USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 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 687 SER OG : rot 62:sc= 0.275 USER MOD Single : A 689 LYS NZ :NH3+ 159:sc= -0.0961 (180deg=-0.599) USER MOD Single : A 699 SER OG : rot 82:sc= 0.331 USER MOD Single : A 701 MET CE :methyl 156:sc= -0.155 (180deg=-0.916) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 67:sc= 0.704 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 725 LYS NZ :NH3+ -162:sc= -0.0506 (180deg=-0.431) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 17.127 5.660 -22.419 1.00 1.00 N ATOM 2 CA PRO A 685 17.384 6.502 -21.220 1.00 1.00 C ATOM 3 C PRO A 685 16.278 6.308 -20.186 1.00 1.00 C ATOM 4 O PRO A 685 15.137 6.728 -20.391 1.00 1.00 O ATOM 5 CB PRO A 685 17.432 7.959 -21.668 1.00 1.00 C ATOM 6 CG PRO A 685 17.430 7.901 -23.164 1.00 1.00 C ATOM 7 CD PRO A 685 16.812 6.555 -23.562 1.00 1.00 C ATOM 0 HA PRO A 685 18.329 6.216 -20.759 1.00 1.00 H new ATOM 0 HB2 PRO A 685 16.574 8.516 -21.293 1.00 1.00 H new ATOM 0 HB3 PRO A 685 18.325 8.459 -21.293 1.00 1.00 H new ATOM 0 HG2 PRO A 685 16.854 8.727 -23.581 1.00 1.00 H new ATOM 0 HG3 PRO A 685 18.444 7.990 -23.554 1.00 1.00 H new ATOM 0 HD2 PRO A 685 15.736 6.640 -23.717 1.00 1.00 H new ATOM 0 HD3 PRO A 685 17.239 6.180 -24.492 1.00 1.00 H new ATOM 17 N GLU A 686 16.636 5.687 -19.068 1.00 1.00 N ATOM 18 CA GLU A 686 15.687 5.448 -17.989 1.00 1.00 C ATOM 19 C GLU A 686 16.225 6.038 -16.695 1.00 1.00 C ATOM 20 O GLU A 686 17.400 5.870 -16.370 1.00 1.00 O ATOM 21 CB GLU A 686 15.456 3.944 -17.802 1.00 1.00 C ATOM 22 CG GLU A 686 14.736 3.388 -19.030 1.00 1.00 C ATOM 23 CD GLU A 686 14.590 1.876 -18.920 1.00 1.00 C ATOM 24 OE1 GLU A 686 14.980 1.331 -17.902 1.00 1.00 O ATOM 25 OE2 GLU A 686 14.090 1.286 -19.861 1.00 1.00 O ATOM 0 H GLU A 686 17.578 5.340 -18.886 1.00 1.00 H new ATOM 0 HA GLU A 686 14.740 5.923 -18.246 1.00 1.00 H new ATOM 0 HB2 GLU A 686 16.408 3.433 -17.662 1.00 1.00 H new ATOM 0 HB3 GLU A 686 14.863 3.764 -16.906 1.00 1.00 H new ATOM 0 HG2 GLU A 686 13.753 3.849 -19.123 1.00 1.00 H new ATOM 0 HG3 GLU A 686 15.293 3.641 -19.932 1.00 1.00 H new ATOM 32 N SER A 687 15.366 6.728 -15.955 1.00 1.00 N ATOM 33 CA SER A 687 15.781 7.332 -14.691 1.00 1.00 C ATOM 34 C SER A 687 14.568 7.808 -13.888 1.00 1.00 C ATOM 35 O SER A 687 14.476 8.979 -13.521 1.00 1.00 O ATOM 36 CB SER A 687 16.726 8.510 -14.949 1.00 1.00 C ATOM 37 OG SER A 687 16.045 9.514 -15.691 1.00 1.00 O ATOM 0 H SER A 687 14.389 6.883 -16.202 1.00 1.00 H new ATOM 0 HA SER A 687 16.305 6.572 -14.111 1.00 1.00 H new ATOM 0 HB2 SER A 687 17.080 8.920 -14.003 1.00 1.00 H new ATOM 0 HB3 SER A 687 17.605 8.171 -15.498 1.00 1.00 H new ATOM 0 HG SER A 687 15.284 9.846 -15.170 1.00 1.00 H new ATOM 43 N PRO A 688 13.646 6.924 -13.611 1.00 1.00 N ATOM 44 CA PRO A 688 12.412 7.253 -12.832 1.00 1.00 C ATOM 45 C PRO A 688 12.717 7.537 -11.364 1.00 1.00 C ATOM 46 O PRO A 688 13.679 7.006 -10.808 1.00 1.00 O ATOM 47 CB PRO A 688 11.544 6.001 -12.982 1.00 1.00 C ATOM 48 CG PRO A 688 12.512 4.893 -13.218 1.00 1.00 C ATOM 49 CD PRO A 688 13.675 5.504 -14.004 1.00 1.00 C ATOM 0 HA PRO A 688 11.926 8.158 -13.197 1.00 1.00 H new ATOM 0 HB2 PRO A 688 10.949 5.822 -12.086 1.00 1.00 H new ATOM 0 HB3 PRO A 688 10.846 6.101 -13.813 1.00 1.00 H new ATOM 0 HG2 PRO A 688 12.859 4.471 -12.275 1.00 1.00 H new ATOM 0 HG3 PRO A 688 12.047 4.082 -13.778 1.00 1.00 H new ATOM 0 HD2 PRO A 688 14.624 5.035 -13.746 1.00 1.00 H new ATOM 0 HD3 PRO A 688 13.541 5.382 -15.079 1.00 1.00 H new ATOM 57 N LYS A 689 11.888 8.374 -10.744 1.00 1.00 N ATOM 58 CA LYS A 689 12.070 8.727 -9.337 1.00 1.00 C ATOM 59 C LYS A 689 11.218 7.829 -8.448 1.00 1.00 C ATOM 60 O LYS A 689 11.332 7.858 -7.224 1.00 1.00 O ATOM 61 CB LYS A 689 11.689 10.192 -9.107 1.00 1.00 C ATOM 62 CG LYS A 689 12.684 11.098 -9.853 1.00 1.00 C ATOM 63 CD LYS A 689 12.369 12.578 -9.601 1.00 1.00 C ATOM 64 CE LYS A 689 13.382 13.451 -10.347 1.00 1.00 C ATOM 65 NZ LYS A 689 13.291 13.176 -11.805 1.00 1.00 N ATOM 0 H LYS A 689 11.087 8.819 -11.191 1.00 1.00 H new ATOM 0 HA LYS A 689 13.120 8.585 -9.079 1.00 1.00 H new ATOM 0 HB2 LYS A 689 10.675 10.376 -9.462 1.00 1.00 H new ATOM 0 HB3 LYS A 689 11.700 10.420 -8.041 1.00 1.00 H new ATOM 0 HG2 LYS A 689 13.700 10.877 -9.525 1.00 1.00 H new ATOM 0 HG3 LYS A 689 12.641 10.890 -10.922 1.00 1.00 H new ATOM 0 HD2 LYS A 689 11.358 12.808 -9.937 1.00 1.00 H new ATOM 0 HD3 LYS A 689 12.406 12.792 -8.533 1.00 1.00 H new ATOM 0 HE2 LYS A 689 13.184 14.505 -10.151 1.00 1.00 H new ATOM 0 HE3 LYS A 689 14.390 13.244 -9.