USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 293 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 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot 73:sc= 0.281 USER MOD Single : A 703 SER OG : rot 180:sc= 0 USER MOD Single : A 706 ASN : amide:sc= -0.01 K(o=-0.01,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 679 2.104 -6.200 -11.020 1.00 0.00 N ATOM 42 CA LEU A 679 1.982 -6.505 -9.598 1.00 0.00 C ATOM 43 C LEU A 679 2.116 -8.004 -9.359 1.00 0.00 C ATOM 44 O LEU A 679 2.791 -8.436 -8.423 1.00 0.00 O ATOM 45 CB LEU A 679 0.625 -6.024 -9.076 1.00 0.00 C ATOM 46 CG LEU A 679 0.579 -4.493 -9.076 1.00 0.00 C ATOM 47 CD1 LEU A 679 -0.850 -4.029 -8.786 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.519 -3.949 -7.994 1.00 0.00 C ATOM 0 HA LEU A 679 2.781 -5.990 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.176 -6.420 -9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.459 -6.401 -8.067 1.00 0.00 H new ATOM 0 HG LEU A 679 0.895 -4.121 -10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 679 -0.886 -2.940 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 679 -1.520 -4.414 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 679 -1.163 -4.403 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.484 -2.860 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 679 1.204 -4.320 -7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 679 2.538 -4.280 -8.197 1.00 0.00 H new ATOM 60 N TRP A 680 1.470 -8.796 -10.208 1.00 0.00 N ATOM 61 CA TRP A 680 1.525 -10.246 -10.079 1.00 0.00 C ATOM 62 C TRP A 680 2.971 -10.732 -10.096 1.00 0.00 C ATOM 63 O TRP A 680 3.368 -11.564 -9.281 1.00 0.00 O ATOM 64 CB TRP A 680 0.749 -10.903 -11.223 1.00 0.00 C ATOM 65 CG TRP A 680 -0.718 -10.783 -10.965 1.00 0.00 C ATOM 66 CD1 TRP A 680 -1.541 -9.893 -11.566 1.00 0.00 C ATOM 67 CD2 TRP A 680 -1.549 -11.559 -10.054 1.00 0.00 C ATOM 68 NE1 TRP A 680 -2.824 -10.074 -11.081 1.00 0.00 N ATOM 69 CE2 TRP A 680 -2.880 -11.089 -10.146 1.00 0.00 C ATOM 70 CE3 TRP A 680 -1.279 -12.614 -9.164 1.00 0.00 C ATOM 71 CZ2 TRP A 680 -3.907 -11.647 -9.385 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -2.310 -13.178 -8.396 1.00 0.00 C ATOM 73 CH2 TRP A 680 -3.622 -12.695 -8.506 1.00 0.00 C ATOM 0 H TRP A 680 0.905 -8.460 -10.988 1.00 0.00 H new ATOM 0 HA TRP A 680 1.072 -10.524 -9.127 1.00 0.00 H new ATOM 0 HB2 TRP A 680 1.003 -10.426 -12.170 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.029 -11.953 -11.310 1.00 0.00 H new ATOM 0 HD1 TRP A 680 -1.245 -9.161 -12.303 1.00 0.00 H new ATOM 0 HE1 TRP A 680 -3.631 -9.525 -11.378 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -0.272 -12.993 -9.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 -4.916 -11.272 -9.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -2.091 -13.989 -7.717 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -4.411 -13.132 -7.912 1.00 0.00 H new ATOM 84 N TYR A 681 3.753 -10.205 -11.033 1.00 0.00 N ATOM 85 CA TYR A 681 5.156 -10.591 -11.147 1.00 0.00 C ATOM 86 C TYR A 681 5.960 -10.053 -9.967 1.00 0.00 C ATOM 87 O TYR A 681 6.903 -10.692 -9.503 1.00 0.00 O ATOM 88 CB TYR A 681 5.742 -10.050 -12.452 1.00 0.00 C ATOM 89 CG TYR A 681 7.136 -10.598 -12.643 1.00 0.00 C ATOM 90 CD1 TYR A 681 7.317 -11.884 -13.165 1.00 0.00 C ATOM 91 CD2 TYR A 681 8.247 -9.820 -12.297 1.00 0.00 C ATOM 92 CE1 TYR A 681 8.611 -12.392 -13.341 1.00 0.00 C ATOM 93 CE2 TYR A 681 9.539 -10.327 -12.474 1.00 0.00 C ATOM 94 CZ TYR A 681 9.721 -11.613 -12.995 1.00 0.00 C ATOM 95 OH TYR A 681 10.995 -12.113 -13.170 1.00 0.00 O ATOM 0 H TYR A 681 3.443 -9.516 -11.718 1.00 0.00 H new ATOM 0 HA TYR A 681 5.213 -11.679 -11.145 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.109 -10.335 -13.293 1.00 0.00 H new ATOM 0 HB3 TYR A 681 5.768 -8.961 -12.427 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.460 -12.484 -13.432 1.00 0.00 H new ATOM 0 HD2 TYR A 681 8.107 -8.828 -11.893 1.00 0.00 H new ATOM 0 HE1 TYR A 681 8.752 -13.384 -13.743 1.00 0.00 H new ATOM 0 HE2 TYR A 681 10.396 -9.726 -12.208 1.00 0.00 H new ATOM 0 HH TYR A 681 11.651 -11.445 -12.881 1.00 0.00 H new ATOM 105 N ILE A 682 5.581 -8.872 -9.488 1.00 0.00 N ATOM 106 CA ILE A 682 6.276 -8.260 -8.361 1.00 0.00 C ATOM 107 C ILE A 682 6.119 -9.116 -7.109 1.00 0.00 C