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= 1.03 K(o=1.2,f=-2.6) USER MOD Set 1.2: A 697 LYS NZ :NH3+ 154:sc= 0.139 (180deg=-0.696) USER MOD Single : A -1 MET CE :methyl 172:sc= 0 (180deg=-0.0541) USER MOD Single : A -2 HIS : no HE2:sc= 0.735 K(o=0.74,f=-2.6!) USER MOD Single : A -3 GLY N :NH3+ 142:sc= 0.365 (180deg=-1.07) USER MOD Single : A 681 SER OG : rot -3:sc= 1.2 USER MOD Single : A 686 GLN : amide:sc= 1.09 K(o=1.1,f=-0.009) USER MOD Single : A 689 TYR OH : rot 180:sc= 0 USER MOD Single : A 704 LYS NZ :NH3+ 172:sc= 0.936 (180deg=0.17!) USER MOD Single : A 706 THR OG1 : rot -103:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.936 2.617 5.083 1.00 0.00 N ATOM 2 CA GLY A -3 2.472 1.263 5.238 1.00 0.00 C ATOM 3 C GLY A -3 2.114 0.406 4.042 1.00 0.00 C ATOM 4 O GLY A -3 3.019 0.035 3.294 1.00 0.00 O ATOM 0 H1 GLY A -3 1.601 2.965 6.004 1.00 0.00 H new ATOM 0 H2 GLY A -3 2.682 3.247 4.725 1.00 0.00 H new ATOM 0 H3 GLY A -3 1.143 2.602 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A -3 3.555 1.306 5.350 1.00 0.00 H new ATOM 0 HA3 GLY A -3 2.075 0.811 6.147 1.00 0.00 H new ATOM 10 N HIS A -2 0.838 0.034 3.862 1.00 0.00 N ATOM 11 CA HIS A -2 0.440 -0.966 2.863 1.00 0.00 C ATOM 12 C HIS A -2 -0.847 -0.629 2.104 1.00 0.00 C ATOM 13 O HIS A -2 -1.079 -1.243 1.067 1.00 0.00 O ATOM 14 CB HIS A -2 0.280 -2.348 3.536 1.00 0.00 C ATOM 15 CG HIS A -2 1.554 -3.092 3.879 1.00 0.00 C ATOM 16 ND1 HIS A -2 2.851 -2.735 3.574 1.00 0.00 N ATOM 17 CD2 HIS A -2 1.620 -4.312 4.500 1.00 0.00 C ATOM 18 CE1 HIS A -2 3.670 -3.706 4.011 1.00 0.00 C ATOM 19 NE2 HIS A -2 2.965 -4.695 4.583 1.00 0.00 N ATOM 0 H HIS A -2 0.060 0.415 4.400 1.00 0.00 H new ATOM 0 HA HIS A -2 1.241 -0.974 2.124 1.00 0.00 H new ATOM 0 HB2 HIS A -2 -0.293 -2.215 4.454 1.00 0.00 H new ATOM 0 HB3 HIS A -2 -0.316 -2.980 2.877 1.00 0.00 H new ATOM 0 HD1 HIS A -2 3.139 -1.880 3.098 1.00 0.00 H new ATOM 0 HD2 HIS A -2 0.778 -4.882 4.864 1.00 0.00 H new ATOM 0 HE1 HIS A -2 4.746 -3.693 3.915 1.00 0.00 H new ATOM 27 N MET A -1 -1.683 0.309 2.563 1.00 0.00 N ATOM 28 CA MET A -1 -3.025 0.514 1.991 1.00 0.00 C ATOM 29 C MET A -1 -3.255 1.962 1.543 1.00 0.00 C ATOM 30 O MET A -1 -4.378 2.346 1.229 1.00 0.00 O ATOM 31 CB MET A -1 -4.099 0.060 2.987 1.00 0.00 C ATOM 32 CG MET A -1 -3.900 -1.364 3.513 1.00 0.00 C ATOM 33 SD MET A -1 -5.202 -1.932 4.643 1.00 0.00 S ATOM 34 CE MET A -1 -6.565 -2.195 3.475 1.00 0.00 C ATOM 0 H MET A -1 -1.456 0.941 3.331 1.00 0.00 H new ATOM 0 HA MET A -1 -3.098 -0.099 1.093 1.00 0.00 H new ATOM 0 HB2 MET A -1 -4.111 0.749 3.831 1.00 0.00 H new ATOM 0 HB3 MET A -1 -5.076 0.126 2.507 1.00 0.00 H new ATOM 0 HG2 MET A -1 -3.847 -2.048 2.666 1.00 0.00 H new ATOM 0 HG3 MET A -1 -2.940 -1.418 4.027 1.00 0.00 H new ATOM 0 HE1 MET A -1 -7.396 -2.679 3.988 1.00 0.00 H new ATOM 0 HE2 MET A -1 -6.894 -1.235 3.078 1.00 0.00 H new ATOM 0 HE3 MET A -1 -6.225 -2.829 2.656 1.00 0.00 H new ATOM 44 N PHE A 679 -2.196 2.767 1.532 1.00 0.00 N ATOM 45 CA PHE A 679 -2.077 4.108 0.970 1.00 0.00 C ATOM 46 C PHE A 679 -0.590 4.218 0.546 1.00 0.00 C ATOM 47 O PHE A 679 0.200 3.382 0.999 1.00 0.00 O ATOM 48 CB PHE A 679 -2.500 5.150 2.028 1.00 0.00 C ATOM 49 CG PHE A 679 -3.902 5.722 1.866 1.00 0.00 C ATOM 50 CD1 PHE A 679 -5.006 5.097 2.480 1.00 0.00 C ATOM 51 CD2 PHE A 679 -4.106 6.911 1.141 1.00 0.00 C ATOM 52 CE1 PHE A 679 -6.299 5.648 2.367 1.00 0.00 C ATOM 53 CE2 PHE A 679 -5.408 7.412 0.962 1.00 0.00 C ATOM 54 CZ PHE A 679 -6.505 6.783 1.571 1.00 0.00 C ATOM 0 H PHE A 679 -1.318 2.468 1.956 1.00 0.00 H new ATOM 0 HA PHE A 679 -2.726 4.294 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 679 -2.426 4.691 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 679 -1.786 5.974 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 679 -4.860 4.187 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 679 -3.262 7.439 0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 