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 13.689 13.977 -12.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 13.825 12.312 -12.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 12.294 13.046 -12.072 1.00 1.00 H new ATOM 79 N GLY A 690 10.362 7.035 -9.077 1.00 1.00 N ATOM 80 CA GLY A 690 9.486 6.129 -8.344 1.00 1.00 C ATOM 81 C GLY A 690 10.256 5.316 -7.307 1.00 1.00 C ATOM 82 O GLY A 690 9.884 5.284 -6.133 1.00 1.00 O ATOM 0 H GLY A 690 10.255 6.999 -10.091 1.00 1.00 H new ATOM 0 HA2 GLY A 690 8.702 6.702 -7.849 1.00 1.00 H new ATOM 0 HA3 GLY A 690 8.993 5.454 -9.043 1.00 1.00 H new ATOM 86 N PRO A 691 11.303 4.648 -7.719 1.00 1.00 N ATOM 87 CA PRO A 691 12.126 3.803 -6.803 1.00 1.00 C ATOM 88 C PRO A 691 12.742 4.607 -5.652 1.00 1.00 C ATOM 89 O PRO A 691 13.102 5.772 -5.818 1.00 1.00 O ATOM 90 CB PRO A 691 13.222 3.227 -7.702 1.00 1.00 C ATOM 91 CG PRO A 691 12.754 3.415 -9.109 1.00 1.00 C ATOM 92 CD PRO A 691 11.811 4.613 -9.103 1.00 1.00 C ATOM 0 HA PRO A 691 11.518 3.038 -6.320 1.00 1.00 H new ATOM 0 HB2 PRO A 691 14.170 3.739 -7.536 1.00 1.00 H new ATOM 0 HB3 PRO A 691 13.388 2.172 -7.485 1.00 1.00 H new ATOM 0 HG2 PRO A 691 13.597 3.590 -9.777 1.00 1.00 H new ATOM 0 HG3 PRO A 691 12.243 2.522 -9.469 1.00 1.00 H new ATOM 0 HD2 PRO A 691 12.332 5.535 -9.362 1.00 1.00 H new ATOM 0 HD3 PRO A 691 11.003 4.490 -9.824 1.00 1.00 H new ATOM 100 N ASP A 692 12.854 3.969 -4.486 1.00 1.00 N ATOM 101 CA ASP A 692 13.421 4.628 -3.308 1.00 1.00 C ATOM 102 C ASP A 692 14.900 4.949 -3.513 1.00 1.00 C ATOM 103 O ASP A 692 15.682 4.104 -3.949 1.00 1.00 O ATOM 104 CB ASP A 692 13.279 3.710 -2.093 1.00 1.00 C ATOM 105 CG ASP A 692 11.872 3.782 -1.503 1.00 1.00 C ATOM 106 OD1 ASP A 692 11.167 4.737 -1.790 1.00 1.00 O ATOM 107 OD2 ASP A 692 11.522 2.880 -0.760 1.00 1.00 O ATOM 0 H ASP A 692 12.562 3.004 -4.332 1.00 1.00 H new ATOM 0 HA ASP A 692 12.879 5.560 -3.148 1.00 1.00 H new ATOM 0 HB2 ASP A 692 13.502 2.683 -2.383 1.00 1.00 H new ATOM 0 HB3 ASP A 692 14.009 3.993 -1.334 1.00 1.00 H new ATOM 112 N ILE A 693 15.272 6.180 -3.160 1.00 1.00 N ATOM 113 CA ILE A 693 16.659 6.627 -3.271 1.00 1.00 C ATOM 114 C ILE A 693 17.519 5.994 -2.174 1.00 1.00 C ATOM 115 O ILE A 693 18.690 5.677 -2.391 1.00 1.00 O ATOM 116 CB ILE A 693 16.738 8.154 -3.178 1.00 1.00 C ATOM 117 CG1 ILE A 693 18.135 8.620 -3.588 1.00 1.00 C ATOM 118 CG2 ILE A 693 16.479 8.602 -1.739 1.00 1.00 C ATOM 119 CD1 ILE A 693 18.149 10.146 -3.714 1.00 1.00 C ATOM 0 H ILE A 693 14.631 6.885 -2.795 1.00 1.00 H new ATOM 0 HA ILE A 693 17.041 6.311 -4.242 1.00 1.00 H new ATOM 0 HB ILE A 693 15.988 8.586 -3.841 1.00 1.00 H new ATOM 0 HG12 ILE A 693 18.868 8.299 -2.848 1.00 1.00 H new ATOM 0 HG13 ILE A 693 18.418 8.164 -4.537 1.00 1.00 H new ATOM 0 HG21 ILE A 693 16.537 9.689 -1.680 1.00 1.00 H new ATOM 0 HG22 ILE A 693 15.487 8.274 -1.429 1.00 1.00 H new ATOM 0 HG23 ILE A 693 17.229 8.163 -1.081 1.00 1.00 H new ATOM 0 HD11 ILE A 693 19.145 10.478 -4.006 1.00 1.00 H new ATOM 0 HD12 ILE A 693 17.427 10.455 -4.470 1.00 1.00 H new ATOM 0 HD13 ILE A 693 17.885 10.593 -2.756 1.00 1.00 H new ATOM 131 N LEU A 694 16.933 5.849 -0.987 1.00 1.00 N ATOM 132 CA LEU A 694 17.647 5.289 0.160 1.00 1.00 C ATOM 133 C LEU A 694 18.044 3.841 -0.096 1.00 1.00 C ATOM 134 O LEU A 694 19.141 3.416 0.262 1.00 1.00 O ATOM 135 CB LEU A 694 16.767 5.377 1.413 1.00 1.00 C ATOM 136 CG LEU A 694 16.592 6.847 1.825 