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= 1.32 K(o=1.8,f=-2.9) USER MOD Set 1.2: A 697 LYS NZ :NH3+ -145:sc= 0.458 (180deg=-0.651!) USER MOD Set 2.1: A -3 GLY N :NH3+ 175:sc= 0.619 (180deg=0.379) USER MOD Set 2.2: A 706 THR OG1 : rot -110:sc= 1.35 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HE2:sc= -1.68! C(o=-1.7!,f=-6.3!) USER MOD Single : A 681 SER OG : rot 58:sc= 0.0138 USER MOD Single : A 686 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.38) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 704 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -0.299 9.386 -8.922 1.00 0.00 N ATOM 2 CA GLY A -3 0.466 8.164 -9.144 1.00 0.00 C ATOM 3 C GLY A -3 0.036 7.153 -8.110 1.00 0.00 C ATOM 4 O GLY A -3 0.414 7.310 -6.953 1.00 0.00 O ATOM 0 H1 GLY A -3 0.038 10.129 -9.568 1.00 0.00 H new ATOM 0 H2 GLY A -3 -1.307 9.202 -9.101 1.00 0.00 H new ATOM 0 H3 GLY A -3 -0.174 9.700 -7.938 1.00 0.00 H new ATOM 0 HA2 GLY A -3 0.289 7.781 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.535 8.363 -9.062 1.00 0.00 H new ATOM 10 N HIS A -2 -0.734 6.136 -8.510 1.00 0.00 N ATOM 11 CA HIS A -2 -1.387 5.180 -7.618 1.00 0.00 C ATOM 12 C HIS A -2 -2.410 5.894 -6.708 1.00 0.00 C ATOM 13 O HIS A -2 -2.768 7.050 -6.949 1.00 0.00 O ATOM 14 CB HIS A -2 -0.342 4.289 -6.907 1.00 0.00 C ATOM 15 CG HIS A -2 -0.940 3.154 -6.115 1.00 0.00 C ATOM 16 ND1 HIS A -2 -0.827 2.964 -4.754 1.00 0.00 N ATOM 17 CD2 HIS A -2 -1.866 2.252 -6.571 1.00 0.00 C ATOM 18 CE1 HIS A -2 -1.662 1.974 -4.399 1.00 0.00 C ATOM 19 NE2 HIS A -2 -2.342 1.535 -5.472 1.00 0.00 N ATOM 0 H HIS A -2 -0.924 5.952 -9.495 1.00 0.00 H new ATOM 0 HA HIS A -2 -1.988 4.474 -8.191 1.00 0.00 H new ATOM 0 HB2 HIS A -2 0.338 3.879 -7.653 1.00 0.00 H new ATOM 0 HB3 HIS A -2 0.255 4.910 -6.239 1.00 0.00 H new ATOM 0 HD1 HIS A -2 -0.215 3.485 -4.126 1.00 0.00 H new ATOM 0 HD2 HIS A -2 -2.173 2.120 -7.598 1.00 0.00 H new ATOM 0 HE1 HIS A -2 -1.771 1.587 -3.397 1.00 0.00 H new ATOM 27 N MET A -1 -2.978 5.184 -5.728 1.00 0.00 N ATOM 28 CA MET A -1 -4.065 5.669 -4.883 1.00 0.00 C ATOM 29 C MET A -1 -3.572 6.035 -3.481 1.00 0.00 C ATOM 30 O MET A -1 -4.189 6.877 -2.832 1.00 0.00 O ATOM 31 CB MET A -1 -5.162 4.592 -4.827 1.00 0.00 C ATOM 32 CG MET A -1 -6.496 5.132 -4.299 1.00 0.00 C ATOM 33 SD MET A -1 -7.266 6.391 -5.358 1.00 0.00 S ATOM 34 CE MET A -1 -8.653 6.858 -4.290 1.00 0.00 C ATOM 0 H MET A -1 -2.685 4.234 -5.498 1.00 0.00 H new ATOM 0 HA MET A -1 -4.473 6.584 -5.314 1.00 0.00 H new ATOM 0 HB2 MET A -1 -5.311 4.179 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A -1 -4.829 3.773 -4.190 1.00 0.00 H new ATOM 0 HG2 MET A -1 -7.190 4.300 -4.181 1.00 0.00 H new ATOM 0 HG3 MET A -1 -6.336 5.557 -3.308 1.00 0.00 H new ATOM 0 HE1 MET A -1 -9.246 7.630 -4.780 1.00 0.00 H new ATOM 0 HE2 MET A -1 -9.278 5.985 -4.103 1.00 0.00 H new ATOM 0 HE3 MET A -1 -8.271 7.240 -3.343 1.00 0.00 H new ATOM 44 N PHE A 679 -2.448 5.460 -3.045 1.00 0.00 N ATOM 45 CA PHE A 679 -1.769 5.830 -1.806 1.00 0.00 C ATOM 46 C PHE A 679 -0.264 5.524 -1.919 1.00 0.00 C ATOM 47 O PHE A 679 0.105 4.661 -2.726 1.00 0.00 O ATOM 48 CB PHE A 679 -2.364 5.065 -0.599 1.00 0.00 C ATOM 49 CG PHE A 679 -3.457 5.800 0.166 1.00 0.00 C ATOM 50 CD1 PHE A 679 -3.228 7.123 0.586 1.00 0.00 C ATOM 51 CD2 PHE A 679 -4.678 5.169 0.504 1.00 0.00 C ATOM 52 CE1 PHE A 679 -4.223 7.834 1.263 1.00 0.00 C ATOM 53 CE2 PHE A 679 -5.662 5.874 1.227 1.00 0.00 C ATOM 54 CZ PHE A 679 -5.438 7.209 1.584 1.00 0.00 C ATOM 0 H PHE A 679 -1.978 4.711 -3.554 1.00 0.00 H new ATOM 0 HA PHE A 679 -1.914 6.898 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.768 4.117 -0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.556 4.828 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -2.277 7.593 0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -4.856 4.146 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -4.057 8.865 