679 -7.128 5.197 2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 679 -5.565 8.288 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 679 -7.502 7.171 1.427 1.00 0.00 H new ATOM 64 N PRO A 680 -0.185 5.197 -0.296 1.00 0.00 N ATOM 65 CA PRO A 680 1.123 5.305 -0.942 1.00 0.00 C ATOM 66 C PRO A 680 2.278 4.425 -0.464 1.00 0.00 C ATOM 67 O PRO A 680 2.613 3.471 -1.166 1.00 0.00 O ATOM 68 CB PRO A 680 1.398 6.806 -0.971 1.00 0.00 C ATOM 69 CG PRO A 680 0.035 7.271 -1.485 1.00 0.00 C ATOM 70 CD PRO A 680 -0.962 6.335 -0.785 1.00 0.00 C ATOM 0 HA PRO A 680 1.067 4.855 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.642 7.211 0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 680 2.217 7.074 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 680 -0.152 8.315 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 680 -0.033 7.188 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 680 -1.463 6.846 0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 680 -1.738 6.007 -1.476 1.00 0.00 H new ATOM 78 N SER A 681 2.905 4.708 0.677 1.00 0.00 N ATOM 79 CA SER A 681 3.903 3.817 1.277 1.00 0.00 C ATOM 80 C SER A 681 4.092 4.146 2.754 1.00 0.00 C ATOM 81 O SER A 681 4.154 3.246 3.588 1.00 0.00 O ATOM 82 CB SER A 681 5.260 3.952 0.564 1.00 0.00 C ATOM 83 OG SER A 681 5.227 3.450 -0.758 1.00 0.00 O ATOM 0 H SER A 681 2.737 5.560 1.213 1.00 0.00 H new ATOM 0 HA SER A 681 3.538 2.795 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 681 5.554 5.001 0.544 1.00 0.00 H new ATOM 0 HB3 SER A 681 6.021 3.419 1.133 1.00 0.00 H new ATOM 0 HG SER A 681 4.343 3.067 -0.941 1.00 0.00 H new ATOM 89 N ASP A 682 4.135 5.431 3.095 1.00 0.00 N ATOM 90 CA ASP A 682 4.257 5.952 4.448 1.00 0.00 C ATOM 91 C ASP A 682 2.882 5.940 5.118 1.00 0.00 C ATOM 92 O ASP A 682 2.669 5.182 6.068 1.00 0.00 O ATOM 93 CB ASP A 682 4.885 7.364 4.406 1.00 0.00 C ATOM 94 CG ASP A 682 4.064 8.390 3.613 1.00 0.00 C ATOM 95 OD1 ASP A 682 3.607 8.024 2.501 1.00 0.00 O ATOM 96 OD2 ASP A 682 3.816 9.484 4.151 1.00 0.00 O ATOM 0 H ASP A 682 4.083 6.173 2.397 1.00 0.00 H new ATOM 0 HA ASP A 682 4.919 5.324 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 682 5.010 7.725 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 682 5.881 7.295 3.968 1.00 0.00 H new ATOM 101 N ILE A 683 1.923 6.681 4.564 1.00 0.00 N ATOM 102 CA ILE A 683 0.551 6.776 5.044 1.00 0.00 C ATOM 103 C ILE A 683 -0.163 5.421 4.984 1.00 0.00 C ATOM 104 O ILE A 683 0.181 4.541 4.197 1.00 0.00 O ATOM 105 CB ILE A 683 -0.234 7.867 4.270 1.00 0.00 C ATOM 106 CG1 ILE A 683 0.115 7.944 2.767 1.00 0.00 C ATOM 107 CG2 ILE A 683 -0.015 9.252 4.888 1.00 0.00 C ATOM 108 CD1 ILE A 683 -0.851 8.837 1.993 1.00 0.00 C ATOM 0 H ILE A 683 2.090 7.253 3.736 1.00 0.00 H new ATOM 0 HA ILE A 683 0.587 7.073 6.092 1.00 0.00 H new ATOM 0 HB ILE A 683 -1.279 7.568 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 683 1.130 8.324 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 683 0.100 6.941 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -0.578 9.995 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -0.357 9.247 5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 683 1.046 9.500 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -0.564 8.859 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -1.863 8.443 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -0.817 9.848 2.399 1.00 0.00 H new ATOM 120 N ASP A 684 -1.196 5.272 5.807 1.00 0.00 N ATOM 121 CA ASP A 684 -2.137 4.155 5.837 1.00 0.00 C ATOM 122 C ASP A 684 -3.521 4.778 6.031 1.00 0.00 C ATOM 123 O ASP A 684 -3.593 5.964 6.360 1.00 0.00 O ATOM 124 CB ASP A 684 -1.733 3.107 6.892 1.00 0.00 C ATOM 125 CG ASP A 684 -0.939 1.956 6.261 1.00 0.00 C ATOM 126 OD1 ASP A 684 -1.260 1.513 5.133 1.00 0.00 O ATOM 127 OD2 ASP A 684 0.095 1.561 6.831 1.00 0.00 O ATOM 0 H ASP A 684 -1.413 5.972 6.516 1.00 0.00 H new ATOM 0 HA ASP A 684 -2.139 3.580 