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.553 6.951 2.951 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.932 7.427 2.303 1.00 1.00 C ATOM 0 H LEU A 694 15.966 6.111 -0.794 1.00 1.00 H new ATOM 0 HA LEU A 694 18.557 5.869 0.314 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.794 4.926 1.217 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.221 4.813 2.228 1.00 1.00 H new ATOM 0 HG LEU A 694 16.248 7.416 0.961 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.433 7.995 3.240 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.598 6.558 2.602 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.890 6.373 3.812 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.795 8.469 2.592 1.00 1.00 H new ATOM 0 HD22 LEU A 694 18.290 6.857 3.160 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.663 7.367 1.496 1.00 1.00 H new ATOM 150 N VAL A 695 17.148 3.084 -0.716 1.00 1.00 N ATOM 151 CA VAL A 695 17.409 1.681 -1.009 1.00 1.00 C ATOM 152 C VAL A 695 18.654 1.527 -1.883 1.00 1.00 C ATOM 153 O VAL A 695 19.478 0.643 -1.647 1.00 1.00 O ATOM 154 CB VAL A 695 16.194 1.073 -1.717 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.564 -0.276 -2.327 1.00 1.00 C ATOM 156 CG2 VAL A 695 15.068 0.873 -0.703 1.00 1.00 C ATOM 0 H VAL A 695 16.235 3.418 -1.025 1.00 1.00 H new ATOM 0 HA VAL A 695 17.587 1.156 -0.070 1.00 1.00 H new ATOM 0 HB VAL A 695 15.868 1.747 -2.509 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.694 -0.700 -2.828 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.368 -0.140 -3.050 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.895 -0.953 -1.539 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.201 0.440 -1.203 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.405 0.201 0.087 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.794 1.835 -0.269 1.00 1.00 H new ATOM 166 N VAL A 696 18.798 2.395 -2.878 1.00 1.00 N ATOM 167 CA VAL A 696 19.966 2.327 -3.752 1.00 1.00 C ATOM 168 C VAL A 696 21.244 2.525 -2.939 1.00 1.00 C ATOM 169 O VAL A 696 22.207 1.776 -3.084 1.00 1.00 O ATOM 170 CB VAL A 696 19.879 3.406 -4.828 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.167 3.400 -5.655 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.684 3.124 -5.739 1.00 1.00 C ATOM 0 H VAL A 696 18.137 3.140 -3.098 1.00 1.00 H new ATOM 0 HA VAL A 696 19.988 1.345 -4.225 1.00 1.00 H new ATOM 0 HB VAL A 696 19.752 4.381 -4.358 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.109 4.169 -6.425 1.00 1.00 H new ATOM 0 HG12 VAL A 696 22.018 3.601 -5.004 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.293 2.425 -6.126 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.622 3.895 -6.507 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.809 2.150 -6.212 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.768 3.126 -5.148 1.00 1.00 H new ATOM 182 N LEU A 697 21.243 3.550 -2.094 1.00 1.00 N ATOM 183 CA LEU A 697 22.412 3.843 -1.270 1.00 1.00 C ATOM 184 C LEU A 697 22.700 2.713 -0.283 1.00 1.00 C ATOM 185 O LEU A 697 23.856 2.353 -0.069 1.00 1.00 O ATOM 186 CB LEU A 697 22.195 5.149 -0.502 1.00 1.00 C ATOM 187 CG LEU A 697 22.232 6.328 -1.479 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.801 7.606 -0.763 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.648 6.521 -2.037 1.00 1.00 C ATOM 0 H LEU A 697 20.456 4.186 -1.961 1.00 1.00 H new ATOM 0 HA LEU A 697 23.270 3.942 -1.934 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.237 5.123 0.017 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.967 5.269 0.258 1.00 1.00 H new ATOM 0 HG LEU A 697 21.549 6.114 -2.302 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.829 8.442 -1.462 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.787 7.485 -0.382 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.479 7.804 0.067 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.655 7.363 -2.729 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.338 6.720 -1.217 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.959 5.618 -2.562 1.00 