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -6.585 5.386 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 679 -6.204 7.761 2.109 1.00 0.00 H new ATOM 64 N PRO A 680 0.595 6.240 -1.159 1.00 0.00 N ATOM 65 CA PRO A 680 2.015 5.941 -0.954 1.00 0.00 C ATOM 66 C PRO A 680 2.212 4.651 -0.125 1.00 0.00 C ATOM 67 O PRO A 680 1.312 3.811 -0.041 1.00 0.00 O ATOM 68 CB PRO A 680 2.585 7.162 -0.215 1.00 0.00 C ATOM 69 CG PRO A 680 1.589 8.278 -0.465 1.00 0.00 C ATOM 70 CD PRO A 680 0.284 7.498 -0.503 1.00 0.00 C ATOM 0 HA PRO A 680 2.523 5.764 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 680 2.693 6.962 0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 680 3.573 7.424 -0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 680 1.600 9.026 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 680 1.783 8.803 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -0.101 7.330 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -0.483 8.046 -1.050 1.00 0.00 H new ATOM 78 N SER A 681 3.377 4.497 0.517 1.00 0.00 N ATOM 79 CA SER A 681 3.748 3.315 1.288 1.00 0.00 C ATOM 80 C SER A 681 4.381 3.755 2.616 1.00 0.00 C ATOM 81 O SER A 681 5.489 3.332 2.951 1.00 0.00 O ATOM 82 CB SER A 681 4.663 2.422 0.432 1.00 0.00 C ATOM 83 OG SER A 681 5.826 3.105 -0.003 1.00 0.00 O ATOM 0 H SER A 681 4.103 5.213 0.511 1.00 0.00 H new ATOM 0 HA SER A 681 2.874 2.716 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 681 4.954 1.544 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 681 4.109 2.063 -0.435 1.00 0.00 H new ATOM 0 HG SER A 681 6.325 3.429 0.775 1.00 0.00 H new ATOM 89 N ASP A 682 3.713 4.671 3.321 1.00 0.00 N ATOM 90 CA ASP A 682 4.252 5.371 4.488 1.00 0.00 C ATOM 91 C ASP A 682 3.105 5.798 5.396 1.00 0.00 C ATOM 92 O ASP A 682 3.042 5.369 6.547 1.00 0.00 O ATOM 93 CB ASP A 682 5.124 6.569 4.055 1.00 0.00 C ATOM 94 CG ASP A 682 4.552 7.341 2.861 1.00 0.00 C ATOM 95 OD1 ASP A 682 3.557 8.077 3.049 1.00 0.00 O ATOM 96 OD2 ASP A 682 5.053 7.111 1.736 1.00 0.00 O ATOM 0 H ASP A 682 2.760 4.953 3.090 1.00 0.00 H new ATOM 0 HA ASP A 682 4.900 4.698 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 682 5.236 7.250 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 682 6.121 6.210 3.801 1.00 0.00 H new ATOM 101 N ILE A 683 2.168 6.590 4.884 1.00 0.00 N ATOM 102 CA ILE A 683 0.919 6.894 5.557 1.00 0.00 C ATOM 103 C ILE A 683 0.048 5.645 5.575 1.00 0.00 C ATOM 104 O ILE A 683 -0.180 5.010 4.544 1.00 0.00 O ATOM 105 CB ILE A 683 0.177 8.068 4.882 1.00 0.00 C ATOM 106 CG1 ILE A 683 -0.034 7.902 3.360 1.00 0.00 C ATOM 107 CG2 ILE A 683 0.847 9.407 5.212 1.00 0.00 C ATOM 108 CD1 ILE A 683 -0.699 9.109 2.699 1.00 0.00 C ATOM 0 H ILE A 683 2.261 7.044 3.975 1.00 0.00 H new ATOM 0 HA ILE A 683 1.139 7.204 6.579 1.00 0.00 H new ATOM 0 HB ILE A 683 -0.826 8.061 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 683 0.931 7.724 2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -0.645 7.018 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 683 0.304 10.216 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 683 0.837 9.563 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 683 1.877 9.396 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -0.815 8.921 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -1.679 9.275 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -0.078 9.993 2.847 1.00 0.00 H new ATOM 120 N ASP A 684 -0.446 5.293 6.756 1.00 0.00 N ATOM 121 CA ASP A 684 -1.479 4.279 6.863 1.00 0.00 C ATOM 122 C ASP A 684 -2.777 4.943 6.366 1.00 0.00 C ATOM 123 O ASP A 684 -2.996 6.125 6.665 1.00 0.00 O ATOM 124 CB ASP A 684 -1.585 3.802 8.312 1.00 0.00 C ATOM 125 CG ASP A 684 -2.861 2.992 8.496 1.00 0.00 C ATOM 126 OD1 ASP A 684 -3.896 3.617 8.800 1.00 0.00 O ATOM 127 OD2 ASP A 684 -2.846 1.769 8.255 1.00 0.00 O ATOM 0 H ASP A 684 -0.148 5.694 7.646 1.00 0.00 H new ATOM 0 HA ASP A 684 -1.262 3.393 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -0.717 