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 Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.6!) USER MOD Single : A -3 GLY N :NH3+ -152:sc= 1.98 (180deg=0.868) USER MOD Single : A 681 SER OG : rot 180:sc= 0.0614 USER MOD Single : A 686 GLN : amide:sc= 0.981 K(o=0.98,f=-0.0085) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 696 GLN : amide:sc= 1.23 K(o=1.2,f=-0.5) USER MOD Single : A 697 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.08) USER MOD Single : A 704 LYS NZ :NH3+ -158:sc= 1.52 (180deg=-0.0224!) USER MOD Single : A 706 THR OG1 : rot 24:sc= 0.959 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 2.388 2.874 4.436 1.00 0.00 N ATOM 2 CA GLY A -3 2.041 2.593 3.040 1.00 0.00 C ATOM 3 C GLY A -3 1.926 1.117 2.740 1.00 0.00 C ATOM 4 O GLY A -3 2.888 0.515 2.270 1.00 0.00 O ATOM 0 H1 GLY A -3 2.007 3.802 4.708 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.981 2.139 5.049 1.00 0.00 H new ATOM 0 H3 GLY A -3 3.423 2.880 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.095 3.080 2.803 1.00 0.00 H new ATOM 0 HA3 GLY A -3 2.798 3.031 2.389 1.00 0.00 H new ATOM 10 N HIS A -2 0.732 0.559 2.945 1.00 0.00 N ATOM 11 CA HIS A -2 0.344 -0.787 2.526 1.00 0.00 C ATOM 12 C HIS A -2 -0.933 -0.730 1.675 1.00 0.00 C ATOM 13 O HIS A -2 -1.183 -1.634 0.880 1.00 0.00 O ATOM 14 CB HIS A -2 0.107 -1.671 3.759 1.00 0.00 C ATOM 15 CG HIS A -2 1.267 -1.724 4.722 1.00 0.00 C ATOM 16 ND1 HIS A -2 1.514 -0.842 5.746 1.00 0.00 N ATOM 17 CD2 HIS A -2 2.260 -2.664 4.754 1.00 0.00 C ATOM 18 CE1 HIS A -2 2.624 -1.244 6.383 1.00 0.00 C ATOM 19 NE2 HIS A -2 3.117 -2.356 5.817 1.00 0.00 N ATOM 0 H HIS A -2 -0.020 1.052 3.426 1.00 0.00 H new ATOM 0 HA HIS A -2 1.149 -1.214 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -0.773 -1.306 4.289 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -0.119 -2.684 3.426 1.00 0.00 H new ATOM 0 HD1 HIS A -2 0.952 -0.024 5.981 1.00 0.00 H new ATOM 0 HD2 HIS A -2 2.365 -3.499 4.077 1.00 0.00 H new ATOM 0 HE1 HIS A -2 3.060 -0.742 7.234 1.00 0.00 H new ATOM 27 N MET A -1 -1.722 0.342 1.806 1.00 0.00 N ATOM 28 CA MET A -1 -2.925 0.620 1.021 1.00 0.00 C ATOM 29 C MET A -1 -2.959 2.099 0.568 1.00 0.00 C ATOM 30 O MET A -1 -3.902 2.531 -0.089 1.00 0.00 O ATOM 31 CB MET A -1 -4.132 0.195 1.876 1.00 0.00 C ATOM 32 CG MET A -1 -5.497 0.307 1.188 1.00 0.00 C ATOM 33 SD MET A -1 -6.878 -0.331 2.176 1.00 0.00 S ATOM 34 CE MET A -1 -8.250 0.150 1.093 1.00 0.00 C ATOM 0 H MET A -1 -1.529 1.071 2.493 1.00 0.00 H new ATOM 0 HA MET A -1 -2.944 0.051 0.092 1.00 0.00 H new ATOM 0 HB2 MET A -1 -3.987 -0.838 2.191 1.00 0.00 H new ATOM 0 HB3 MET A -1 -4.148 0.805 2.779 1.00 0.00 H new ATOM 0 HG2 MET A -1 -5.687 1.354 0.950 1.00 0.00 H new ATOM 0 HG3 MET A -1 -5.461 -0.233 0.242 1.00 0.00 H new ATOM 0 HE1 MET A -1 -9.193 -0.163 1.540 1.00 0.00 H new ATOM 0 HE2 MET A -1 -8.250 1.232 0.965 1.00 0.00 H new ATOM 0 HE3 MET A -1 -8.132 -0.330 0.122 1.00 0.00 H new ATOM 44 N PHE A 679 -1.921 2.877 0.870 1.00 0.00 N ATOM 45 CA PHE A 679 -1.700 4.263 0.447 1.00 0.00 C ATOM 46 C PHE A 679 -0.190 4.396 0.137 1.00 0.00 C ATOM 47 O PHE A 679 0.528 3.408 0.345 1.00 0.00 O ATOM 48 CB PHE A 679 -2.159 5.203 1.580 1.00 0.00 C ATOM 49 CG PHE A 679 -3.592 5.703 1.490 1.00 0.00 C ATOM 50 CD1 PHE A 679 -4.652 4.995 2.092 1.00 0.00 C ATOM 51 CD2 PHE A 679 -3.863 6.921 0.840 1.00 0.00 C ATOM 52 CE1 PHE A 679 -5.967 5.502 2.045 1.00 0.00 C ATOM 53 CE2 PHE A 679 -5.179 7.392 0.738 1.00 0.00 C ATOM 54 CZ PHE A 679 -6.233 6.682 1.337 1.00 0.00 C ATOM 0 H PHE A 679 -1.160 2.535 1.456 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.270 4.533 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.035 4.683 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.494 6.067 1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -4.456 4.058 2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -3.052 7.496 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -6.766 