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 684 -1.133 3.582 7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 684 -2.626 2.712 7.376 1.00 0.00 H new ATOM 132 N PRO A 685 -4.635 4.051 5.820 1.00 0.00 N ATOM 133 CA PRO A 685 -5.966 4.637 5.755 1.00 0.00 C ATOM 134 C PRO A 685 -6.361 5.390 7.001 1.00 0.00 C ATOM 135 O PRO A 685 -7.037 6.407 6.891 1.00 0.00 O ATOM 136 CB PRO A 685 -6.944 3.481 5.492 1.00 0.00 C ATOM 137 CG PRO A 685 -6.051 2.324 5.050 1.00 0.00 C ATOM 138 CD PRO A 685 -4.757 2.613 5.805 1.00 0.00 C ATOM 0 HA PRO A 685 -5.984 5.382 4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 685 -7.510 3.227 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 685 -7.669 3.741 4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 685 -6.474 1.356 5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 685 -5.900 2.315 3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 685 -4.795 2.211 6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 685 -3.902 2.151 5.311 1.00 0.00 H new ATOM 146 N GLN A 686 -5.944 4.888 8.165 1.00 0.00 N ATOM 147 CA GLN A 686 -6.281 5.556 9.406 1.00 0.00 C ATOM 148 C GLN A 686 -5.642 6.949 9.372 1.00 0.00 C ATOM 149 O GLN A 686 -6.347 7.951 9.396 1.00 0.00 O ATOM 150 CB GLN A 686 -5.815 4.725 10.611 1.00 0.00 C ATOM 151 CG GLN A 686 -6.523 5.183 11.892 1.00 0.00 C ATOM 152 CD GLN A 686 -5.724 4.804 13.130 1.00 0.00 C ATOM 153 OE1 GLN A 686 -5.913 3.732 13.695 1.00 0.00 O ATOM 154 NE2 GLN A 686 -4.798 5.649 13.544 1.00 0.00 N ATOM 0 H GLN A 686 -5.386 4.040 8.266 1.00 0.00 H new ATOM 0 HA GLN A 686 -7.361 5.662 9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 686 -6.022 3.670 10.433 1.00 0.00 H new ATOM 0 HB3 GLN A 686 -4.736 4.823 10.731 1.00 0.00 H new ATOM 0 HG2 GLN A 686 -6.666 6.263 11.865 1.00 0.00 H new ATOM 0 HG3 GLN A 686 -7.514 4.732 11.944 1.00 0.00 H new ATOM 0 HE21 GLN A 686 -4.661 6.534 13.056 1.00 0.00 H new ATOM 0 HE22 GLN A 686 -4.220 5.416 14.351 1.00 0.00 H new ATOM 163 N VAL A 687 -4.327 6.970 9.145 1.00 0.00 N ATOM 164 CA VAL A 687 -3.493 8.165 9.174 1.00 0.00 C ATOM 165 C VAL A 687 -3.994 9.153 8.127 1.00 0.00 C ATOM 166 O VAL A 687 -4.023 10.357 8.367 1.00 0.00 O ATOM 167 CB VAL A 687 -2.014 7.771 8.944 1.00 0.00 C ATOM 168 CG1 VAL A 687 -1.073 8.958 9.197 1.00 0.00 C ATOM 169 CG2 VAL A 687 -1.562 6.595 9.832 1.00 0.00 C ATOM 0 H VAL A 687 -3.799 6.124 8.929 1.00 0.00 H new ATOM 0 HA VAL A 687 -3.555 8.650 10.148 1.00 0.00 H new ATOM 0 HB VAL A 687 -1.956 7.461 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 687 -0.042 8.648 9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 687 -1.324 9.772 8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 687 -1.184 9.298 10.227 1.00 0.00 H new ATOM 0 HG21 VAL A 687 -0.517 6.364 9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 687 -1.673 6.868 10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 687 -2.176 5.720 9.617 1.00 0.00 H new ATOM 179 N PHE A 688 -4.393 8.642 6.959 1.00 0.00 N ATOM 180 CA PHE A 688 -4.848 9.468 5.866 1.00 0.00 C ATOM 181 C PHE A 688 -6.204 10.100 6.160 1.00 0.00 C ATOM 182 O PHE A 688 -6.411 11.250 5.791 1.00 0.00 O ATOM 183 CB PHE A 688 -4.931 8.642 4.586 1.00 0.00 C ATOM 184 CG PHE A 688 -5.241 9.537 3.411 1.00 0.00 C ATOM 185 CD1 PHE A 688 -4.232 10.384 2.921 1.00 0.00 C ATOM 186 CD2 PHE A 688 -6.543 9.610 2.880 1.00 0.00 C ATOM 187 CE1 PHE A 688 -4.514 11.266 1.873 1.00 0.00 C ATOM 188 CE2 PHE A 688 -6.807 10.457 1.790 1.00 0.00 C ATOM 189 CZ PHE A 688 -5.784 11.275 1.279 1.00 0.00 C ATOM 0 H PHE A 688 -4.405 7.642 6.757 1.00 0.00 H new ATOM 0 HA PHE A 688 -4.124 10.273 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 688 -3.988 8.122 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 688 -5.703 7.879 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 688 -3.242 10.354 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 688 -7.337 9.017 