3.194 8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -1.586 4.658 8.987 1.00 0.00 H new ATOM 132 N PRO A 685 -3.638 4.252 5.595 1.00 0.00 N ATOM 133 CA PRO A 685 -4.822 4.857 5.001 1.00 0.00 C ATOM 134 C PRO A 685 -5.742 5.462 6.052 1.00 0.00 C ATOM 135 O PRO A 685 -6.333 6.513 5.812 1.00 0.00 O ATOM 136 CB PRO A 685 -5.539 3.730 4.244 1.00 0.00 C ATOM 137 CG PRO A 685 -4.448 2.691 4.020 1.00 0.00 C ATOM 138 CD PRO A 685 -3.625 2.838 5.294 1.00 0.00 C ATOM 0 HA PRO A 685 -4.540 5.677 4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -6.367 3.322 4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -5.955 4.083 3.300 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -4.855 1.686 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -3.861 2.899 3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.056 2.258 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -2.607 2.476 5.149 1.00 0.00 H new ATOM 146 N GLN A 686 -5.871 4.822 7.217 1.00 0.00 N ATOM 147 CA GLN A 686 -6.733 5.332 8.266 1.00 0.00 C ATOM 148 C GLN A 686 -6.140 6.622 8.839 1.00 0.00 C ATOM 149 O GLN A 686 -6.878 7.585 9.029 1.00 0.00 O ATOM 150 CB GLN A 686 -6.987 4.302 9.382 1.00 0.00 C ATOM 151 CG GLN A 686 -7.807 3.067 8.963 1.00 0.00 C ATOM 152 CD GLN A 686 -7.144 2.115 7.962 1.00 0.00 C ATOM 153 OE1 GLN A 686 -7.778 1.679 7.007 1.00 0.00 O ATOM 154 NE2 GLN A 686 -5.891 1.733 8.146 1.00 0.00 N ATOM 0 H GLN A 686 -5.388 3.954 7.449 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.704 5.544 7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -6.025 3.965 9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -7.504 4.800 10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -8.054 2.500 9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -8.748 3.411 8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -5.359 2.093 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -5.456 1.079 7.495 1.00 0.00 H new ATOM 163 N VAL A 687 -4.818 6.676 9.038 1.00 0.00 N ATOM 164 CA VAL A 687 -4.134 7.877 9.522 1.00 0.00 C ATOM 165 C VAL A 687 -4.315 9.008 8.510 1.00 0.00 C ATOM 166 O VAL A 687 -4.557 10.152 8.889 1.00 0.00 O ATOM 167 CB VAL A 687 -2.638 7.579 9.783 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.872 8.825 10.258 1.00 0.00 C ATOM 169 CG2 VAL A 687 -2.479 6.499 10.866 1.00 0.00 C ATOM 0 H VAL A 687 -4.194 5.888 8.868 1.00 0.00 H new ATOM 0 HA VAL A 687 -4.572 8.191 10.469 1.00 0.00 H new ATOM 0 HB VAL A 687 -2.227 7.241 8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.827 8.567 10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.934 9.603 9.497 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -2.311 9.190 11.186 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -1.420 6.305 11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -2.936 6.844 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.969 5.582 10.540 1.00 0.00 H new ATOM 179 N PHE A 688 -4.227 8.711 7.213 1.00 0.00 N ATOM 180 CA PHE A 688 -4.518 9.697 6.191 1.00 0.00 C ATOM 181 C PHE A 688 -5.965 10.179 6.244 1.00 0.00 C ATOM 182 O PHE A 688 -6.224 11.354 6.008 1.00 0.00 O ATOM 183 CB PHE A 688 -4.249 9.106 4.814 1.00 0.00 C ATOM 184 CG PHE A 688 -4.618 10.083 3.726 1.00 0.00 C ATOM 185 CD1 PHE A 688 -3.700 11.073 3.343 1.00 0.00 C ATOM 186 CD2 PHE A 688 -5.898 10.042 3.137 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.028 11.954 2.308 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.210 10.899 2.072 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.258 11.836 1.641 1.00 0.00 C ATOM 0 H PHE A 688 -3.957 7.796 6.853 1.00 0.00 H new ATOM 0 HA PHE A 688 -3.869 10.553 6.378 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.195 8.841 4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -4.821 8.186 4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -2.747 11.154 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -6.640 9.349 