ATOM 108 O ILE A 682 7.071 -9.312 -6.355 1.00 0.00 O ATOM 109 CB ILE A 682 5.783 -6.838 -8.085 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.333 -5.885 -9.152 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.267 -6.388 -6.704 1.00 0.00 C ATOM 112 CD1 ILE A 682 5.551 -4.566 -9.127 1.00 0.00 C ATOM 0 H ILE A 682 4.804 -8.324 -9.858 1.00 0.00 H new ATOM 0 HA ILE A 682 7.331 -8.200 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 682 4.693 -6.823 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 682 7.391 -5.694 -8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 682 6.256 -6.345 -10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 682 5.916 -5.375 -6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 682 5.874 -7.062 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.357 -6.406 -6.677 1.00 0.00 H new ATOM 0 HD11 ILE A 682 5.947 -3.894 -9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 682 4.498 -4.763 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 682 5.651 -4.102 -8.146 1.00 0.00 H new ATOM 124 N ARG A 683 4.910 -9.624 -6.893 1.00 0.00 N ATOM 125 CA ARG A 683 4.640 -10.459 -5.728 1.00 0.00 C ATOM 126 C ARG A 683 5.461 -11.742 -5.786 1.00 0.00 C ATOM 127 O ARG A 683 6.055 -12.156 -4.790 1.00 0.00 O ATOM 128 CB ARG A 683 3.151 -10.807 -5.669 1.00 0.00 C ATOM 129 CG ARG A 683 2.345 -9.552 -5.328 1.00 0.00 C ATOM 130 CD ARG A 683 0.850 -9.864 -5.414 1.00 0.00 C ATOM 131 NE ARG A 683 0.487 -10.874 -4.425 1.00 0.00 N ATOM 132 CZ ARG A 683 -0.722 -11.438 -4.408 1.00 0.00 C ATOM 133 NH1 ARG A 683 -1.632 -11.097 -5.286 1.00 0.00 N ATOM 134 NH2 ARG A 683 -1.001 -12.337 -3.505 1.00 0.00 N ATOM 0 H ARG A 683 4.107 -9.474 -7.504 1.00 0.00 H new ATOM 0 HA ARG A 683 4.919 -9.902 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.824 -11.213 -6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.977 -11.579 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 683 2.598 -9.206 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 683 2.599 -8.746 -6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 683 0.271 -8.956 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 683 0.602 -10.219 -6.414 1.00 0.00 H new ATOM 0 HE ARG A 683 1.176 -11.156 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -1.420 -10.393 -5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -2.553 -11.535 -5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -0.297 -12.605 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -1.923 -12.772 -3.486 1.00 0.00 H new ATOM 148 N ILE A 684 5.489 -12.370 -6.959 1.00 0.00 N ATOM 149 CA ILE A 684 6.241 -13.607 -7.134 1.00 0.00 C ATOM 150 C ILE A 684 7.713 -13.389 -6.799 1.00 0.00 C ATOM 151 O ILE A 684 8.315 -14.173 -6.065 1.00 0.00 O ATOM 152 CB ILE A 684 6.115 -14.093 -8.581 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.677 -14.557 -8.870 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.085 -15.254 -8.814 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.379 -15.890 -8.169 1.00 0.00 C ATOM 0 H ILE A 684 5.004 -12.045 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 684 5.832 -14.359 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 684 6.358 -13.269 -9.252 1.00 0.00 H new ATOM 0 HG12 ILE A 684 3.971 -13.798 -8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 684 4.536 -14.668 -9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 684 6.996 -15.601 -9.843 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.106 -14.918 -8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.845 -16.071 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.356 -16.196 -8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 684 5.071 -16.652 -8.527 1.00 0.00 H new ATOM 0 HD13 ILE A 684 4.498 -15.769 -7.092 1.00 0.00 H new ATOM 167 N PHE A 685 8.288 -12.322 -7.342 1.00 0.00 N ATOM 168 CA PHE A 685 9.692 -12.014 -7.092 1.00 0.00 C ATOM 169 C PHE A 685 9.936 -11.811 -5.601 1.00 0.00 C ATOM 170 O PHE A 685 10.940 -12.272 -5.058 1.00 0.00 O ATOM 171 CB PHE A 685 10.094 -10.749 -7.854 1.00 0.00 C ATOM 172 CG PHE A 685 11.547 -10.441 -7.585 1.00 0.00 C ATOM 173 CD1 PHE A 685 11.892 -9.448 -6.660 1.00 0.00 C ATOM 174 CD2 PHE A 685 12.549 -11.148 -8.260 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.240 -9.161 -6.411 