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 688 -3.750 11.943 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 688 -7.792 10.479 1.347 1.00 0.00 H new ATOM 0 HZ PHE A 688 -5.977 11.911 0.428 1.00 0.00 H new ATOM 199 N TYR A 689 -7.129 9.380 6.787 1.00 0.00 N ATOM 200 CA TYR A 689 -8.440 9.927 7.093 1.00 0.00 C ATOM 201 C TYR A 689 -8.409 10.755 8.384 1.00 0.00 C ATOM 202 O TYR A 689 -9.311 11.559 8.603 1.00 0.00 O ATOM 203 CB TYR A 689 -9.478 8.800 7.093 1.00 0.00 C ATOM 204 CG TYR A 689 -9.737 8.137 5.744 1.00 0.00 C ATOM 205 CD1 TYR A 689 -9.985 8.910 4.593 1.00 0.00 C ATOM 206 CD2 TYR A 689 -9.768 6.733 5.648 1.00 0.00 C ATOM 207 CE1 TYR A 689 -10.209 8.296 3.350 1.00 0.00 C ATOM 208 CE2 TYR A 689 -9.984 6.108 4.409 1.00 0.00 C ATOM 209 CZ TYR A 689 -10.199 6.887 3.251 1.00 0.00 C ATOM 210 OH TYR A 689 -10.412 6.270 2.055 1.00 0.00 O ATOM 0 H TYR A 689 -6.992 8.416 7.092 1.00 0.00 H new ATOM 0 HA TYR A 689 -8.741 10.631 6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 689 -9.155 8.034 7.797 1.00 0.00 H new ATOM 0 HB3 TYR A 689 -10.421 9.200 7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 689 -10.003 9.987 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 689 -9.625 6.132 6.534 1.00 0.00 H new ATOM 0 HE1 TYR A 689 -10.388 8.899 2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 689 -9.986 5.030 4.342 1.00 0.00 H new ATOM 0 HH TYR A 689 -10.368 5.298 2.176 1.00 0.00 H new ATOM 220 N GLU A 690 -7.369 10.614 9.211 1.00 0.00 N ATOM 221 CA GLU A 690 -7.088 11.493 10.350 1.00 0.00 C ATOM 222 C GLU A 690 -6.610 12.875 9.865 1.00 0.00 C ATOM 223 O GLU A 690 -6.547 13.826 10.651 1.00 0.00 O ATOM 224 CB GLU A 690 -6.035 10.832 11.269 1.00 0.00 C ATOM 225 CG GLU A 690 -6.610 9.680 12.110 1.00 0.00 C ATOM 226 CD GLU A 690 -5.515 8.840 12.791 1.00 0.00 C ATOM 227 OE1 GLU A 690 -4.850 8.020 12.111 1.00 0.00 O ATOM 228 OE2 GLU A 690 -5.373 8.944 14.027 1.00 0.00 O ATOM 0 H GLU A 690 -6.682 9.867 9.104 1.00 0.00 H new ATOM 0 HA GLU A 690 -8.005 11.642 10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 690 -5.214 10.455 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 690 -5.617 11.587 11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 690 -7.276 10.088 12.871 1.00 0.00 H new ATOM 0 HG3 GLU A 690 -7.213 9.035 11.471 1.00 0.00 H new ATOM 235 N LEU A 691 -6.289 13.014 8.568 1.00 0.00 N ATOM 236 CA LEU A 691 -5.994 14.293 7.933 1.00 0.00 C ATOM 237 C LEU A 691 -7.306 15.051 7.686 1.00 0.00 C ATOM 238 O LEU A 691 -8.345 14.425 7.456 1.00 0.00 O ATOM 239 CB LEU A 691 -5.280 14.095 6.585 1.00 0.00 C ATOM 240 CG LEU A 691 -3.988 13.261 6.618 1.00 0.00 C ATOM 241 CD1 LEU A 691 -3.324 13.245 5.235 1.00 0.00 C ATOM 242 CD2 LEU A 691 -2.966 13.737 7.660 1.00 0.00 C ATOM 0 H LEU A 691 -6.228 12.223 7.927 1.00 0.00 H new ATOM 0 HA LEU A 691 -5.340 14.858 8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 691 -5.977 13.620 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 691 -5.044 15.077 6.175 1.00 0.00 H new ATOM 0 HG LEU A 691 -4.296 12.257 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 691 -2.411 12.651 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 691 -4.009 12.809 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 691 -3.080 14.265 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 691 -2.083 13.099 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 691 -2.679 14.766 7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 691 -3.409 13.684 8.655 1.00 0.00 H new ATOM 254 N PRO A 692 -7.287 16.398 7.649 1.00 0.00 N ATOM 255 CA PRO A 692 -8.475 17.200 7.392 1.00 0.00 C ATOM 256 C PRO A 692 -9.125 16.804 6.069 1.00 0.00 C ATOM 257 O PRO A 692 -8.423 16.521 5.096 1.00 0.00 O ATOM 258 CB PRO A 692 -8.011 18.662 7.348 1.00 0.00 C ATOM 259 CG PRO A 692 -6.662 18.645 8.067 1.00 0.00 C ATOM 260 CD PRO A 692 -6.120 17.257 7.738 1.00 0.00 C ATOM 0 HA PRO A 692 -9.223 17.046 8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 