4.983 2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -5.384 8.304 0.197 1.00 0.00 H new ATOM 0 HZ PHE A 679 -7.247 7.045 1.252 1.00 0.00 H new ATOM 64 N PRO A 680 0.312 5.551 -0.366 1.00 0.00 N ATOM 65 CA PRO A 680 1.749 5.830 -0.474 1.00 0.00 C ATOM 66 C PRO A 680 2.591 5.355 0.718 1.00 0.00 C ATOM 67 O PRO A 680 2.091 5.224 1.832 1.00 0.00 O ATOM 68 CB PRO A 680 1.861 7.340 -0.660 1.00 0.00 C ATOM 69 CG PRO A 680 0.598 7.683 -1.442 1.00 0.00 C ATOM 70 CD PRO A 680 -0.436 6.658 -0.972 1.00 0.00 C ATOM 0 HA PRO A 680 2.160 5.266 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.899 7.863 0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 680 2.762 7.613 -1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 680 0.269 8.701 -1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 680 0.766 7.613 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.121 7.103 -0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -1.039 6.305 -1.809 1.00 0.00 H new ATOM 78 N SER A 681 3.884 5.135 0.467 1.00 0.00 N ATOM 79 CA SER A 681 4.844 4.478 1.350 1.00 0.00 C ATOM 80 C SER A 681 4.747 4.828 2.842 1.00 0.00 C ATOM 81 O SER A 681 4.898 3.931 3.671 1.00 0.00 O ATOM 82 CB SER A 681 6.256 4.762 0.818 1.00 0.00 C ATOM 83 OG SER A 681 6.312 4.624 -0.596 1.00 0.00 O ATOM 0 H SER A 681 4.312 5.429 -0.411 1.00 0.00 H new ATOM 0 HA SER A 681 4.599 3.416 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 681 6.557 5.771 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 681 6.966 4.077 1.281 1.00 0.00 H new ATOM 0 HG SER A 681 7.222 4.812 -0.907 1.00 0.00 H new ATOM 89 N ASP A 682 4.491 6.086 3.192 1.00 0.00 N ATOM 90 CA ASP A 682 4.348 6.559 4.563 1.00 0.00 C ATOM 91 C ASP A 682 2.931 6.285 5.081 1.00 0.00 C ATOM 92 O ASP A 682 2.747 5.401 5.921 1.00 0.00 O ATOM 93 CB ASP A 682 4.741 8.051 4.645 1.00 0.00 C ATOM 94 CG ASP A 682 3.889 8.979 3.768 1.00 0.00 C ATOM 95 OD1 ASP A 682 3.753 8.663 2.561 1.00 0.00 O ATOM 96 OD2 ASP A 682 3.316 9.943 4.315 1.00 0.00 O ATOM 0 H ASP A 682 4.374 6.829 2.503 1.00 0.00 H new ATOM 0 HA ASP A 682 5.027 6.010 5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 682 4.664 8.378 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.787 8.156 4.355 1.00 0.00 H new ATOM 101 N ILE A 683 1.924 6.979 4.552 1.00 0.00 N ATOM 102 CA ILE A 683 0.534 6.962 5.016 1.00 0.00 C ATOM 103 C ILE A 683 -0.110 5.575 4.896 1.00 0.00 C ATOM 104 O ILE A 683 0.308 4.722 4.122 1.00 0.00 O ATOM 105 CB ILE A 683 -0.313 8.023 4.263 1.00 0.00 C ATOM 106 CG1 ILE A 683 0.104 8.208 2.788 1.00 0.00 C ATOM 107 CG2 ILE A 683 -0.305 9.380 4.975 1.00 0.00 C ATOM 108 CD1 ILE A 683 -0.900 9.032 1.985 1.00 0.00 C ATOM 0 H ILE A 683 2.059 7.597 3.752 1.00 0.00 H new ATOM 0 HA ILE A 683 0.554 7.214 6.076 1.00 0.00 H new ATOM 0 HB ILE A 683 -1.328 7.625 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 683 1.079 8.694 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 683 0.218 7.229 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -0.910 10.090 4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -0.717 9.267 5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 683 0.718 9.749 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -0.552 9.128 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -1.870 8.535 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -0.996 10.023 2.429 1.00 0.00 H new ATOM 120 N ASP A 684 -1.193 5.354 5.638 1.00 0.00 N ATOM 121 CA ASP A 684 -2.068 4.188 5.502 1.00 0.00 C ATOM 122 C ASP A 684 -3.497 4.680 5.729 1.00 0.00 C ATOM 123 O ASP A 684 -3.652 5.815 6.185 1.00 0.00 O ATOM 124 CB ASP A 684 -1.589 3.013 6.375 1.00 0.00 C ATOM 125 CG ASP A 684 -0.856 1.996 5.490 1.00 0.00 C ATOM 126 OD1 ASP A 684 -1.412 1.593 4.440 1.00 0.00 O ATOM 127 OD2 ASP A 684 0.305 1.641 5.798 1.00 0.00 O ATOM 0 H ASP A 684 -1.496 5.997 6.370 1.00 0.00 H new ATOM 0 HA ASP A 684 -2.035 3.749 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -0.926 