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.898 -10.861 -8.011 1.00 0.00 C ATOM 177 CZ PHE A 685 14.242 -9.869 -7.086 1.00 0.00 C ATOM 0 H PHE A 685 7.809 -11.660 -7.953 1.00 0.00 H new ATOM 0 HA PHE A 685 10.296 -12.852 -7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.932 -10.888 -8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.470 -9.911 -7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 685 11.119 -8.903 -6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 685 12.283 -11.915 -8.973 1.00 0.00 H new ATOM 0 HE1 PHE A 685 13.507 -8.394 -5.699 1.00 0.00 H new ATOM 0 HE2 PHE A 685 14.671 -11.405 -8.533 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.282 -9.649 -6.892 1.00 0.00 H new ATOM 187 N ILE A 686 9.010 -11.120 -4.943 1.00 0.00 N ATOM 188 CA ILE A 686 9.136 -10.865 -3.513 1.00 0.00 C ATOM 189 C ILE A 686 9.140 -12.178 -2.736 1.00 0.00 C ATOM 190 O ILE A 686 9.962 -12.377 -1.841 1.00 0.00 O ATOM 191 CB ILE A 686 7.989 -9.978 -3.026 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.169 -8.563 -3.583 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.996 -9.926 -1.497 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.883 -7.762 -3.371 1.00 0.00 C ATOM 0 H ILE A 686 8.171 -10.730 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 686 10.080 -10.349 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 686 7.040 -10.389 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 686 9.004 -8.069 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.411 -8.607 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.178 -9.294 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.870 -10.933 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.944 -9.515 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 686 7.012 -6.755 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 686 6.059 -8.253 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.660 -7.706 -2.305 1.00 0.00 H new ATOM 206 N ILE A 687 8.217 -13.066 -3.084 1.00 0.00 N ATOM 207 CA ILE A 687 8.122 -14.358 -2.413 1.00 0.00 C ATOM 208 C ILE A 687 9.415 -15.150 -2.589 1.00 0.00 C ATOM 209 O ILE A 687 9.917 -15.755 -1.642 1.00 0.00 O ATOM 210 CB ILE A 687 6.951 -15.161 -2.992 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.611 -14.510 -2.607 1.00 0.00 C ATOM 212 CG2 ILE A 687 7.001 -16.592 -2.452 1.00 0.00 C ATOM 213 CD1 ILE A 687 5.303 -14.730 -1.118 1.00 0.00 C ATOM 0 H ILE A 687 7.528 -12.918 -3.821 1.00 0.00 H new ATOM 0 HA ILE A 687 7.956 -14.183 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 687 7.034 -15.174 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.646 -13.442 -2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 687 4.810 -14.931 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.169 -17.165 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 687 7.942 -17.058 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.927 -16.573 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 687 4.351 -14.261 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 687 5.245 -15.799 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 687 6.094 -14.287 -0.513 1.00 0.00 H new ATOM 225 N ILE A 688 9.946 -15.139 -3.807 1.00 0.00 N ATOM 226 CA ILE A 688 11.180 -15.859 -4.098 1.00 0.00 C ATOM 227 C ILE A 688 12.311 -15.374 -3.195 1.00 0.00 C ATOM 228 O ILE A 688 13.069 -16.176 -2.650 1.00 0.00 O ATOM 229 CB ILE A 688 11.571 -15.656 -5.562 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.565 -16.377 -6.462 1.00 0.00 C ATOM 231 CG2 ILE A 688 12.969 -16.227 -5.803 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.783 -15.952 -7.915 1.00 0.00 C ATOM 0 H ILE A 688 9.545 -14.643 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 688 11.011 -16.920 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 688 11.570 -14.591 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 688 10.684 -17.456 -6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 688 9.548 -16.139 -6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.246 -16.082 -6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.687 -15.715 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 688 12.972 -17.292 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 688 10.066 -16.466 -8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 