692 -7.912 19.018 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 692 -8.721 19.321 7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 692 -6.001 19.433 7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 692 -6.775 18.791 9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 692 -5.565 17.264 6.800 1.00 0.00 H new ATOM 0 HD3 PRO A 692 -5.435 16.910 8.511 1.00 0.00 H new ATOM 268 N GLU A 693 -10.454 16.898 6.003 1.00 0.00 N ATOM 269 CA GLU A 693 -11.245 16.501 4.843 1.00 0.00 C ATOM 270 C GLU A 693 -10.658 17.037 3.540 1.00 0.00 C ATOM 271 O GLU A 693 -10.395 16.275 2.604 1.00 0.00 O ATOM 272 CB GLU A 693 -12.702 16.960 5.078 1.00 0.00 C ATOM 273 CG GLU A 693 -13.697 16.705 3.928 1.00 0.00 C ATOM 274 CD GLU A 693 -13.894 15.226 3.583 1.00 0.00 C ATOM 275 OE1 GLU A 693 -13.198 14.366 4.156 1.00 0.00 O ATOM 276 OE2 GLU A 693 -14.614 14.923 2.607 1.00 0.00 O ATOM 0 H GLU A 693 -11.019 17.260 6.771 1.00 0.00 H new ATOM 0 HA GLU A 693 -11.226 15.417 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.077 16.460 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -12.693 18.029 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -14.662 17.135 4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -13.349 17.231 3.039 1.00 0.00 H new ATOM 283 N ALA A 694 -10.361 18.336 3.501 1.00 0.00 N ATOM 284 CA ALA A 694 -9.847 18.954 2.295 1.00 0.00 C ATOM 285 C ALA A 694 -8.447 18.477 1.917 1.00 0.00 C ATOM 286 O ALA A 694 -8.139 18.437 0.730 1.00 0.00 O ATOM 287 CB ALA A 694 -9.905 20.473 2.426 1.00 0.00 C ATOM 0 H ALA A 694 -10.469 18.972 4.291 1.00 0.00 H new ATOM 0 HA ALA A 694 -10.490 18.639 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 694 -9.517 20.932 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 694 -10.938 20.786 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 694 -9.301 20.788 3.277 1.00 0.00 H new ATOM 293 N VAL A 695 -7.626 18.066 2.885 1.00 0.00 N ATOM 294 CA VAL A 695 -6.336 17.472 2.581 1.00 0.00 C ATOM 295 C VAL A 695 -6.544 16.100 1.947 1.00 0.00 C ATOM 296 O VAL A 695 -5.816 15.742 1.026 1.00 0.00 O ATOM 297 CB VAL A 695 -5.445 17.388 3.837 1.00 0.00 C ATOM 298 CG1 VAL A 695 -4.124 16.645 3.576 1.00 0.00 C ATOM 299 CG2 VAL A 695 -5.130 18.800 4.364 1.00 0.00 C ATOM 0 H VAL A 695 -7.836 18.136 3.881 1.00 0.00 H new ATOM 0 HA VAL A 695 -5.813 18.110 1.869 1.00 0.00 H new ATOM 0 HB VAL A 695 -6.007 16.823 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 695 -3.536 16.615 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 695 -4.337 15.627 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 695 -3.561 17.165 2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 695 -4.500 18.725 5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -4.607 19.367 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -6.059 19.308 4.621 1.00 0.00 H new ATOM 309 N GLN A 696 -7.547 15.334 2.390 1.00 0.00 N ATOM 310 CA GLN A 696 -7.777 14.000 1.855 1.00 0.00 C ATOM 311 C GLN A 696 -8.173 14.132 0.392 1.00 0.00 C ATOM 312 O GLN A 696 -7.695 13.414 -0.484 1.00 0.00 O ATOM 313 CB GLN A 696 -8.928 13.301 2.582 1.00 0.00 C ATOM 314 CG GLN A 696 -8.759 13.066 4.083 1.00 0.00 C ATOM 315 CD GLN A 696 -10.101 12.665 4.691 1.00 0.00 C ATOM 316 OE1 GLN A 696 -10.983 12.175 3.979 1.00 0.00 O ATOM 317 NE2 GLN A 696 -10.298 12.885 5.978 1.00 0.00 N ATOM 0 H GLN A 696 -8.206 15.619 3.114 1.00 0.00 H new ATOM 0 HA GLN A 696 -6.865 13.417 1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 696 -9.832 13.891 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 696 -9.094 12.335 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 696 -8.020 12.284 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 696 -8.386 13.970 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 696 -9.554 13.291 6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 696 -11.194 12.649 6.404 1.00 0.00 H new ATOM 326 N LYS A 