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.332 12.728 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.174 10.839 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 688 -5.472 12.469 0.793 1.00 0.00 H new ATOM 199 N TYR A 689 -6.924 9.292 6.485 1.00 0.00 N ATOM 200 CA TYR A 689 -8.321 9.687 6.507 1.00 0.00 C ATOM 201 C TYR A 689 -8.694 10.414 7.811 1.00 0.00 C ATOM 202 O TYR A 689 -9.766 11.015 7.863 1.00 0.00 O ATOM 203 CB TYR A 689 -9.199 8.480 6.159 1.00 0.00 C ATOM 204 CG TYR A 689 -9.229 8.098 4.685 1.00 0.00 C ATOM 205 CD1 TYR A 689 -9.563 9.051 3.705 1.00 0.00 C ATOM 206 CD2 TYR A 689 -8.965 6.772 4.295 1.00 0.00 C ATOM 207 CE1 TYR A 689 -9.590 8.701 2.344 1.00 0.00 C ATOM 208 CE2 TYR A 689 -8.993 6.408 2.936 1.00 0.00 C ATOM 209 CZ TYR A 689 -9.289 7.374 1.952 1.00 0.00 C ATOM 210 OH TYR A 689 -9.285 7.030 0.635 1.00 0.00 O ATOM 0 H TYR A 689 -6.758 8.302 6.666 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.508 10.435 5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -8.850 7.621 6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.218 8.688 6.484 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -9.801 10.062 4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -8.739 6.028 5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -9.840 9.442 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -8.788 5.388 2.646 1.00 0.00 H new ATOM 0 HH TYR A 689 -9.057 6.081 0.545 1.00 0.00 H new ATOM 220 N GLU A 690 -7.831 10.416 8.835 1.00 0.00 N ATOM 221 CA GLU A 690 -7.984 11.265 10.020 1.00 0.00 C ATOM 222 C GLU A 690 -7.664 12.731 9.672 1.00 0.00 C ATOM 223 O GLU A 690 -8.124 13.658 10.345 1.00 0.00 O ATOM 224 CB GLU A 690 -7.075 10.720 11.140 1.00 0.00 C ATOM 225 CG GLU A 690 -7.419 11.285 12.530 1.00 0.00 C ATOM 226 CD GLU A 690 -6.517 10.732 13.646 1.00 0.00 C ATOM 227 OE1 GLU A 690 -6.308 9.496 13.683 1.00 0.00 O ATOM 228 OE2 GLU A 690 -6.066 11.549 14.483 1.00 0.00 O ATOM 0 H GLU A 690 -7.001 9.823 8.863 1.00 0.00 H new ATOM 0 HA GLU A 690 -9.015 11.243 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -7.155 9.633 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -6.038 10.958 10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -7.332 12.371 12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -8.458 11.053 12.763 1.00 0.00 H new ATOM 235 N LEU A 691 -6.914 12.969 8.588 1.00 0.00 N ATOM 236 CA LEU A 691 -6.624 14.313 8.101 1.00 0.00 C ATOM 237 C LEU A 691 -7.934 15.019 7.722 1.00 0.00 C ATOM 238 O LEU A 691 -8.867 14.351 7.270 1.00 0.00 O ATOM 239 CB LEU A 691 -5.691 14.269 6.881 1.00 0.00 C ATOM 240 CG LEU A 691 -4.324 13.595 7.116 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.511 13.636 5.819 1.00 0.00 C ATOM 242 CD2 LEU A 691 -3.507 14.249 8.239 1.00 0.00 C ATOM 0 H LEU A 691 -6.493 12.229 8.026 1.00 0.00 H new ATOM 0 HA LEU A 691 -6.124 14.865 8.897 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.202 13.744 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.520 15.290 6.539 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.528 12.570 7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.544 13.160 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.050 13.104 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.360 14.672 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.558 13.725 8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -3.318 15.293 7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -4.064 14.193 9.174 1.00 0.00 H new ATOM 254 N PRO A 692 -8.005 16.362 7.815 1.00 0.00 N ATOM 255 CA PRO A 692 -9.195 17.122 7.461 1.00 0.00 C ATOM 256 C PRO A 692 -9.650 16.794 6.048 1.00 0.00 C ATOM 257 O PRO A 692 -8.811 16.602 5.166 1.00 0.00 O ATOM 258 CB PRO A 692 -8.815 18.606 7.554 1.00 0.00 C ATOM 259 CG PRO A 692 -7.567 18.611 8.434 1.00 0.00 C ATOM 260 CD PRO A 692 -6.915 17.260 8.132 1.00 0.00 C ATOM 0 HA PRO A 692 -10.017 16.876 