3.374 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -2.438 2.540 6.867 1.00 0.00 H new ATOM 132 N PRO A 685 -4.555 3.911 5.409 1.00 0.00 N ATOM 133 CA PRO A 685 -5.914 4.426 5.373 1.00 0.00 C ATOM 134 C PRO A 685 -6.345 5.087 6.654 1.00 0.00 C ATOM 135 O PRO A 685 -7.042 6.092 6.591 1.00 0.00 O ATOM 136 CB PRO A 685 -6.844 3.250 5.047 1.00 0.00 C ATOM 137 CG PRO A 685 -5.904 2.179 4.519 1.00 0.00 C ATOM 138 CD PRO A 685 -4.611 2.472 5.272 1.00 0.00 C ATOM 0 HA PRO A 685 -5.962 5.206 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -7.382 2.909 5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -7.593 3.526 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -6.275 1.175 4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -5.770 2.253 3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.607 1.985 6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -3.746 2.097 4.725 1.00 0.00 H new ATOM 146 N GLN A 686 -5.929 4.529 7.794 1.00 0.00 N ATOM 147 CA GLN A 686 -6.349 5.099 9.054 1.00 0.00 C ATOM 148 C GLN A 686 -5.816 6.532 9.121 1.00 0.00 C ATOM 149 O GLN A 686 -6.587 7.485 9.178 1.00 0.00 O ATOM 150 CB GLN A 686 -5.871 4.238 10.234 1.00 0.00 C ATOM 151 CG GLN A 686 -6.703 4.550 11.484 1.00 0.00 C ATOM 152 CD GLN A 686 -5.954 4.164 12.752 1.00 0.00 C ATOM 153 OE1 GLN A 686 -6.024 3.024 13.199 1.00 0.00 O ATOM 154 NE2 GLN A 686 -5.214 5.088 13.335 1.00 0.00 N ATOM 0 H GLN A 686 -5.323 3.711 7.861 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.437 5.120 9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -5.960 3.181 9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -4.817 4.431 10.432 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -6.943 5.613 11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -7.649 4.011 11.439 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -5.172 6.029 12.944 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -4.684 4.861 14.176 1.00 0.00 H new ATOM 163 N VAL A 687 -4.500 6.661 8.944 1.00 0.00 N ATOM 164 CA VAL A 687 -3.766 7.906 9.105 1.00 0.00 C ATOM 165 C VAL A 687 -4.202 8.907 8.034 1.00 0.00 C ATOM 166 O VAL A 687 -4.256 10.104 8.301 1.00 0.00 O ATOM 167 CB VAL A 687 -2.248 7.628 9.068 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.432 8.853 9.498 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.848 6.454 9.985 1.00 0.00 C ATOM 0 H VAL A 687 -3.904 5.877 8.677 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.991 8.349 10.075 1.00 0.00 H new ATOM 0 HB VAL A 687 -2.027 7.377 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.369 8.615 9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.643 9.685 8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -1.703 9.132 10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.771 6.296 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -2.125 6.685 11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.365 5.550 9.665 1.00 0.00 H new ATOM 179 N PHE A 688 -4.530 8.427 6.831 1.00 0.00 N ATOM 180 CA PHE A 688 -4.973 9.270 5.743 1.00 0.00 C ATOM 181 C PHE A 688 -6.387 9.802 5.975 1.00 0.00 C ATOM 182 O PHE A 688 -6.668 10.944 5.626 1.00 0.00 O ATOM 183 CB PHE A 688 -4.925 8.518 4.414 1.00 0.00 C ATOM 184 CG PHE A 688 -5.211 9.467 3.272 1.00 0.00 C ATOM 185 CD1 PHE A 688 -4.215 10.382 2.890 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.493 9.541 2.695 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.492 11.350 1.916 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.757 10.486 1.687 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.749 11.381 1.293 1.00 0.00 C ATOM 0 H PHE A 688 -4.492 7.436 6.594 1.00 0.00 H new ATOM 0 HA PHE A 688 -4.289 10.117 5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.945 8.061 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -5.656 7.710 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -3.237 10.339 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -7.274 