697 -9.095 15.063 0.155 1.00 0.00 N ATOM 327 CA LYS A 697 -9.598 15.384 -1.163 1.00 0.00 C ATOM 328 C LYS A 697 -8.443 15.847 -2.055 1.00 0.00 C ATOM 329 O LYS A 697 -8.292 15.316 -3.152 1.00 0.00 O ATOM 330 CB LYS A 697 -10.690 16.452 -1.017 1.00 0.00 C ATOM 331 CG LYS A 697 -12.120 15.883 -0.978 1.00 0.00 C ATOM 332 CD LYS A 697 -12.571 15.204 0.324 1.00 0.00 C ATOM 333 CE LYS A 697 -12.086 13.763 0.571 1.00 0.00 C ATOM 334 NZ LYS A 697 -12.673 13.186 1.810 1.00 0.00 N ATOM 0 H LYS A 697 -9.517 15.623 0.896 1.00 0.00 H new ATOM 0 HA LYS A 697 -10.038 14.509 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -10.510 17.018 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -10.611 17.153 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -12.813 16.697 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -12.218 15.160 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -12.238 15.820 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -13.661 15.202 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -12.352 13.139 -0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.999 13.753 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.704 12.150 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -12.089 13.453 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -13.638 13.552 1.940 1.00 0.00 H new ATOM 348 N GLU A 698 -7.633 16.795 -1.584 1.00 0.00 N ATOM 349 CA GLU A 698 -6.552 17.386 -2.365 1.00 0.00 C ATOM 350 C GLU A 698 -5.461 16.359 -2.681 1.00 0.00 C ATOM 351 O GLU A 698 -4.957 16.332 -3.792 1.00 0.00 O ATOM 352 CB GLU A 698 -5.993 18.596 -1.598 1.00 0.00 C ATOM 353 CG GLU A 698 -4.767 19.281 -2.221 1.00 0.00 C ATOM 354 CD GLU A 698 -4.998 19.932 -3.593 1.00 0.00 C ATOM 355 OE1 GLU A 698 -5.927 19.554 -4.339 1.00 0.00 O ATOM 356 OE2 GLU A 698 -4.177 20.798 -3.962 1.00 0.00 O ATOM 0 H GLU A 698 -7.711 17.176 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 698 -6.941 17.722 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -6.787 19.336 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -5.731 18.273 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -4.410 20.046 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -3.971 18.543 -2.318 1.00 0.00 H new ATOM 363 N LEU A 699 -5.113 15.479 -1.741 1.00 0.00 N ATOM 364 CA LEU A 699 -4.113 14.432 -1.959 1.00 0.00 C ATOM 365 C LEU A 699 -4.612 13.453 -3.015 1.00 0.00 C ATOM 366 O LEU A 699 -3.837 13.057 -3.881 1.00 0.00 O ATOM 367 CB LEU A 699 -3.806 13.717 -0.630 1.00 0.00 C ATOM 368 CG LEU A 699 -2.768 14.344 0.333 1.00 0.00 C ATOM 369 CD1 LEU A 699 -1.427 13.602 0.281 1.00 0.00 C ATOM 370 CD2 LEU A 699 -2.511 15.844 0.144 1.00 0.00 C ATOM 0 H LEU A 699 -5.518 15.472 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 699 -3.188 14.879 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 699 -4.744 13.618 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 699 -3.468 12.709 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 699 -3.235 14.232 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 699 -0.725 14.071 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 699 -1.576 12.561 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 699 -1.026 13.646 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 699 -1.769 16.180 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 699 -2.141 16.025 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 699 -3.440 16.394 0.295 1.00 0.00 H new ATOM 382 N LEU A 700 -5.897 13.079 -3.000 1.00 0.00 N ATOM 383 CA LEU A 700 -6.453 12.234 -4.055 1.00 0.00 C ATOM 384 C LEU A 700 -6.440 12.976 -5.397 1.00 0.00 C ATOM 385 O LEU A 700 -6.091 12.378 -6.417 1.00 0.00 O ATOM 386 CB LEU A 700 -7.865 11.753 -3.674 1.00 0.00 C ATOM 387 CG LEU A 700 -7.851 10.632 -2.612 1.00 0.00 C ATOM 388 CD1 LEU A 700 -9.238 10.480 -1.974 1.00 0.00 C ATOM 389 CD2 LEU A 700 -7.450 9.270 -3.205 1.00 0.00 C ATOM 0 H LEU A 700 -6.563 13.347 