8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -8.612 19.029 6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -9.617 19.197 7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.905 19.441 8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -7.820 18.708 9.490 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -6.218 17.339 7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -6.347 16.899 8.989 1.00 0.00 H new ATOM 268 N GLU A 693 -10.965 16.855 5.832 1.00 0.00 N ATOM 269 CA GLU A 693 -11.641 16.654 4.558 1.00 0.00 C ATOM 270 C GLU A 693 -10.798 17.169 3.395 1.00 0.00 C ATOM 271 O GLU A 693 -10.316 16.405 2.562 1.00 0.00 O ATOM 272 CB GLU A 693 -13.009 17.367 4.661 1.00 0.00 C ATOM 273 CG GLU A 693 -13.851 17.396 3.375 1.00 0.00 C ATOM 274 CD GLU A 693 -14.204 16.007 2.852 1.00 0.00 C ATOM 275 OE1 GLU A 693 -14.064 15.005 3.588 1.00 0.00 O ATOM 276 OE2 GLU A 693 -14.471 15.883 1.640 1.00 0.00 O ATOM 0 H GLU A 693 -11.620 17.058 6.587 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.790 15.594 4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.592 16.881 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -12.838 18.394 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -14.771 17.950 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -13.305 17.939 2.604 1.00 0.00 H new ATOM 283 N ALA A 694 -10.539 18.472 3.383 1.00 0.00 N ATOM 284 CA ALA A 694 -9.895 19.099 2.254 1.00 0.00 C ATOM 285 C ALA A 694 -8.427 18.725 2.101 1.00 0.00 C ATOM 286 O ALA A 694 -7.929 18.729 0.977 1.00 0.00 O ATOM 287 CB ALA A 694 -10.044 20.608 2.413 1.00 0.00 C ATOM 0 H ALA A 694 -10.769 19.108 4.147 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.380 18.741 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -9.566 21.111 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -11.102 20.869 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.571 20.924 3.342 1.00 0.00 H new ATOM 293 N VAL A 695 -7.745 18.382 3.196 1.00 0.00 N ATOM 294 CA VAL A 695 -6.377 17.912 3.092 1.00 0.00 C ATOM 295 C VAL A 695 -6.386 16.594 2.334 1.00 0.00 C ATOM 296 O VAL A 695 -5.595 16.418 1.405 1.00 0.00 O ATOM 297 CB VAL A 695 -5.716 17.777 4.475 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.328 17.122 4.393 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.594 19.155 5.146 1.00 0.00 C ATOM 0 H VAL A 695 -8.116 18.422 4.145 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.777 18.640 2.547 1.00 0.00 H new ATOM 0 HB VAL A 695 -6.357 17.130 5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.901 17.048 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.421 16.125 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.676 17.728 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -5.125 19.043 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.985 19.810 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.586 19.590 5.267 1.00 0.00 H new ATOM 309 N GLN A 696 -7.307 15.688 2.689 1.00 0.00 N ATOM 310 CA GLN A 696 -7.427 14.428 1.984 1.00 0.00 C ATOM 311 C GLN A 696 -7.663 14.714 0.504 1.00 0.00 C ATOM 312 O GLN A 696 -7.005 14.151 -0.364 1.00 0.00 O ATOM 313 CB GLN A 696 -8.606 13.584 2.481 1.00 0.00 C ATOM 314 CG GLN A 696 -8.682 13.229 3.966 1.00 0.00 C ATOM 315 CD GLN A 696 -10.090 12.734 4.310 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.879 12.368 3.429 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.452 12.738 5.575 1.00 0.00 N ATOM 0 H GLN A 696 -7.969 15.812 3.455 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.505 13.873 2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.523 14.112 2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -8.605 12.651 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.948 12.459 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.435 14.102 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.794 13.041 6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.391 12.438 