1.00 H new ATOM 201 N LEU A 698 21.656 2.174 0.336 1.00 1.00 N ATOM 202 CA LEU A 698 21.842 1.105 1.310 1.00 1.00 C ATOM 203 C LEU A 698 22.445 -0.138 0.654 1.00 1.00 C ATOM 204 O LEU A 698 23.283 -0.818 1.248 1.00 1.00 O ATOM 205 CB LEU A 698 20.519 0.747 2.003 1.00 1.00 C ATOM 206 CG LEU A 698 20.307 1.599 3.268 1.00 1.00 C ATOM 207 CD1 LEU A 698 20.000 3.058 2.907 1.00 1.00 C ATOM 208 CD2 LEU A 698 19.125 1.025 4.043 1.00 1.00 C ATOM 0 H LEU A 698 20.687 2.454 0.185 1.00 1.00 H new ATOM 0 HA LEU A 698 22.538 1.471 2.065 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.690 0.903 1.313 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.519 -0.310 2.269 1.00 1.00 H new ATOM 0 HG LEU A 698 21.218 1.576 3.865 1.00 1.00 H new ATOM 0 HD11 LEU A 698 19.855 3.636 3.820 1.00 1.00 H new ATOM 0 HD12 LEU A 698 20.833 3.476 2.341 1.00 1.00 H new ATOM 0 HD13 LEU A 698 19.094 3.100 2.303 1.00 1.00 H new ATOM 0 HD21 LEU A 698 18.959 1.616 4.944 1.00 1.00 H new ATOM 0 HD22 LEU A 698 18.232 1.055 3.419 1.00 1.00 H new ATOM 0 HD23 LEU A 698 19.339 -0.007 4.321 1.00 1.00 H new ATOM 220 N SER A 699 22.020 -0.420 -0.575 1.00 1.00 N ATOM 221 CA SER A 699 22.524 -1.570 -1.323 1.00 1.00 C ATOM 222 C SER A 699 23.996 -1.385 -1.689 1.00 1.00 C ATOM 223 O SER A 699 24.786 -2.330 -1.630 1.00 1.00 O ATOM 224 CB SER A 699 21.713 -1.739 -2.599 1.00 1.00 C ATOM 225 OG SER A 699 20.402 -2.157 -2.261 1.00 1.00 O ATOM 0 H SER A 699 21.325 0.134 -1.076 1.00 1.00 H new ATOM 0 HA SER A 699 22.429 -2.455 -0.694 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.678 -0.799 -3.150 1.00 1.00 H new ATOM 0 HB3 SER A 699 22.186 -2.473 -3.251 1.00 1.00 H new ATOM 0 HG SER A 699 19.866 -1.378 -2.006 1.00 1.00 H new ATOM 231 N VAL A 700 24.350 -0.161 -2.069 1.00 1.00 N ATOM 232 CA VAL A 700 25.726 0.130 -2.446 1.00 1.00 C ATOM 233 C VAL A 700 26.651 -0.072 -1.247 1.00 1.00 C ATOM 234 O VAL A 700 27.712 -0.686 -1.366 1.00 1.00 O ATOM 235 CB VAL A 700 25.825 1.576 -2.941 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.287 1.955 -3.142 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.082 1.731 -4.269 1.00 1.00 C ATOM 0 H VAL A 700 23.713 0.634 -2.123 1.00 1.00 H new ATOM 0 HA VAL A 700 26.030 -0.548 -3.244 1.00 1.00 H new ATOM 0 HB VAL A 700 25.374 2.231 -2.195 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.351 2.985 -3.494 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.821 1.861 -2.196 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.737 1.291 -3.880 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.159 2.763 -4.611 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.524 1.068 -5.013 1.00 1.00 H new ATOM 0 HG23 VAL A 700 24.032 1.472 -4.131 1.00 1.00 H new ATOM 247 N MET A 701 26.246 0.455 -0.091 1.00 1.00 N ATOM 248 CA MET A 701 27.061 0.348 1.118 1.00 1.00 C ATOM 249 C MET A 701 27.286 -1.103 1.527 1.00 1.00 C ATOM 250 O MET A 701 28.396 -1.478 1.911 1.00 1.00 O ATOM 251 CB MET A 701 26.375 1.085 2.269 1.00 1.00 C ATOM 252 CG MET A 701 26.538 2.588 2.064 1.00 1.00 C ATOM 253 SD MET A 701 25.594 3.483 3.326 1.00 1.00 S ATOM 254 CE MET A 701 26.564 2.975 4.764 1.00 1.00 C ATOM 0 H MET A 701 25.366 0.956 0.033 1.00 1.00 H new ATOM 0 HA MET A 701 28.030 0.796 0.899 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.318 0.823 2.307 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.812 0.785 3.222 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.592 2.861 2.123 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.191 2.869 1.070 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.445 3.709 5.561 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.217 2.002 5.112 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.616 2.907 4.488 1.00 1.00 H new ATOM 264 N GLY A 702 26.243 -1.919 1.457 1.00 1.00 N ATOM 265 CA GLY A 702 26.371 -3.315 1.839 1.00 1.00 C ATOM 266 C GLY A 702 27.300 -4.062 0.892 1.00 1.00 C ATOM 267 O GLY A 702 28.150 -4.841 1.327 1.00 1.00 O ATOM 0 H GLY A 702 25.313 -1.642 1.144 