688 10.642 -14.875 -8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 688 11.796 -16.212 -8.222 1.00 0.00 H new ATOM 244 N VAL A 689 12.416 -14.058 -3.043 1.00 0.00 N ATOM 245 CA VAL A 689 13.460 -13.476 -2.205 1.00 0.00 C ATOM 246 C VAL A 689 13.295 -13.924 -0.756 1.00 0.00 C ATOM 247 O VAL A 689 14.271 -14.262 -0.086 1.00 0.00 O ATOM 248 CB VAL A 689 13.400 -11.950 -2.279 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.340 -11.351 -1.232 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.833 -11.491 -3.673 1.00 0.00 C ATOM 0 H VAL A 689 11.797 -13.378 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 689 14.427 -13.819 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 689 12.380 -11.617 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.297 -10.263 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.034 -11.678 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.360 -11.684 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.791 -10.403 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.853 -11.825 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.164 -11.918 -4.421 1.00 0.00 H new ATOM 260 N GLY A 690 12.056 -13.924 -0.278 1.00 0.00 N ATOM 261 CA GLY A 690 11.778 -14.334 1.094 1.00 0.00 C ATOM 262 C GLY A 690 12.153 -15.798 1.304 1.00 0.00 C ATOM 263 O GLY A 690 12.704 -16.165 2.342 1.00 0.00 O ATOM 0 H GLY A 690 11.234 -13.647 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.338 -13.707 1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.721 -14.189 1.316 1.00 0.00 H new ATOM 267 N SER A 691 11.853 -16.629 0.312 1.00 0.00 N ATOM 268 CA SER A 691 12.163 -18.050 0.398 1.00 0.00 C ATOM 269 C SER A 691 13.667 -18.261 0.550 1.00 0.00 C ATOM 270 O SER A 691 14.113 -19.035 1.395 1.00 0.00 O ATOM 271 CB SER A 691 11.669 -18.771 -0.855 1.00 0.00 C ATOM 272 OG SER A 691 10.249 -18.713 -0.900 1.00 0.00 O ATOM 0 H SER A 691 11.398 -16.345 -0.556 1.00 0.00 H new ATOM 0 HA SER A 691 11.659 -18.460 1.273 1.00 0.00 H new ATOM 0 HB2 SER A 691 12.092 -18.307 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 691 12.002 -19.809 -0.847 1.00 0.00 H new ATOM 0 HG SER A 691 9.966 -17.803 -1.130 1.00 0.00 H new ATOM 278 N LEU A 692 14.442 -17.568 -0.276 1.00 0.00 N ATOM 279 CA LEU A 692 15.895 -17.687 -0.224 1.00 0.00 C ATOM 280 C LEU A 692 16.424 -17.206 1.123 1.00 0.00 C ATOM 281 O LEU A 692 17.301 -17.833 1.716 1.00 0.00 O ATOM 282 CB LEU A 692 16.528 -16.859 -1.346 1.00 0.00 C ATOM 283 CG LEU A 692 16.225 -17.503 -2.702 1.00 0.00 C ATOM 284 CD1 LEU A 692 16.643 -16.548 -3.822 1.00 0.00 C ATOM 285 CD2 LEU A 692 17.007 -18.815 -2.836 1.00 0.00 C ATOM 0 H LEU A 692 14.093 -16.923 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 692 16.159 -18.737 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.140 -15.841 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 692 17.606 -16.793 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 692 15.157 -17.709 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 692 16.428 -17.004 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 692 16.088 -15.614 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 692 17.711 -16.344 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 692 16.790 -19.271 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 692 18.075 -18.611 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 692 16.713 -19.497 -2.038 1.00 0.00 H new ATOM 297 N ILE A 693 15.880 -16.091 1.602 1.00 0.00 N ATOM 298 CA ILE A 693 16.304 -15.535 2.881 1.00 0.00 C ATOM 299 C ILE A 693 16.027 -16.519 4.015 1.00 0.00 C ATOM 300 O ILE A 693 16.862 -16.716 4.896 1.00 0.00 O ATOM 301 CB ILE A 693 15.571 -14.219 3.152 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.066 -13.150 2.174 1.00 0.00 C ATOM 303 CG2 ILE A 693 15.850 -13.765 4.585 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.145 -11.932 2.241 1.00 0.00 C ATOM 0 H ILE A 693 15.150 -15.559 1.128 1.00 0.00 H new ATOM 0 HA ILE A 693 17.377 -15.348 2.833 1.00 0.00 H new ATOM 0 HB ILE A 693 14.499 -14.366 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.087 -12.861 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.084 -13.550 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.328 -12.828 