8.872 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.737 12.073 1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.729 10.523 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 688 -5.942 12.096 0.507 1.00 0.00 H new ATOM 199 N TYR A 689 -7.283 9.000 6.551 1.00 0.00 N ATOM 200 CA TYR A 689 -8.641 9.442 6.822 1.00 0.00 C ATOM 201 C TYR A 689 -8.719 10.231 8.138 1.00 0.00 C ATOM 202 O TYR A 689 -9.689 10.959 8.342 1.00 0.00 O ATOM 203 CB TYR A 689 -9.589 8.236 6.780 1.00 0.00 C ATOM 204 CG TYR A 689 -9.771 7.559 5.427 1.00 0.00 C ATOM 205 CD1 TYR A 689 -10.022 8.318 4.268 1.00 0.00 C ATOM 206 CD2 TYR A 689 -9.720 6.153 5.324 1.00 0.00 C ATOM 207 CE1 TYR A 689 -10.166 7.692 3.017 1.00 0.00 C ATOM 208 CE2 TYR A 689 -9.849 5.517 4.076 1.00 0.00 C ATOM 209 CZ TYR A 689 -10.061 6.287 2.915 1.00 0.00 C ATOM 210 OH TYR A 689 -10.166 5.676 1.703 1.00 0.00 O ATOM 0 H TYR A 689 -7.087 8.041 6.837 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.962 10.138 6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -9.225 7.491 7.488 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.568 8.559 7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -10.105 9.392 4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -9.580 5.558 6.214 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -10.357 8.285 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -9.786 4.441 4.008 1.00 0.00 H new ATOM 0 HH TYR A 689 -10.069 4.707 1.815 1.00 0.00 H new ATOM 220 N GLU A 690 -7.709 10.132 9.010 1.00 0.00 N ATOM 221 CA GLU A 690 -7.541 10.989 10.190 1.00 0.00 C ATOM 222 C GLU A 690 -7.129 12.420 9.777 1.00 0.00 C ATOM 223 O GLU A 690 -7.173 13.344 10.594 1.00 0.00 O ATOM 224 CB GLU A 690 -6.501 10.349 11.136 1.00 0.00 C ATOM 225 CG GLU A 690 -7.051 9.131 11.905 1.00 0.00 C ATOM 226 CD GLU A 690 -5.959 8.303 12.609 1.00 0.00 C ATOM 227 OE1 GLU A 690 -5.267 7.489 11.949 1.00 0.00 O ATOM 228 OE2 GLU A 690 -5.857 8.408 13.850 1.00 0.00 O ATOM 0 H GLU A 690 -6.968 9.438 8.913 1.00 0.00 H new ATOM 0 HA GLU A 690 -8.491 11.072 10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -5.631 10.042 10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -6.159 11.098 11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -7.770 9.475 12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -7.593 8.488 11.211 1.00 0.00 H new ATOM 235 N LEU A 691 -6.736 12.627 8.510 1.00 0.00 N ATOM 236 CA LEU A 691 -6.429 13.942 7.959 1.00 0.00 C ATOM 237 C LEU A 691 -7.732 14.730 7.736 1.00 0.00 C ATOM 238 O LEU A 691 -8.763 14.123 7.449 1.00 0.00 O ATOM 239 CB LEU A 691 -5.701 13.810 6.612 1.00 0.00 C ATOM 240 CG LEU A 691 -4.392 13.001 6.620 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.731 13.021 5.237 1.00 0.00 C ATOM 242 CD2 LEU A 691 -3.378 13.462 7.674 1.00 0.00 C ATOM 0 H LEU A 691 -6.623 11.870 7.836 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.787 14.465 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -6.384 13.349 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.482 14.812 6.242 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.685 11.985 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.807 12.443 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.409 12.585 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.506 14.050 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.484 12.842 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -3.111 14.503 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.818 13.370 8.667 1.00 0.00 H new ATOM 254 N PRO A 692 -7.719 16.076 7.777 1.00 0.00 N ATOM 255 CA PRO A 692 -8.876 16.899 7.426 1.00 0.00 C ATOM 256 C PRO A 692 -9.372 16.596 6.010 1.00 0.00 C ATOM 257 O PRO A 692 -8.566 16.209 5.159 1.00 0.00 O ATOM 258 CB PRO A 692 -8.401 18.358 7.525 1.00 0.00 C ATOM 259 CG PRO A 692 -7.142 18.287 8.386 1.00 0.00 C ATOM 260 CD PRO A 692 -6.568 16.912 8.047 1.00 0.00 C ATOM 0 HA PRO A 692 -9.712 16.696 