C ATOM 501 OG1 THR A 706 0.070 12.864 -9.114 1.00 0.00 O ATOM 502 CG2 THR A 706 0.879 15.058 -9.621 1.00 0.00 C ATOM 0 H THR A 706 -1.796 13.103 -10.887 1.00 0.00 H new ATOM 0 HA THR A 706 0.650 14.206 -12.149 1.00 0.00 H new ATOM 0 HB THR A 706 1.795 13.172 -10.169 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.836 13.230 -9.038 1.00 0.00 H new ATOM 0 HG21 THR A 706 1.330 15.102 -8.630 1.00 0.00 H new ATOM 0 HG22 THR A 706 1.490 15.626 -10.323 1.00 0.00 H new ATOM 0 HG23 THR A 706 -0.123 15.486 -9.583 1.00 0.00 H new ATOM 510 N GLY A 707 -0.707 11.400 -12.417 1.00 0.00 N ATOM 511 CA GLY A 707 -0.784 10.034 -12.883 1.00 0.00 C ATOM 512 C GLY A 707 -2.208 9.589 -12.594 1.00 0.00 C ATOM 513 O GLY A 707 -3.053 10.456 -12.255 1.00 0.00 O ATOM 514 OXT GLY A 707 -2.479 8.371 -12.632 1.00 0.00 O ATOM 0 H GLY A 707 -1.635 11.811 -12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -0.560 9.969 -13.948 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -0.062 9.401 -12.367 1.00 0.00 H new TER 518 GLY A 707