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.754 -3.382 2.857 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.389 -3.787 1.836 1.00 1.00 H new ATOM 271 N ALA A 703 27.110 -3.833 -0.404 1.00 1.00 N ATOM 272 CA ALA A 703 27.905 -4.497 -1.431 1.00 1.00 C ATOM 273 C ALA A 703 29.400 -4.220 -1.273 1.00 1.00 C ATOM 274 O ALA A 703 30.216 -5.139 -1.325 1.00 1.00 O ATOM 275 CB ALA A 703 27.439 -4.031 -2.812 1.00 1.00 C ATOM 0 H ALA A 703 26.408 -3.189 -0.769 1.00 1.00 H new ATOM 0 HA ALA A 703 27.758 -5.572 -1.322 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.031 -4.526 -3.582 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.387 -4.283 -2.945 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.566 -2.952 -2.894 1.00 1.00 H new ATOM 281 N ILE A 704 29.749 -2.947 -1.072 1.00 1.00 N ATOM 282 CA ILE A 704 31.149 -2.559 -0.897 1.00 1.00 C ATOM 283 C ILE A 704 31.720 -3.179 0.374 1.00 1.00 C ATOM 284 O ILE A 704 32.847 -3.678 0.389 1.00 1.00 O ATOM 285 CB ILE A 704 31.260 -1.035 -0.795 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.888 -0.407 -2.141 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.694 -0.646 -0.429 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.717 1.105 -1.978 1.00 1.00 C ATOM 0 H ILE A 704 29.086 -2.173 -1.027 1.00 1.00 H new ATOM 0 HA ILE A 704 31.712 -2.916 -1.759 1.00 1.00 H new ATOM 0 HB ILE A 704 30.581 -0.674 -0.023 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.664 -0.617 -2.877 1.00 1.00 H new ATOM 0 HG13 ILE A 704 29.965 -0.848 -2.516 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.770 0.439 -0.357 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.959 -1.092 0.530 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.377 -1.007 -1.198 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.452 1.547 -2.939 1.00 1.00 H new ATOM 0 HD12 ILE A 704 29.926 1.306 -1.256 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.651 1.541 -1.623 1.00 1.00 H new ATOM 300 N LEU A 705 30.937 -3.119 1.447 1.00 1.00 N ATOM 301 CA LEU A 705 31.361 -3.651 2.735 1.00 1.00 C ATOM 302 C LEU A 705 31.556 -5.163 2.669 1.00 1.00 C ATOM 303 O LEU A 705 32.511 -5.696 3.232 1.00 1.00 O ATOM 304 CB LEU A 705 30.310 -3.312 3.805 1.00 1.00 C ATOM 305 CG LEU A 705 30.741 -3.880 5.171 1.00 1.00 C ATOM 306 CD1 LEU A 705 32.096 -3.293 5.579 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.691 -3.526 6.229 1.00 1.00 C ATOM 0 H LEU A 705 30.004 -2.706 1.448 1.00 1.00 H new ATOM 0 HA LEU A 705 32.316 -3.194 2.996 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.186 -2.231 3.875 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.343 -3.726 3.519 1.00 1.00 H new ATOM 0 HG LEU A 705 30.830 -4.964 5.093 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.393 -3.700 6.546 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.845 -3.552 4.831 1.00 1.00 H new ATOM 0 HD13 LEU A 705 32.016 -2.208 5.651 1.00 1.00 H new ATOM 0 HD21 LEU A 705 29.997 -3.928 7.195 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.598 -2.442 6.301 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.730 -3.955 5.946 1.00 1.00 H new ATOM 319 N LEU A 706 30.637 -5.850 2.000 1.00 1.00 N ATOM 320 CA LEU A 706 30.704 -7.304 1.888 1.00 1.00 C ATOM 321 C LEU A 706 31.957 -7.756 1.147 1.00 1.00 C ATOM 322 O LEU A 706 32.619 -8.715 1.545 1.00 1.00 O ATOM 323 CB LEU A 706 29.470 -7.814 1.144 1.00 1.00 C ATOM 324 CG LEU A 706 28.268 -7.831 2.096 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.986 -7.959 1.281 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.358 -9.017 3.071 1.00 1.00 C ATOM 0 H LEU A 706 29.839 -5.426 1.528 1.00 1.00 H new ATOM 0 HA LEU A 706 30.739 -7.716 2.897 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.259 -7.175 0.287 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.654 -8.816 0.756 1.00 1.00 H new ATOM 0 HG LEU A 706 28.266 -6.904 2.669 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.128 -7.972 1.953 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.902 -7.112 0.600 