8.095 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -8.187 18.774 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -9.160 18.993 7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.442 19.087 8.144 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -7.374 18.377 9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -5.907 16.964 7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.979 16.516 8.875 1.00 0.00 H new ATOM 268 N GLU A 693 -10.654 16.867 5.728 1.00 0.00 N ATOM 269 CA GLU A 693 -11.241 16.705 4.396 1.00 0.00 C ATOM 270 C GLU A 693 -10.381 17.379 3.342 1.00 0.00 C ATOM 271 O GLU A 693 -10.136 16.782 2.295 1.00 0.00 O ATOM 272 CB GLU A 693 -12.726 17.155 4.378 1.00 0.00 C ATOM 273 CG GLU A 693 -13.198 18.055 3.207 1.00 0.00 C ATOM 274 CD GLU A 693 -12.619 19.481 3.239 1.00 0.00 C ATOM 275 OE1 GLU A 693 -12.282 19.948 4.351 1.00 0.00 O ATOM 276 OE2 GLU A 693 -12.397 20.048 2.140 1.00 0.00 O ATOM 0 H GLU A 693 -11.316 17.207 6.426 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.254 15.645 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.347 16.259 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -12.926 17.686 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -12.920 17.583 2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -14.286 18.115 3.225 1.00 0.00 H new ATOM 283 N ALA A 694 -9.876 18.578 3.640 1.00 0.00 N ATOM 284 CA ALA A 694 -9.116 19.325 2.672 1.00 0.00 C ATOM 285 C ALA A 694 -7.876 18.546 2.301 1.00 0.00 C ATOM 286 O ALA A 694 -7.683 18.193 1.141 1.00 0.00 O ATOM 287 CB ALA A 694 -8.802 20.728 3.208 1.00 0.00 C ATOM 0 H ALA A 694 -9.986 19.039 4.543 1.00 0.00 H new ATOM 0 HA ALA A 694 -9.699 19.466 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -8.227 21.281 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -9.733 21.256 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -8.222 20.645 4.127 1.00 0.00 H new ATOM 293 N VAL A 695 -7.092 18.144 3.298 1.00 0.00 N ATOM 294 CA VAL A 695 -5.884 17.403 3.015 1.00 0.00 C ATOM 295 C VAL A 695 -6.215 16.097 2.281 1.00 0.00 C ATOM 296 O VAL A 695 -5.427 15.691 1.432 1.00 0.00 O ATOM 297 CB VAL A 695 -5.057 17.181 4.291 1.00 0.00 C ATOM 298 CG1 VAL A 695 -3.723 16.492 3.959 1.00 0.00 C ATOM 299 CG2 VAL A 695 -4.753 18.503 5.017 1.00 0.00 C ATOM 0 H VAL A 695 -7.273 18.318 4.287 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.257 17.993 2.346 1.00 0.00 H new ATOM 0 HB VAL A 695 -5.657 16.548 4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.152 16.344 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -3.918 15.526 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.152 17.117 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.167 18.300 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.188 19.160 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -5.688 18.987 5.298 1.00 0.00 H new ATOM 309 N GLN A 696 -7.364 15.456 2.536 1.00 0.00 N ATOM 310 CA GLN A 696 -7.661 14.209 1.858 1.00 0.00 C ATOM 311 C GLN A 696 -7.907 14.503 0.389 1.00 0.00 C ATOM 312 O GLN A 696 -7.258 13.953 -0.495 1.00 0.00 O ATOM 313 CB GLN A 696 -8.902 13.532 2.444 1.00 0.00 C ATOM 314 CG GLN A 696 -8.652 12.960 3.835 1.00 0.00 C ATOM 315 CD GLN A 696 -9.929 12.341 4.391 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.693 11.701 3.673 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.191 12.525 5.672 1.00 0.00 N ATOM 0 H GLN A 696 -8.078 15.777 3.190 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.814 13.535 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.717 14.254 2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -9.224 12.732 1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -7.865 12.207 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.302 13.748 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.545 13.059 6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.039 12.133 6.080 1.00 0.00 H new ATOM 326 N LYS A 697 -8.853 