5.838 1.00 0.00 H new ATOM 326 N LYS A 697 -8.626 15.591 0.212 1.00 0.00 N ATOM 327 CA LYS A 697 -9.096 15.781 -1.155 1.00 0.00 C ATOM 328 C LYS A 697 -8.026 16.403 -2.042 1.00 0.00 C ATOM 329 O LYS A 697 -7.988 16.031 -3.212 1.00 0.00 O ATOM 330 CB LYS A 697 -10.425 16.559 -1.203 1.00 0.00 C ATOM 331 CG LYS A 697 -11.655 15.641 -1.055 1.00 0.00 C ATOM 332 CD LYS A 697 -11.749 14.956 0.310 1.00 0.00 C ATOM 333 CE LYS A 697 -12.844 13.897 0.360 1.00 0.00 C ATOM 334 NZ LYS A 697 -13.016 13.333 1.722 1.00 0.00 N ATOM 0 H LYS A 697 -9.092 16.178 0.904 1.00 0.00 H new ATOM 0 HA LYS A 697 -9.301 14.792 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.435 17.304 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.491 17.100 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.558 16.229 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -11.624 14.878 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -10.791 14.494 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -11.939 15.707 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -13.786 14.334 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -12.603 13.094 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -13.262 12.325 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -12.129 13.437 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -13.778 13.841 2.215 1.00 0.00 H new ATOM 348 N GLU A 698 -7.153 17.274 -1.532 1.00 0.00 N ATOM 349 CA GLU A 698 -6.029 17.750 -2.326 1.00 0.00 C ATOM 350 C GLU A 698 -5.060 16.598 -2.590 1.00 0.00 C ATOM 351 O GLU A 698 -4.744 16.343 -3.740 1.00 0.00 O ATOM 352 CB GLU A 698 -5.337 18.955 -1.666 1.00 0.00 C ATOM 353 CG GLU A 698 -4.003 19.361 -2.330 1.00 0.00 C ATOM 354 CD GLU A 698 -4.021 19.431 -3.869 1.00 0.00 C ATOM 355 OE1 GLU A 698 -5.082 19.684 -4.481 1.00 0.00 O ATOM 356 OE2 GLU A 698 -2.965 19.207 -4.500 1.00 0.00 O ATOM 0 H GLU A 698 -7.204 17.656 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.403 18.106 -3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.016 19.807 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -5.152 18.724 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -3.707 20.336 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -3.235 18.650 -2.025 1.00 0.00 H new ATOM 363 N LEU A 699 -4.637 15.849 -1.567 1.00 0.00 N ATOM 364 CA LEU A 699 -3.714 14.728 -1.742 1.00 0.00 C ATOM 365 C LEU A 699 -4.283 13.671 -2.691 1.00 0.00 C ATOM 366 O LEU A 699 -3.548 13.131 -3.513 1.00 0.00 O ATOM 367 CB LEU A 699 -3.415 14.142 -0.356 1.00 0.00 C ATOM 368 CG LEU A 699 -2.261 14.796 0.427 1.00 0.00 C ATOM 369 CD1 LEU A 699 -0.915 14.238 -0.034 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.233 16.325 0.393 1.00 0.00 C ATOM 0 H LEU A 699 -4.924 16.003 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 699 -2.790 15.078 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.320 14.211 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.191 13.082 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 699 -2.448 14.533 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.112 14.712 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -0.891 13.161 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -0.781 14.442 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.384 16.686 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.138 16.664 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.157 16.715 0.820 1.00 0.00 H new ATOM 382 N LEU A 700 -5.584 13.392 -2.623 1.00 0.00 N ATOM 383 CA LEU A 700 -6.260 12.465 -3.520 1.00 0.00 C ATOM 384 C LEU A 700 -6.296 13.041 -4.938 1.00 0.00 C ATOM 385 O LEU A 700 -6.053 12.301 -5.891 1.00 0.00 O ATOM 386 CB LEU A 700 -7.685 12.186 -3.005 1.00 0.00 C ATOM 387 CG LEU A 700 -7.733 11.381 -1.688 1.00 0.00 C ATOM 388 CD1 LEU A 700 -9.109 11.531 -1.019 1.00 0.00 C ATOM 389 CD2 LEU A 700 -7.459 9.891 -1.913 1.00 0.00 C ATOM 0 H LEU A 700 -6.205 13.812 