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.011 -8.885 0.707 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.494 -9.008 3.736 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.373 -9.950 2.508 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.271 -8.935 3.661 1.00 1.00 H new ATOM 338 N ILE A 707 32.268 -7.033 0.072 1.00 1.00 N ATOM 339 CA ILE A 707 33.447 -7.327 -0.733 1.00 1.00 C ATOM 340 C ILE A 707 34.713 -7.149 0.094 1.00 1.00 C ATOM 341 O ILE A 707 35.614 -7.988 0.060 1.00 1.00 O ATOM 342 CB ILE A 707 33.477 -6.389 -1.944 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.355 -6.791 -2.913 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.841 -6.472 -2.634 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.164 -5.698 -3.972 1.00 1.00 C ATOM 0 H ILE A 707 31.718 -6.240 -0.259 1.00 1.00 H new ATOM 0 HA ILE A 707 33.400 -8.362 -1.072 1.00 1.00 H new ATOM 0 HB ILE A 707 33.321 -5.360 -1.621 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.600 -7.737 -3.395 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.426 -6.944 -2.364 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.855 -5.803 -3.494 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.622 -6.178 -1.933 1.00 1.00 H new ATOM 0 HG23 ILE A 707 35.019 -7.495 -2.967 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.367 -5.989 -4.656 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.898 -4.761 -3.483 1.00 1.00 H new ATOM 0 HD13 ILE A 707 33.091 -5.566 -4.530 1.00 1.00 H new ATOM 357 N GLY A 708 34.759 -6.059 0.849 1.00 1.00 N ATOM 358 CA GLY A 708 35.913 -5.781 1.700 1.00 1.00 C ATOM 359 C GLY A 708 36.140 -6.922 2.691 1.00 1.00 C ATOM 360 O GLY A 708 37.277 -7.331 2.931 1.00 1.00 O ATOM 0 H GLY A 708 34.019 -5.358 0.891 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.802 -5.646 1.084 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.756 -4.848 2.241 1.00 1.00 H new ATOM 364 N LEU A 709 35.057 -7.440 3.261 1.00 1.00 N ATOM 365 CA LEU A 709 35.175 -8.537 4.214 1.00 1.00 C ATOM 366 C LEU A 709 35.757 -9.768 3.525 1.00 1.00 C ATOM 367 O LEU A 709 36.649 -10.423 4.062 1.00 1.00 O ATOM 368 CB LEU A 709 33.798 -8.863 4.802 1.00 1.00 C ATOM 369 CG LEU A 709 33.356 -7.728 5.729 1.00 1.00 C ATOM 370 CD1 LEU A 709 31.891 -7.941 6.114 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.232 -7.703 6.992 1.00 1.00 C ATOM 0 H LEU A 709 34.103 -7.125 3.084 1.00 1.00 H new ATOM 0 HA LEU A 709 35.844 -8.238 5.021 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.071 -8.996 4.001 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.840 -9.802 5.354 1.00 1.00 H new ATOM 0 HG LEU A 709 33.465 -6.774 5.213 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.568 -7.137 6.775 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.275 -7.942 5.215 1.00 1.00 H new ATOM 0 HD13 LEU A 709 31.785 -8.897 6.627 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.908 -6.891 7.644 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.137 -8.652 7.520 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.273 -7.548 6.710 1.00 1.00 H new ATOM 383 N ALA A 710 35.259 -10.073 2.329 1.00 1.00 N ATOM 384 CA ALA A 710 35.762 -11.227 1.586 1.00 1.00 C ATOM 385 C ALA A 710 37.213 -11.018 1.217 1.00 1.00 C ATOM 386 O ALA A 710 38.004 -11.958 1.234 1.00 1.00 O ATOM 387 CB ALA A 710 34.964 -11.442 0.305 1.00 1.00 C ATOM 0 H ALA A 710 34.521 -9.548 1.860 1.00 1.00 H new ATOM 0 HA ALA A 710 35.659 -12.102 2.227 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.359 -12.307 -0.229 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.917 -11.616 0.553 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.045 -10.558 -0.327 1.00 1.00 H new ATOM 393 N ALA A 711 37.555 -9.785 0.877 1.00 1.00 N ATOM 394 CA ALA A 711 38.923 -9.483 0.496 1.00 1.00 C ATOM 395 C ALA A 711 39.872 -9.748 1.666 1.00 1.00 C ATOM 396 O ALA A 711 40.948 -10.322 1.490 1.00 1.00 O ATOM 397 CB ALA A 711 39.022 -8.024 0.064 1.00 1.00 C ATOM 0 H ALA A 711 36.916 -8.990 0.857 1.00 