15.392 0.127 1.00 0.00 N ATOM 327 CA LYS A 697 -9.378 15.636 -1.199 1.00 0.00 C ATOM 328 C LYS A 697 -8.397 16.422 -2.076 1.00 0.00 C ATOM 329 O LYS A 697 -8.337 16.150 -3.275 1.00 0.00 O ATOM 330 CB LYS A 697 -10.834 16.093 -1.002 1.00 0.00 C ATOM 331 CG LYS A 697 -11.439 17.057 -2.025 1.00 0.00 C ATOM 332 CD LYS A 697 -10.916 18.469 -1.780 1.00 0.00 C ATOM 333 CE LYS A 697 -11.499 19.052 -0.492 1.00 0.00 C ATOM 334 NZ LYS A 697 -10.975 20.389 -0.173 1.00 0.00 N ATOM 0 H LYS A 697 -9.283 15.973 0.847 1.00 0.00 H new ATOM 0 HA LYS A 697 -9.455 14.761 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -11.461 15.202 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.905 16.563 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -11.185 16.736 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -12.526 17.045 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -9.828 18.452 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -11.176 19.109 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -12.584 19.106 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -11.282 18.377 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -11.381 20.716 0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -9.939 20.345 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -11.233 21.053 -0.931 1.00 0.00 H new ATOM 348 N GLU A 698 -7.562 17.298 -1.512 1.00 0.00 N ATOM 349 CA GLU A 698 -6.479 17.913 -2.263 1.00 0.00 C ATOM 350 C GLU A 698 -5.437 16.845 -2.605 1.00 0.00 C ATOM 351 O GLU A 698 -4.969 16.827 -3.737 1.00 0.00 O ATOM 352 CB GLU A 698 -5.847 19.088 -1.496 1.00 0.00 C ATOM 353 CG GLU A 698 -6.505 20.448 -1.793 1.00 0.00 C ATOM 354 CD GLU A 698 -7.969 20.578 -1.351 1.00 0.00 C ATOM 355 OE1 GLU A 698 -8.247 20.619 -0.135 1.00 0.00 O ATOM 356 OE2 GLU A 698 -8.872 20.679 -2.208 1.00 0.00 O ATOM 0 H GLU A 698 -7.620 17.594 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.883 18.329 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -5.912 18.889 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -4.787 19.145 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -5.924 21.229 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -6.448 20.634 -2.866 1.00 0.00 H new ATOM 363 N LEU A 699 -5.119 15.912 -1.691 1.00 0.00 N ATOM 364 CA LEU A 699 -4.218 14.793 -1.996 1.00 0.00 C ATOM 365 C LEU A 699 -4.843 13.889 -3.067 1.00 0.00 C ATOM 366 O LEU A 699 -4.123 13.413 -3.945 1.00 0.00 O ATOM 367 CB LEU A 699 -3.867 13.976 -0.736 1.00 0.00 C ATOM 368 CG LEU A 699 -2.826 14.539 0.270 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.514 13.754 0.199 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.521 16.040 0.144 1.00 0.00 C ATOM 0 H LEU A 699 -5.474 15.913 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.288 15.212 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.793 13.806 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.509 13.001 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 699 -3.308 14.412 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.803 14.169 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.702 12.708 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.101 13.826 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.783 16.325 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.128 16.249 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.436 16.612 0.300 1.00 0.00 H new ATOM 382 N LEU A 700 -6.167 13.678 -3.051 1.00 0.00 N ATOM 383 CA LEU A 700 -6.827 12.909 -4.103 1.00 0.00 C ATOM 384 C LEU A 700 -6.659 13.608 -5.449 1.00 0.00 C ATOM 385 O LEU A 700 -6.406 12.928 -6.440 1.00 0.00 O ATOM 386 CB LEU A 700 -8.333 12.666 -3.860 1.00 0.00 C ATOM 387 CG LEU A 700 -8.758 11.917 -2.581 1.00 0.00 C ATOM 388 CD1 LEU A 700 -10.201 11.422 -2.724 1.00 0.00 C ATOM 389 CD2 LEU A 700 -7.851 10.736 -2.227 1.00 0.00 C ATOM 0 H LEU A 700 -6.793 14.028 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 700 -6.340 