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 700 -5.712 11.523 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.199 13.136 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.237 11.642 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 700 -6.952 11.785 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -9.127 10.958 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -9.294 12.582 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -9.883 11.159 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -7.503 9.365 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.210 9.481 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -6.469 9.765 -2.351 1.00 0.00 H new ATOM 401 N ALA A 701 -6.604 14.334 -5.098 1.00 0.00 N ATOM 402 CA ALA A 701 -6.631 14.989 -6.400 1.00 0.00 C ATOM 403 C ALA A 701 -5.228 15.130 -6.985 1.00 0.00 C ATOM 404 O ALA A 701 -5.096 15.124 -8.207 1.00 0.00 O ATOM 405 CB ALA A 701 -7.288 16.367 -6.287 1.00 0.00 C ATOM 0 H ALA A 701 -6.841 14.952 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.217 14.363 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -7.302 16.845 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.310 16.254 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.721 16.984 -5.590 1.00 0.00 H new ATOM 411 N GLU A 702 -4.194 15.226 -6.152 1.00 0.00 N ATOM 412 CA GLU A 702 -2.805 15.175 -6.558 1.00 0.00 C ATOM 413 C GLU A 702 -2.534 13.773 -7.071 1.00 0.00 C ATOM 414 O GLU A 702 -2.281 13.586 -8.257 1.00 0.00 O ATOM 415 CB GLU A 702 -1.873 15.579 -5.398 1.00 0.00 C ATOM 416 CG GLU A 702 -0.380 15.327 -5.675 1.00 0.00 C ATOM 417 CD GLU A 702 0.024 15.582 -7.132 1.00 0.00 C ATOM 418 OE1 GLU A 702 -0.234 16.705 -7.631 1.00 0.00 O ATOM 419 OE2 GLU A 702 0.519 14.616 -7.755 1.00 0.00 O ATOM 0 H GLU A 702 -4.311 15.345 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.603 15.893 -7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.018 16.637 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -2.164 15.028 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 702 0.215 15.967 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 702 -0.139 14.296 -5.415 1.00 0.00 H new ATOM 426 N TRP A 703 -2.691 12.758 -6.223 1.00 0.00 N ATOM 427 CA TRP A 703 -2.424 11.394 -6.627 1.00 0.00 C ATOM 428 C TRP A 703 -3.272 10.974 -7.831 1.00 0.00 C ATOM 429 O TRP A 703 -2.872 10.029 -8.498 1.00 0.00 O ATOM 430 CB TRP A 703 -2.606 10.447 -5.431 1.00 0.00 C ATOM 431 CG TRP A 703 -1.666 10.598 -4.279 1.00 0.00 C ATOM 432 CD1 TRP A 703 -0.345 10.884 -4.303 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.016 10.484 -2.875 1.00 0.00 C ATOM 434 NE1 TRP A 703 0.138 10.956 -3.009 1.00 0.00 N ATOM 435 CE2 TRP A 703 -0.862 10.744 -2.084 1.00 0.00 C ATOM 436 CE3 TRP A 703 -3.220 10.210 -2.199 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -0.908 10.752 -0.683 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -3.291 10.261 -0.801 1.00 0.00 C ATOM 439 CH2 TRP A 703 -2.139 10.535 -0.045 1.00 0.00 C ATOM 0 H TRP A 703 -3.001 12.862 -5.257 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.387 11.331 -6.956 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -3.621 10.572 -5.055 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -2.526 9.424 -5.798 1.00 0.00 H new ATOM 0 HD1 TRP A 703 0.243 11.033 -5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 703 1.112 11.143 -2.769 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.103 9.956 -2.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.012 10.922 -0.