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.500 -14.526 5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 693 16.922 -13.617 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.497 -11.171 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.131 -12.228 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.149 -11.528 3.253 1.00 0.00 H new ATOM 316 N GLY A 694 14.848 -17.133 3.983 1.00 0.00 N ATOM 317 CA GLY A 694 14.470 -18.095 5.010 1.00 0.00 C ATOM 318 C GLY A 694 15.391 -19.310 4.972 1.00 0.00 C ATOM 319 O GLY A 694 15.880 -19.761 6.009 1.00 0.00 O ATOM 0 H GLY A 694 14.143 -16.982 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.519 -17.625 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.437 -18.410 4.859 1.00 0.00 H new ATOM 323 N LEU A 695 15.625 -19.837 3.774 1.00 0.00 N ATOM 324 CA LEU A 695 16.489 -20.999 3.617 1.00 0.00 C ATOM 325 C LEU A 695 17.860 -20.733 4.230 1.00 0.00 C ATOM 326 O LEU A 695 18.395 -21.563 4.965 1.00 0.00 O ATOM 327 CB LEU A 695 16.644 -21.331 2.128 1.00 0.00 C ATOM 328 CG LEU A 695 17.579 -22.532 1.948 1.00 0.00 C ATOM 329 CD1 LEU A 695 16.981 -23.762 2.636 1.00 0.00 C ATOM 330 CD2 LEU A 695 17.749 -22.819 0.454 1.00 0.00 C ATOM 0 H LEU A 695 15.231 -19.480 2.904 1.00 0.00 H new ATOM 0 HA LEU A 695 16.034 -21.844 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 695 15.669 -21.552 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.042 -20.468 1.595 1.00 0.00 H new ATOM 0 HG LEU A 695 18.548 -22.306 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 695 17.649 -24.613 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 695 16.856 -23.559 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.011 -23.991 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 695 18.413 -23.673 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 695 16.777 -23.043 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 695 18.177 -21.946 -0.038 1.00 0.00 H new ATOM 342 N ARG A 696 18.422 -19.569 3.926 1.00 0.00 N ATOM 343 CA ARG A 696 19.732 -19.202 4.454 1.00 0.00 C ATOM 344 C ARG A 696 19.695 -19.128 5.976 1.00 0.00 C ATOM 345 O ARG A 696 20.583 -19.645 6.655 1.00 0.00 O ATOM 346 CB ARG A 696 20.163 -17.846 3.889 1.00 0.00 C ATOM 347 CG ARG A 696 20.391 -17.949 2.375 1.00 0.00 C ATOM 348 CD ARG A 696 21.645 -18.778 2.083 1.00 0.00 C ATOM 349 NE ARG A 696 21.929 -18.772 0.651 1.00 0.00 N ATOM 350 CZ ARG A 696 22.590 -17.769 0.067 1.00 0.00 C ATOM 351 NH1 ARG A 696 23.003 -16.739 0.762 1.00 0.00 N ATOM 352 NH2 ARG A 696 22.826 -17.815 -1.216 1.00 0.00 N ATOM 0 H ARG A 696 17.995 -18.867 3.321 1.00 0.00 H new ATOM 0 HA ARG A 696 20.449 -19.966 4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 696 19.399 -17.097 4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 696 21.078 -17.514 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 696 19.524 -18.408 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 696 20.498 -16.952 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 696 22.495 -18.372 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 696 21.502 -19.802 2.429 1.00 0.00 H new ATOM 0 HE ARG A 696 21.614 -19.556 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 696 22.821 -16.694 1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 696 23.506 -15.981 0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 696 22.506 -18.613 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 696 23.330 -17.053 -1.669 1.00 0.00 H new ATOM 366 N ILE A 697 18.664 -18.480 6.510 1.00 0.00 N ATOM 367 CA ILE A 697 18.524 -18.344 7.955 1.00 0.00 C ATOM 368 C ILE A 697 18.492 -19.717 8.622 1.00 0.00 C ATOM 369 O ILE A 697 19.166 -19.947 9.626 1.00 0.00 O ATOM 370 CB ILE A 697 17.238 -17.582 8.290 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.373 -16.106 7.879 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.965 -17.673 9.794 1.00 0.00 C ATOM 373 CD1 ILE A 697 18.277 -15.352 8.862 1.00 0.00 C ATOM 0 H ILE A 697 17.918 -18.044 5.968 1.00 0.00 H new ATOM 0 HA ILE A 697 19.382 -17.788 8.332 1.00 0.00 H new ATOM 0 HB ILE A 697 16.409 -18.028 7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 697 17.786 -16.040 6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 697 16.388 -15.639 7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.050 -17.130 