11.934 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.830 13.636 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.722 12.112 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 700 -8.671 12.635 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -10.496 10.894 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -10.864 12.273 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -10.271 10.747 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -8.213 10.259 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -7.860 10.013 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -6.833 11.093 -2.069 1.00 0.00 H new ATOM 401 N ALA A 701 -6.802 14.935 -5.509 1.00 0.00 N ATOM 402 CA ALA A 701 -6.623 15.687 -6.745 1.00 0.00 C ATOM 403 C ALA A 701 -5.154 15.664 -7.190 1.00 0.00 C ATOM 404 O ALA A 701 -4.867 15.481 -8.377 1.00 0.00 O ATOM 405 CB ALA A 701 -7.114 17.126 -6.546 1.00 0.00 C ATOM 0 H ALA A 701 -7.044 15.512 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.212 15.220 -7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -6.980 17.687 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.170 17.116 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.541 17.599 -5.748 1.00 0.00 H new ATOM 411 N GLU A 702 -4.233 15.826 -6.240 1.00 0.00 N ATOM 412 CA GLU A 702 -2.797 15.847 -6.462 1.00 0.00 C ATOM 413 C GLU A 702 -2.361 14.528 -7.093 1.00 0.00 C ATOM 414 O GLU A 702 -1.779 14.528 -8.177 1.00 0.00 O ATOM 415 CB GLU A 702 -2.098 16.125 -5.116 1.00 0.00 C ATOM 416 CG GLU A 702 -0.568 16.000 -5.110 1.00 0.00 C ATOM 417 CD GLU A 702 0.157 16.914 -6.101 1.00 0.00 C ATOM 418 OE1 GLU A 702 -0.470 17.764 -6.772 1.00 0.00 O ATOM 419 OE2 GLU A 702 1.377 16.732 -6.288 1.00 0.00 O ATOM 0 H GLU A 702 -4.482 15.951 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.515 16.639 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.361 17.133 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -2.501 15.438 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 702 -0.204 16.216 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 702 -0.302 14.966 -5.330 1.00 0.00 H new ATOM 426 N TRP A 703 -2.715 13.397 -6.478 1.00 0.00 N ATOM 427 CA TRP A 703 -2.398 12.088 -7.028 1.00 0.00 C ATOM 428 C TRP A 703 -3.166 11.841 -8.328 1.00 0.00 C ATOM 429 O TRP A 703 -2.602 11.226 -9.234 1.00 0.00 O ATOM 430 CB TRP A 703 -2.669 11.012 -5.967 1.00 0.00 C ATOM 431 CG TRP A 703 -1.930 11.163 -4.683 1.00 0.00 C ATOM 432 CD1 TRP A 703 -0.685 11.659 -4.497 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.417 10.804 -3.365 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.359 11.588 -3.159 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.375 11.022 -2.420 1.00 0.00 C ATOM 436 CE3 TRP A 703 -3.647 10.319 -2.886 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.529 10.697 -1.067 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -3.825 10.035 -1.528 1.00 0.00 C ATOM 439 CH2 TRP A 703 -2.764 10.195 -0.622 1.00 0.00 C ATOM 0 H TRP A 703 -3.224 13.368 -5.594 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.340 12.044 -7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -3.737 11.004 -5.750 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -2.423 10.039 -6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.046 12.050 -5.275 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.524 11.914 -2.766 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.464 10.164 -3.