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -4.234 10.089 -0.303 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -2.201 10.579 1.032 1.00 0.00 H new ATOM 450 N LYS A 704 -4.402 11.610 -8.166 1.00 0.00 N ATOM 451 CA LYS A 704 -5.085 11.350 -9.441 1.00 0.00 C ATOM 452 C LYS A 704 -4.596 12.246 -10.563 1.00 0.00 C ATOM 453 O LYS A 704 -4.553 11.767 -11.694 1.00 0.00 O ATOM 454 CB LYS A 704 -6.595 11.517 -9.308 1.00 0.00 C ATOM 455 CG LYS A 704 -7.228 10.428 -8.446 1.00 0.00 C ATOM 456 CD LYS A 704 -7.148 8.992 -9.004 1.00 0.00 C ATOM 457 CE LYS A 704 -6.262 8.037 -8.182 1.00 0.00 C ATOM 458 NZ LYS A 704 -4.834 8.083 -8.561 1.00 0.00 N ATOM 0 H LYS A 704 -4.861 12.304 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 704 -4.846 10.317 -9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -6.813 12.493 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -7.048 11.501 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -6.749 10.443 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -8.277 10.679 -8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -8.155 8.579 -9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -6.767 9.033 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -6.357 8.286 -7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -6.629 7.018 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -4.316 7.336 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -4.742 7.935 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -4.438 9.011 -8.308 1.00 0.00 H new ATOM 472 N ARG A 705 -4.218 13.506 -10.320 1.00 0.00 N ATOM 473 CA ARG A 705 -3.703 14.317 -11.418 1.00 0.00 C ATOM 474 C ARG A 705 -2.379 13.752 -11.934 1.00 0.00 C ATOM 475 O ARG A 705 -2.016 14.024 -13.075 1.00 0.00 O ATOM 476 CB ARG A 705 -3.621 15.823 -11.101 1.00 0.00 C ATOM 477 CG ARG A 705 -2.384 16.265 -10.301 1.00 0.00 C ATOM 478 CD ARG A 705 -2.431 17.732 -9.860 1.00 0.00 C ATOM 479 NE ARG A 705 -3.536 18.005 -8.920 1.00 0.00 N ATOM 480 CZ ARG A 705 -3.422 18.437 -7.653 1.00 0.00 C ATOM 481 NH1 ARG A 705 -2.251 18.513 -7.044 1.00 0.00 N ATOM 482 NH2 ARG A 705 -4.520 18.789 -6.998 1.00 0.00 N ATOM 0 H ARG A 705 -4.257 13.968 -9.411 1.00 0.00 H new ATOM 0 HA ARG A 705 -4.436 14.250 -12.222 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -3.641 16.376 -12.040 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -4.513 16.108 -10.544 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -2.287 15.632 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -1.493 16.105 -10.908 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -1.484 17.997 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -2.540 18.369 -10.738 1.00 0.00 H new ATOM 0 HE ARG A 705 -4.482 17.850 -9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -1.401 18.239 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -2.198 18.845 -6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -5.429 18.729 -7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -4.456 19.120 -6.035 1.00 0.00 H new ATOM 496 N THR A 706 -1.692 12.934 -11.132 1.00 0.00 N ATOM 497 CA THR A 706 -0.469 12.240 -11.505 1.00 0.00 C ATOM 498 C THR A 706 -0.707 10.737 -11.736 1.00 0.00 C ATOM 499 O THR A 706 0.234 9.951 -11.596 1.00 0.00 O ATOM 500 CB THR A 706 0.608 12.555 -10.447 1.00 0.00 C ATOM 501 OG1 THR A 706 0.136 12.344 -9.123 1.00 0.00 O ATOM 502 CG2 THR A 706 1.105 13.992 -10.627 1.00 0.00 C ATOM 0 H THR A 706 -1.986 12.734 -10.176 1.00 0.00 H new ATOM 0 HA THR A 706 -0.108 12.599 -12.469 1.00 0.00 H new ATOM 0 HB THR A 706 1.439 11.866 -10.598 1.00 0.00 H new ATOM 0 HG1 THR A 706 0.039 13.207 -8.669 1.00 0.00 H new ATOM 0 HG21 THR A 706 1.866 14.210 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 706 1.533 14.107 -11.623 1.00 0.00 H new ATOM 0 HG23 THR A 706 0.270 14.683 -10.509 1.00 0.00 H new ATOM 510 N GLY A 707 -1.940 10.293 -12.010 1.00 0.00 N ATOM 511 CA GLY A 707 -2.246 8.907 -12.346 1.00 0.00 C ATOM 512 C GLY A 707 -2.909 8.220 -11.177 1.00 0.00 C ATOM 513 O GLY A 707 -2.182 7.743 -10.278 1.00 0.00 O ATOM 514 OXT GLY A 707 -4.154 8.202 -11.135 1.00 0.00 O ATOM 0 H GLY A 707 -2.761 10.899 -12.003 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -2.901 8.873 -13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -1.331 8.380 -12.615 1.00 0.00 H new TER 518 GLY A 707