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 700 -5.828 11.348 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 700 -8.442 12.597 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 700 -8.375 11.394 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 700 -7.111 10.925 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 700 -9.210 9.686 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 700 -9.523 11.417 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 700 -9.967 10.229 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 700 -7.455 8.515 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 700 -8.160 8.989 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 700 -6.451 9.340 -3.634 1.00 0.00 H new ATOM 401 N ALA A 701 -6.779 14.270 -5.409 1.00 0.00 N ATOM 402 CA ALA A 701 -6.701 15.083 -6.611 1.00 0.00 C ATOM 403 C ALA A 701 -5.261 15.139 -7.126 1.00 0.00 C ATOM 404 O ALA A 701 -5.055 15.019 -8.332 1.00 0.00 O ATOM 405 CB ALA A 701 -7.250 16.490 -6.351 1.00 0.00 C ATOM 0 H ALA A 701 -7.112 14.774 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 701 -7.319 14.622 -7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 701 -7.182 17.082 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 701 -8.292 16.422 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 701 -6.667 16.969 -5.564 1.00 0.00 H new ATOM 411 N GLU A 702 -4.278 15.264 -6.235 1.00 0.00 N ATOM 412 CA GLU A 702 -2.870 15.279 -6.578 1.00 0.00 C ATOM 413 C GLU A 702 -2.510 13.952 -7.237 1.00 0.00 C ATOM 414 O GLU A 702 -2.085 13.919 -8.388 1.00 0.00 O ATOM 415 CB GLU A 702 -2.004 15.575 -5.338 1.00 0.00 C ATOM 416 CG GLU A 702 -0.541 15.876 -5.704 1.00 0.00 C ATOM 417 CD GLU A 702 -0.432 17.177 -6.503 1.00 0.00 C ATOM 418 OE1 GLU A 702 -0.604 17.134 -7.739 1.00 0.00 O ATOM 419 OE2 GLU A 702 -0.309 18.255 -5.885 1.00 0.00 O ATOM 0 H GLU A 702 -4.450 15.359 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 702 -2.668 16.081 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 702 -2.423 16.425 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 702 -2.038 14.721 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 702 0.057 15.952 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 702 -0.131 15.051 -6.287 1.00 0.00 H new ATOM 426 N TRP A 703 -2.794 12.837 -6.566 1.00 0.00 N ATOM 427 CA TRP A 703 -2.579 11.489 -7.081 1.00 0.00 C ATOM 428 C TRP A 703 -3.501 11.141 -8.264 1.00 0.00 C ATOM 429 O TRP A 703 -3.434 10.017 -8.770 1.00 0.00 O ATOM 430 CB TRP A 703 -2.758 10.500 -5.924 1.00 0.00 C ATOM 431 CG TRP A 703 -1.912 10.704 -4.706 1.00 0.00 C ATOM 432 CD1 TRP A 703 -0.642 11.164 -4.643 1.00 0.00 C ATOM 433 CD2 TRP A 703 -2.317 10.470 -3.332 1.00 0.00 C ATOM 434 NE1 TRP A 703 -0.237 11.218 -3.323 1.00 0.00 N ATOM 435 CE2 TRP A 703 -1.227 10.777 -2.472 1.00 0.00 C ATOM 436 CE3 TRP A 703 -3.516 10.034 -2.741 1.00 0.00 C ATOM 437 CZ2 TRP A 703 -1.319 10.614 -1.082 1.00 0.00 C ATOM 438 CZ3 TRP A 703 -3.637 9.913 -1.352 1.00 0.00 C ATOM 439 CH2 TRP A 703 -2.534 10.182 -0.526 1.00 0.00 C ATOM 0 H TRP A 703 -3.190 12.848 -5.626 1.00 0.00 H new ATOM 0 HA TRP A 703 -1.566 11.427 -7.479 1.00 0.00 H new ATOM 0 HB2 TRP A 703 -3.803 10.527 -5.616 1.00 0.00 H new ATOM 0 HB3 TRP A 703 -2.564 9.497 -6.305 1.00 0.00 H new ATOM 0 HD1 TRP A 703 -0.038 11.446 -5.493 1.00 0.00 H new ATOM 0 HE1 TRP A 703 0.680 11.544 -3.017 1.00 0.00 H new ATOM 0 HE3 TRP A 703 -4.359 9.788 -3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 703 -0.468 10.818 -0.