10.031 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.852 -18.719 10.081 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.799 -17.235 10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 697 18.360 -14.310 8.554 1.00 0.00 H new ATOM 0 HD12 ILE A 697 17.848 -15.402 9.863 1.00 0.00 H new ATOM 0 HD13 ILE A 697 19.267 -15.808 8.869 1.00 0.00 H new ATOM 385 N VAL A 698 17.698 -20.623 8.060 1.00 0.00 N ATOM 386 CA VAL A 698 17.582 -21.968 8.609 1.00 0.00 C ATOM 387 C VAL A 698 18.948 -22.642 8.664 1.00 0.00 C ATOM 388 O VAL A 698 19.290 -23.299 9.647 1.00 0.00 O ATOM 389 CB VAL A 698 16.631 -22.803 7.751 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.696 -24.266 8.191 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.202 -22.283 7.920 1.00 0.00 C ATOM 0 H VAL A 698 17.129 -20.452 7.231 1.00 0.00 H new ATOM 0 HA VAL A 698 17.185 -21.895 9.621 1.00 0.00 H new ATOM 0 HB VAL A 698 16.925 -22.726 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 698 16.018 -24.861 7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.714 -24.637 8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.403 -24.344 9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.524 -22.878 7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.908 -22.359 8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.155 -21.241 7.605 1.00 0.00 H new ATOM 401 N PHE A 699 19.725 -22.473 7.601 1.00 0.00 N ATOM 402 CA PHE A 699 21.054 -23.066 7.535 1.00 0.00 C ATOM 403 C PHE A 699 21.954 -22.480 8.618 1.00 0.00 C ATOM 404 O PHE A 699 22.705 -23.202 9.275 1.00 0.00 O ATOM 405 CB PHE A 699 21.675 -22.830 6.158 1.00 0.00 C ATOM 406 CG PHE A 699 21.328 -23.983 5.245 1.00 0.00 C ATOM 407 CD1 PHE A 699 20.004 -24.186 4.840 1.00 0.00 C ATOM 408 CD2 PHE A 699 22.336 -24.849 4.804 1.00 0.00 C ATOM 409 CE1 PHE A 699 19.687 -25.256 3.995 1.00 0.00 C ATOM 410 CE2 PHE A 699 22.019 -25.918 3.958 1.00 0.00 C ATOM 411 CZ PHE A 699 20.695 -26.122 3.554 1.00 0.00 C ATOM 0 H PHE A 699 19.459 -21.933 6.777 1.00 0.00 H new ATOM 0 HA PHE A 699 20.959 -24.139 7.700 1.00 0.00 H new ATOM 0 HB2 PHE A 699 21.307 -21.895 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 699 22.757 -22.735 6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 699 19.227 -23.517 5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 699 23.358 -24.692 5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 699 18.665 -25.414 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 699 22.796 -26.586 3.617 1.00 0.00 H new ATOM 0 HZ PHE A 699 20.451 -26.948 2.902 1.00 0.00 H new ATOM 421 N ALA A 700 21.870 -21.166 8.800 1.00 0.00 N ATOM 422 CA ALA A 700 22.680 -20.491 9.806 1.00 0.00 C ATOM 423 C ALA A 700 22.343 -21.009 11.200 1.00 0.00 C ATOM 424 O ALA A 700 23.232 -21.247 12.018 1.00 0.00 O ATOM 425 CB ALA A 700 22.438 -18.982 9.746 1.00 0.00 C ATOM 0 H ALA A 700 21.254 -20.552 8.268 1.00 0.00 H new ATOM 0 HA ALA A 700 23.730 -20.697 9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.047 -18.485 10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.709 -18.609 8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.385 -18.775 9.936 1.00 0.00 H new ATOM 431 N VAL A 701 21.052 -21.177 11.464 1.00 0.00 N ATOM 432 CA VAL A 701 20.608 -21.668 12.763 1.00 0.00 C ATOM 433 C VAL A 701 21.182 -23.054 13.035 1.00 0.00 C ATOM 434 O VAL A 701 21.669 -23.331 14.131 1.00 0.00 O ATOM 435 CB VAL A 701 19.079 -21.728 12.806 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.633 -22.456 14.075 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.514 -20.306 12.809 1.00 0.00 C ATOM 0 H VAL A 701 20.301 -20.982 10.802 1.00 0.00 H new ATOM 0 HA VAL A 701 20.965 -20.982 13.531 1.00 0.00 H new ATOM 0 HB VAL A 701 18.711 -22.264 11.931 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.544 -22.499 14.106 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.036 -23.469 14.074 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.000 -21.920 14.950 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.425 -20.347 12.840 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.882 -19.770 13.684 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.832 -19.786 11.905 1.00 0.00 H new ATOM 447 N LEU A 702 21.123 -23.921 12.027 1.00 0.00 N ATOM 448 CA LEU A 702 21.643 -25.276 12.167 1.00 0.00 C ATOM 449 C LEU A 702 23.145 -25.252 12.428 1.00 0.00 C ATOM 450 O LEU A 702 23.648 -25.979 13.286 1.00 0.00 O ATOM 451 CB LEU A 702 21.358 -26.077 10.894 1.00 0.00 C ATOM 452 CG LEU A 702 19.855 -26.347 10.774 1.00 0.00 C ATOM 453 CD1 LEU A 702 19.553 -26.922 9.389 1.00 0.00 C ATOM 454 CD2 LEU A 702 19.424 -27.353 11.848 1.00 0.00 C ATOM 0 H LEU A 702 20.724 -23.711 11.112 1.00 0.00 H new ATOM 0 HA LEU A 702 21.147 -25.749 13.015 1.00 0.00 H new ATOM 0 HB2 LEU A 702 21.708 -25.526 10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.905 -27.020 10.917 1.00 0.00 H new ATOM 0 HG LEU A 702 19.307 -25.415 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 702 18.484 -27.115 9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 702 19.857 -26.207 8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.103 -27.854 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 702 18.354 -27.543 11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 702 19.971 -28.286 11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 702 19.640 -26.946 12.836 1.00 0.00 H new ATOM 466 N SER A 703 23.857 -24.411 11.686 1.00 0.00 N ATOM 467 CA SER A 703 25.303 -24.302 11.849 1.00 0.00 C ATOM 468 C SER A 703 25.649 -23.831 13.258 1.00 0.00 C ATOM 469 O SER A 703 26.586 -24.336 13.879 1.00 0.00 O ATOM 470 CB SER A 703 25.871 -23.317 10.828 1.00 0.00 C ATOM 471 OG SER A 703 27.279 -23.220 11.001 1.00 0.00 O ATOM 0 H SER A 703 23.462 -23.800 10.972 1.00 0.00 H new ATOM 0 HA SER A 703 25.743 -25.286 11.688 1.00 0.00 H new ATOM 0 HB2 SER A 703 25.640 -23.650 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 703 25.409 -22.338 10.954 1.00 0.00 H new ATOM 0 HG SER A 703 27.646 -22.590 10.346 1.00 0.00 H new ATOM 477 N LEU A 704 24.887 -22.864 13.755 1.00 0.00 N ATOM 478 CA LEU A 704 25.120 -22.330 15.093 1.00 0.00 C ATOM 479 C LEU A 704 24.892 -23.405 16.151 1.00 0.00 C ATOM 480 O LEU A 704 25.658 -23.521 17.108 1.00 0.00 O ATOM 481 CB LEU A 704 24.183 -21.145 15.349 1.00 0.00 C ATOM 482 CG LEU A 704 24.414 -20.583 16.757 1.00 0.00 C ATOM 483 CD1 LEU A 704 25.849 -20.067 16.882 1.00 0.00 C ATOM 484 CD2 LEU A 704 23.438 -19.431 17.007 1.00 0.00 C ATOM 0 H LEU A 704 24.107 -22.435 13.256 1.00 0.00 H new ATOM 0 HA LEU A 704 26.156 -21.996 15.156 1.00 0.00 H new ATOM 0 HB2 LEU A 704 24.357 -20.367 14.606 1.00 0.00 H new ATOM 0 HB3 LEU A 704 23.146 -21.462 15.242 1.00 0.00 H new ATOM 0 HG LEU A 704 24.251 -21.372 17.491 1.00 0.00 H new ATOM 0 HD11 LEU A 704 26.007 -19.669 17.884 1.00 0.00 H new ATOM 0 HD12 LEU A 704 26.547 -20.885 16.702 1.00 0.00 H new ATOM 0 HD13 LEU A 704 26.017 -19.279 16.148 1.00 0.00 H new ATOM 0 HD21 LEU A 704 23.599 -19.028 18.007 1.00 0.00 H new ATOM 0 HD22 LEU A 704 23.605 -18.646 16.269 1.00 0.00 H new ATOM 0 HD23 LEU A 704 22.415 -19.797 16.923 1.00 0.00 H new ATOM 496 N VAL A 705 23.834 -24.189 15.974 1.00 0.00 N ATOM 497 CA VAL A 705 23.517 -25.252 16.922 1.00 0.00 C ATOM 498 C VAL A 705 24.603 -26.324 16.909 1.00 0.00 C ATOM 499 O VAL A 705 25.001 -26.828 17.959 1.00 0.00 O ATOM 500 CB VAL A 705 22.171 -25.884 16.566 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.949 -27.132 17.423 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.050 -24.878 16.833 1.00 0.00 C ATOM 0 H VAL A 705 23.186 -24.110 15.190 1.00 0.00 H new ATOM 0 HA VAL A 705 23.463 -24.818 17.920 1.00 0.00 H new ATOM 0 HB VAL A 705 22.168 -26.162 15.512 1.00 0.00 H new ATOM 0 HG11 VAL A 705 20.989 -27.582 17.169 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.748 -27.850 17.235 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.952 -26.855 18.477 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.090 -25.327 16.580 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.054 -24.600 17.887 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.207 -23.988 16.223 1.00 0.00 H new ATOM 512 N ASN A 706 25.076 -26.666 15.715 1.00 0.00 N ATOM 513 CA ASN A 706 26.115 -27.678 15.578 1.00 0.00 C ATOM 514 C ASN A 706 27.370 -27.261 16.339 1.00 0.00 C ATOM 515 O ASN A 706 28.007 -28.078 17.003 1.00 0.00 O ATOM 516 CB ASN A 706 26.456 -27.882 14.101 1.00 0.00 C ATOM 517 CG ASN A 706 27.357 -29.101 13.936 1.00 0.00 C ATOM 518 OD1 ASN A 706 27.217 -30.080 14.668 1.00 0.00 O ATOM 519 ND2 ASN A 706 