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.710 10.830 -0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -4.785 9.690 -1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -2.897 9.932 0.417 1.00 0.00 H new ATOM 450 N LYS A 704 -4.387 12.376 -8.488 1.00 0.00 N ATOM 451 CA LYS A 704 -5.132 12.288 -9.747 1.00 0.00 C ATOM 452 C LYS A 704 -4.383 12.959 -10.899 1.00 0.00 C ATOM 453 O LYS A 704 -4.586 12.540 -12.044 1.00 0.00 O ATOM 454 CB LYS A 704 -6.573 12.820 -9.579 1.00 0.00 C ATOM 455 CG LYS A 704 -7.515 12.759 -10.799 1.00 0.00 C ATOM 456 CD LYS A 704 -8.202 11.404 -11.047 1.00 0.00 C ATOM 457 CE LYS A 704 -7.275 10.203 -11.258 1.00 0.00 C ATOM 458 NZ LYS A 704 -6.366 10.341 -12.416 1.00 0.00 N ATOM 0 H LYS A 704 -4.881 12.879 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 704 -5.214 11.235 -10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -7.042 12.264 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -6.510 13.860 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.286 13.519 -10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -6.944 13.024 -11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -8.852 11.190 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -8.843 11.500 -11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -6.679 10.054 -10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -7.882 9.307 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -6.051 9.399 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -6.867 10.812 -13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -5.539 10.910 -12.143 1.00 0.00 H new ATOM 472 N ARG A 705 -3.509 13.944 -10.646 1.00 0.00 N ATOM 473 CA ARG A 705 -2.627 14.479 -11.694 1.00 0.00 C ATOM 474 C ARG A 705 -1.618 13.454 -12.228 1.00 0.00 C ATOM 475 O ARG A 705 -0.975 13.747 -13.234 1.00 0.00 O ATOM 476 CB ARG A 705 -1.803 15.681 -11.210 1.00 0.00 C ATOM 477 CG ARG A 705 -2.573 16.826 -10.544 1.00 0.00 C ATOM 478 CD ARG A 705 -1.687 18.065 -10.343 1.00 0.00 C ATOM 479 NE ARG A 705 -0.509 17.802 -9.495 1.00 0.00 N ATOM 480 CZ ARG A 705 0.737 17.495 -9.866 1.00 0.00 C ATOM 481 NH1 ARG A 705 1.066 17.415 -11.160 1.00 0.00 N ATOM 482 NH2 ARG A 705 1.656 17.275 -8.937 1.00 0.00 N ATOM 0 H ARG A 705 -3.394 14.383 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.319 14.769 -12.485 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -1.056 15.318 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -1.262 16.088 -12.064 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -3.435 17.090 -11.157 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -2.958 16.493 -9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -1.354 18.428 -11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -2.281 18.860 -9.893 1.00 0.00 H new ATOM 0 HE ARG A 705 -0.667 17.863 -8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 705 0.362 17.589 -11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 705 2.021 17.180 -11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 705 1.409 17.341 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 705 2.610 17.040 -9.209 1.00 0.00 H new ATOM 496 N THR A 706 -1.440 12.307 -11.573 1.00 0.00 N ATOM 497 CA THR A 706 -0.359 11.362 -11.852 1.00 0.00 C ATOM 498 C THR A 706 -0.824 9.913 -12.029 1.00 0.00 C ATOM 499 O THR A 706 -0.081 9.125 -12.613 1.00 0.00 O ATOM 500 CB THR A 706 0.702 11.486 -10.739 1.00 0.00 C ATOM 501 OG1 THR A 706 0.137 11.701 -9.458 1.00 0.00 O ATOM 502 CG2 THR A 706 1.644 12.670 -10.997 1.00 0.00 C ATOM 0 H THR A 706 -2.055 12.003 -10.819 1.00 0.00 H new ATOM 0 HA THR A 706 0.071 11.628 -12.818 1.00 0.00 H new ATOM 0 HB THR A 706 1.235 10.536 -10.756 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.781 11.360 -9.444 1.00 0.00 H new ATOM 0 HG21 THR A 706 2.380 12.731 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 706 2.155 12.527 -11.949 1.00 0.00 H new ATOM 0 HG23 THR A 706 1.067 13.594 -11.030 1.00 0.00 H new ATOM 510 N GLY A 707 -2.031 9.560 -11.589 1.00 0.00 N ATOM 511 CA GLY A 707 -2.623 8.246 -11.759 1.00 0.00 C ATOM 512 C GLY A 707 -4.109 8.440 -11.607 1.00 0.00 C ATOM 513 O GLY A 707 -4.857 8.084 -12.539 1.00 0.00 O ATOM 514 OXT GLY A 707 -4.520 9.136 -10.657 1.00 0.00 O ATOM 0 H GLY A 707 -2.639 10.208 -11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -2.381 7.832 -12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -2.242 7.547 -11.015 1.00 0.00 H new TER 518 GLY A 707