1.00 H new ATOM 0 HA ALA A 711 39.210 -10.126 -0.336 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.049 -7.798 -0.222 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.362 -7.851 -0.786 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.725 -7.379 0.891 1.00 1.00 H new ATOM 403 N LEU A 712 39.466 -9.313 2.857 1.00 1.00 N ATOM 404 CA LEU A 712 40.271 -9.483 4.068 1.00 1.00 C ATOM 405 C LEU A 712 40.462 -10.962 4.431 1.00 1.00 C ATOM 406 O LEU A 712 41.530 -11.367 4.896 1.00 1.00 O ATOM 407 CB LEU A 712 39.578 -8.764 5.236 1.00 1.00 C ATOM 408 CG LEU A 712 40.444 -8.833 6.506 1.00 1.00 C ATOM 409 CD1 LEU A 712 41.779 -8.130 6.272 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.719 -8.152 7.671 1.00 1.00 C ATOM 0 H LEU A 712 38.577 -8.836 3.011 1.00 1.00 H new ATOM 0 HA LEU A 712 41.256 -9.056 3.878 1.00 1.00 H new ATOM 0 HB2 LEU A 712 39.394 -7.723 4.971 1.00 1.00 H new ATOM 0 HB3 LEU A 712 38.607 -9.221 5.426 1.00 1.00 H new ATOM 0 HG LEU A 712 40.622 -9.881 6.747 1.00 1.00 H new ATOM 0 HD11 LEU A 712 42.383 -8.185 7.178 1.00 1.00 H new ATOM 0 HD12 LEU A 712 42.308 -8.617 5.453 1.00 1.00 H new ATOM 0 HD13 LEU A 712 41.600 -7.085 6.018 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.339 -8.205 8.566 1.00 1.00 H new ATOM 0 HD22 LEU A 712 39.530 -7.108 7.422 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.771 -8.658 7.855 1.00 1.00 H new ATOM 422 N LEU A 713 39.394 -11.746 4.270 1.00 1.00 N ATOM 423 CA LEU A 713 39.416 -13.165 4.630 1.00 1.00 C ATOM 424 C LEU A 713 40.400 -13.970 3.797 1.00 1.00 C ATOM 425 O LEU A 713 41.146 -14.795 4.322 1.00 1.00 O ATOM 426 CB LEU A 713 38.020 -13.760 4.449 1.00 1.00 C ATOM 427 CG LEU A 713 37.130 -13.354 5.629 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.663 -13.634 5.287 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.525 -14.140 6.892 1.00 1.00 C ATOM 0 H LEU A 713 38.503 -11.422 3.893 1.00 1.00 H new ATOM 0 HA LEU A 713 39.736 -13.222 5.670 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.583 -13.410 3.514 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.082 -14.846 4.385 1.00 1.00 H new ATOM 0 HG LEU A 713 37.264 -12.289 5.821 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.032 -13.345 6.127 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.379 -13.060 4.405 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.533 -14.697 5.085 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.884 -13.841 7.722 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.406 -15.208 6.708 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.565 -13.928 7.142 1.00 1.00 H new ATOM 441 N ILE A 714 40.406 -13.720 2.494 1.00 1.00 N ATOM 442 CA ILE A 714 41.323 -14.430 1.619 1.00 1.00 C ATOM 443 C ILE A 714 42.753 -14.037 1.960 1.00 1.00 C ATOM 444 O ILE A 714 43.661 -14.866 1.939 1.00 1.00 O ATOM 445 CB ILE A 714 41.028 -14.142 0.140 1.00 1.00 C ATOM 446 CG1 ILE A 714 40.991 -12.632 -0.128 1.00 1.00 C ATOM 447 CG2 ILE A 714 39.680 -14.759 -0.244 1.00 1.00 C ATOM 448 CD1 ILE A 714 40.940 -12.391 -1.638 1.00 1.00 C ATOM 0 H ILE A 714 39.799 -13.045 2.029 1.00 1.00 H new ATOM 0 HA ILE A 714 41.190 -15.500 1.776 1.00 1.00 H new ATOM 0 HB ILE A 714 41.824 -14.582 -0.461 1.00 1.00 H new ATOM 0 HG12 ILE A 714 40.120 -12.186 0.353 1.00 1.00 H new ATOM 0 HG13 ILE A 714 41.872 -12.153 0.299 1.00 1.00 H new ATOM 0 HG21 ILE A 714 39.472 -14.554 -1.294 1.00 1.00 H new ATOM 0 HG22 ILE A 714 39.715 -15.837 -0.085 1.00 1.00 H new ATOM 0 HG23 ILE A 714 38.893 -14.326 0.373 1.00 1.00 H new ATOM 0 HD11 ILE A 714 40.914 -11.319 -1.835 1.00 1.00 H new ATOM 0 HD12 ILE A 714 41.824 -12.824 -2.106 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.046 -12.858 -2.051 1.00 1.00 H new ATOM 460 N TRP A 715 42.940 -12.765 2.276 1.00 1.00 N ATOM 461 CA TRP A 715 44.280 -12.319 2.620 1.00 1.00 C ATOM 462 C TRP A 715 44.809 -13.170 3.790 1.00 1.00 C ATOM 463 O TRP A 715 45.936 -13.666 3.755 1.00 1.00 O ATOM 464 CB TRP A 715 44.256 -10.833 2.995 1.00 1.00 C ATOM 465 CG TRP A 