28.279 -29.100 13.013 1.00 0.00 N ATOM 0 H ASN A 706 24.759 -26.260 14.835 1.00 0.00 H new ATOM 0 HA ASN A 706 25.743 -28.613 15.996 1.00 0.00 H new ATOM 0 HB2 ASN A 706 25.541 -28.015 13.523 1.00 0.00 H new ATOM 0 HB3 ASN A 706 26.955 -26.996 13.709 1.00 0.00 H new ATOM 0 HD21 ASN A 706 28.885 -29.912 12.897 1.00 0.00 H new ATOM 0 HD22 ASN A 706 28.393 -28.287 12.407 1.00 0.00 H new ATOM 526 N ARG A 707 27.720 -25.983 16.236 1.00 0.00 N ATOM 527 CA ARG A 707 28.901 -25.466 16.918 1.00 0.00 C ATOM 528 C ARG A 707 28.725 -25.545 18.432 1.00 0.00 C ATOM 529 O ARG A 707 29.644 -25.933 19.153 1.00 0.00 O ATOM 530 CB ARG A 707 29.150 -24.013 16.507 1.00 0.00 C ATOM 531 CG ARG A 707 29.605 -23.966 15.046 1.00 0.00 C ATOM 532 CD ARG A 707 29.844 -22.513 14.632 1.00 0.00 C ATOM 533 NE ARG A 707 30.262 -22.447 13.235 1.00 0.00 N ATOM 534 CZ ARG A 707 31.529 -22.656 12.868 1.00 0.00 C ATOM 535 NH1 ARG A 707 32.448 -22.943 13.756 1.00 0.00 N ATOM 536 NH2 ARG A 707 31.855 -22.573 11.607 1.00 0.00 N ATOM 0 H ARG A 707 27.207 -25.290 15.691 1.00 0.00 H new ATOM 0 HA ARG A 707 29.757 -26.076 16.631 1.00 0.00 H new ATOM 0 HB2 ARG A 707 28.240 -23.427 16.634 1.00 0.00 H new ATOM 0 HB3 ARG A 707 29.909 -23.567 17.150 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.519 -24.546 14.920 1.00 0.00 H new ATOM 0 HG3 ARG A 707 28.849 -24.419 14.404 1.00 0.00 H new ATOM 0 HD2 ARG A 707 28.932 -21.933 14.774 1.00 0.00 H new ATOM 0 HD3 ARG A 707 30.608 -22.067 15.269 1.00 0.00 H new ATOM 0 HE ARG A 707 29.567 -22.235 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 707 32.200 -23.010 14.743 1.00 0.00 H new ATOM 0 HH12 ARG A 707 33.411 -23.100 13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 707 31.144 -22.350 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 707 32.820 -22.731 11.318 1.00 0.00 H new ATOM 550 N VAL A 708 27.538 -25.173 18.905 1.00 0.00 N ATOM 551 CA VAL A 708 27.256 -25.204 20.336 1.00 0.00 C ATOM 552 C VAL A 708 27.350 -26.631 20.868 1.00 0.00 C ATOM 553 O VAL A 708 27.913 -26.869 21.937 1.00 0.00 O ATOM 554 CB VAL A 708 25.857 -24.649 20.604 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.481 -24.895 22.067 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.845 -23.145 20.323 1.00 0.00 C ATOM 0 H VAL A 708 26.764 -24.850 18.325 1.00 0.00 H new ATOM 0 HA VAL A 708 27.995 -24.587 20.847 1.00 0.00 H new ATOM 0 HB VAL A 708 25.138 -25.148 19.955 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.483 -24.499 22.258 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.491 -25.966 22.270 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.200 -24.395 22.716 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.848 -22.747 20.513 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.565 -22.648 20.973 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.114 -22.967 19.282 1.00 0.00 H new ATOM 566 N ARG A 709 26.793 -27.576 20.116 1.00 0.00 N ATOM 567 CA ARG A 709 26.821 -28.976 20.521 1.00 0.00 C ATOM 568 C ARG A 709 28.259 -29.482 20.602 1.00 0.00 C ATOM 569 O ARG A 709 28.602 -30.263 21.489 1.00 0.00 O ATOM 570 CB ARG A 709 26.031 -29.820 19.514 1.00 0.00 C ATOM 571 CG ARG A 709 26.075 -31.302 19.908 1.00 0.00 C ATOM 572 CD ARG A 709 25.407 -31.505 21.270 1.00 0.00 C ATOM 573 NE ARG A 709 25.321 -32.928 21.581 1.00 0.00 N ATOM 574 CZ ARG A 709 24.896 -33.363 22.770 1.00 0.00 C ATOM 575 NH1 ARG A 709 24.540 -32.519 23.704 1.00 0.00 N ATOM 576 NH2 ARG A 709 24.836 -34.647 23.003 1.00 0.00 N ATOM 0 H ARG A 709 26.320 -27.399 19.230 1.00 0.00 H new ATOM 0 HA ARG A 709 26.365 -29.064 21.507 1.00 0.00 H new ATOM 0 HB2 ARG A 709 24.997 -29.478 19.475 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.447 -29.690 18.515 1.00 0.00 H new ATOM 0 HG2 ARG A 709 25.568 -31.902 19.153 1.00 0.00 H new ATOM 0 HG3 ARG A 709 27.109 -31.645 19.947 1.00 0.00 H new ATOM 0 HD2 ARG A 709 25.977 -30.990 22.043 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.409 -31.066 21.263 1.00 0.00 H new ATOM 0 HE ARG A 709 25.593 -33.609 20.871 1.00 0.00 H new ATOM 0 HH11 ARG A 709 24.585 -31.515 23.528 1.00 0.00 H new ATOM 0 HH12 ARG A 709 24.217 -32.865 24.608 1.00 0.00 H new ATOM 0 HH21 ARG A 709 25.113 -35.310 22.279 1.00 0.00 H new ATOM 0 HH22 ARG A 709 24.512 -34.986 23.909 1.00 0.00 H new