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 703 -4.578 9.613 -0.916 1.00 0.00 H new ATOM 0 HH2 TRP A 703 -2.620 10.056 0.543 1.00 0.00 H new ATOM 450 N LYS A 704 -4.368 12.057 -8.714 1.00 0.00 N ATOM 451 CA LYS A 704 -5.128 11.923 -9.958 1.00 0.00 C ATOM 452 C LYS A 704 -4.883 13.076 -10.944 1.00 0.00 C ATOM 453 O LYS A 704 -5.538 13.114 -11.983 1.00 0.00 O ATOM 454 CB LYS A 704 -6.612 11.676 -9.627 1.00 0.00 C ATOM 455 CG LYS A 704 -7.384 10.799 -10.629 1.00 0.00 C ATOM 456 CD LYS A 704 -6.977 9.314 -10.630 1.00 0.00 C ATOM 457 CE LYS A 704 -5.765 9.017 -11.529 1.00 0.00 C ATOM 458 NZ LYS A 704 -4.593 8.486 -10.801 1.00 0.00 N ATOM 0 H LYS A 704 -4.562 12.925 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 704 -4.763 11.050 -10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 704 -6.673 11.211 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 704 -7.114 12.641 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 704 -8.449 10.870 -10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 704 -7.239 11.202 -11.631 1.00 0.00 H new ATOM 0 HD2 LYS A 704 -6.748 9.006 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 704 -7.823 8.713 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 704 -6.060 8.299 -12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 704 -5.475 9.932 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 704 -3.868 8.184 -11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 704 -4.202 9.227 -10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 704 -4.883 7.673 -10.222 1.00 0.00 H new ATOM 472 N ARG A 705 -3.934 13.981 -10.670 1.00 0.00 N ATOM 473 CA ARG A 705 -3.457 15.002 -11.615 1.00 0.00 C ATOM 474 C ARG A 705 -1.965 14.830 -11.923 1.00 0.00 C ATOM 475 O ARG A 705 -1.363 15.720 -12.519 1.00 0.00 O ATOM 476 CB ARG A 705 -3.830 16.422 -11.129 1.00 0.00 C ATOM 477 CG ARG A 705 -2.982 16.982 -9.971 1.00 0.00 C ATOM 478 CD ARG A 705 -3.752 18.047 -9.170 1.00 0.00 C ATOM 479 NE ARG A 705 -3.005 18.530 -7.991 1.00 0.00 N ATOM 480 CZ ARG A 705 -3.520 19.142 -6.909 1.00 0.00 C ATOM 481 NH1 ARG A 705 -4.822 19.397 -6.828 1.00 0.00 N ATOM 482 NH2 ARG A 705 -2.736 19.508 -5.905 1.00 0.00 N ATOM 0 H ARG A 705 -3.465 14.025 -9.765 1.00 0.00 H new ATOM 0 HA ARG A 705 -3.970 14.861 -12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 705 -3.753 17.106 -11.974 1.00 0.00 H new ATOM 0 HB3 ARG A 705 -4.875 16.416 -10.818 1.00 0.00 H new ATOM 0 HG2 ARG A 705 -2.688 16.169 -9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 705 -2.065 17.417 -10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 705 -3.978 18.891 -9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 705 -4.705 17.631 -8.844 1.00 0.00 H new ATOM 0 HE ARG A 705 -1.995 18.385 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 705 -5.443 19.128 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 705 -5.200 19.861 -6.002 1.00 0.00 H new ATOM 0 HH21 ARG A 705 -1.733 19.326 -5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 705 -3.135 19.971 -5.089 1.00 0.00 H new ATOM 496 N THR A 706 -1.377 13.689 -11.554 1.00 0.00 N ATOM 497 CA THR A 706 0.051 13.388 -11.698 1.00 0.00 C ATOM 498 C THR A 706 0.287 12.024 -12.376 1.00 0.00 C ATOM 499 O THR A 706 1.419 11.674 -12.715 1.00 0.00 O ATOM 500 CB THR A 706 0.698 13.439 -10.298 1.00 0.00 C ATOM 501 OG1 THR A 706 -0.033 12.674 -9.359 1.00 0.00 O ATOM 502 CG2 THR A 706 0.811 14.878 -9.779 1.00 0.00 C ATOM 0 H THR A 706 -1.900 12.922 -11.132 1.00 0.00 H new ATOM 0 HA THR A 706 0.512 14.131 -12.348 1.00 0.00 H new ATOM 0 HB THR A 706 1.697 13.017 -10.408 1.00 0.00 H new ATOM 0 HG1 THR A 706 -0.564 13.272 -8.793 1.00 0.00 H new ATOM 0 HG21 THR A 706 1.271 14.873 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 706 1.425 15.464 -10.463 1.00 0.00 H new ATOM 0 HG23 THR A 706 -0.183 15.320 -9.714 1.00 0.00 H new ATOM 510 N GLY A 707 -0.788 11.270 -12.591 1.00 0.00 N ATOM 511 CA GLY A 707 -0.859 9.891 -13.015 1.00 0.00 C ATOM 512 C GLY A 707 -2.232 9.428 -12.560 1.00 0.00 C ATOM 513 O GLY A 707 -2.488 8.208 -12.522 1.00 0.00 O ATOM 514 OXT GLY A 707 -3.066 10.285 -12.175 1.00 0.00 O ATOM 0 H GLY A 707 -1.722 11.658 -12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 707 -0.747 9.801 -14.095 1.00 0.00 H new ATOM 0 HA3 GLY A 707 -0.068 9.294 -12.561 1.00 0.00 H new TER 518 GLY A 707