715 45.629 -10.334 3.325 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.806 -10.983 3.090 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.982 -9.084 3.979 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.843 -10.187 3.537 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.387 -9.018 4.099 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.222 -8.006 4.475 1.00 1.00 C ATOM 471 CZ2 TRP A 715 48.019 -7.926 4.680 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.860 -6.902 5.066 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.257 -6.867 5.168 1.00 1.00 C ATOM 0 H TRP A 715 42.214 -12.049 2.302 1.00 1.00 H new ATOM 0 HA TRP A 715 44.943 -12.442 1.764 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.845 -10.254 2.168 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.596 -10.682 3.849 1.00 1.00 H new ATOM 0 HD1 TRP A 715 46.910 -11.955 2.632 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.829 -10.437 3.459 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.145 -8.028 4.401 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.096 -7.898 4.753 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.272 -6.078 5.443 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.743 -6.018 5.625 1.00 1.00 H new ATOM 484 N LYS A 716 43.977 -13.335 4.825 1.00 1.00 N ATOM 485 CA LYS A 716 44.359 -14.125 6.001 1.00 1.00 C ATOM 486 C LYS A 716 44.645 -15.575 5.599 1.00 1.00 C ATOM 487 O LYS A 716 45.581 -16.189 6.113 1.00 1.00 O ATOM 488 CB LYS A 716 43.216 -14.096 7.036 1.00 1.00 C ATOM 489 CG LYS A 716 43.588 -14.789 8.373 1.00 1.00 C ATOM 490 CD LYS A 716 44.407 -13.897 9.351 1.00 1.00 C ATOM 491 CE LYS A 716 45.856 -13.646 8.914 1.00 1.00 C ATOM 492 NZ LYS A 716 46.620 -13.146 10.092 1.00 1.00 N ATOM 0 H LYS A 716 43.040 -12.935 4.872 1.00 1.00 H new ATOM 0 HA LYS A 716 45.261 -13.694 6.436 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.940 -13.060 7.235 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.338 -14.584 6.613 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.672 -15.107 8.871 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.162 -15.690 8.154 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.901 -12.938 9.459 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.413 -14.367 10.334 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.303 -14.565 8.534 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.888 -12.917 8.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.607 -12.969 9.816 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.192 -12.262 10.433 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.595 -13.858 10.850 1.00 1.00 H new ATOM 506 N LEU A 717 43.842 -16.109 4.681 1.00 1.00 N ATOM 507 CA LEU A 717 44.035 -17.489 4.223 1.00 1.00 C ATOM 508 C LEU A 717 45.413 -17.632 3.577 1.00 1.00 C ATOM 509 O LEU A 717 46.076 -18.653 3.763 1.00 1.00 O ATOM 510 CB LEU A 717 42.934 -17.897 3.231 1.00 1.00 C ATOM 511 CG LEU A 717 41.597 -18.010 3.969 1.00 1.00 C ATOM 512 CD1 LEU A 717 40.464 -18.191 2.954 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.616 -19.206 4.935 1.00 1.00 C ATOM 0 H LEU A 717 43.062 -15.619 4.243 1.00 1.00 H new ATOM 0 HA LEU A 717 43.974 -18.153 5.085 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.859 -17.160 2.431 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.185 -18.849 2.764 1.00 1.00 H new ATOM 0 HG LEU A 717 41.435 -17.097 4.542 1.00 1.00 H new ATOM 0 HD11 LEU A 717 39.513 -18.271 3.481 1.00 1.00 H new ATOM 0 HD12 LEU A 717 40.436 -17.332 2.283 1.00 1.00 H new ATOM 0 HD13 LEU A 717 40.636 -19.098 2.375 1.00 1.00 H new ATOM 0 HD21 LEU A 717 40.658 -19.272 5.451 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.790 -20.124 4.374 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.414 -19.071 5.666 1.00 1.00 H new ATOM 525 N LEU A 718 45.836 -16.636 2.805 1.00 1.00 N ATOM 526 CA LEU A 718 47.132 -16.714 2.133 1.00 1.00 C ATOM 527 C LEU A 718 48.267 -16.810 3.149 1.00 1.00 C ATOM 528 O LEU A 718 49.115 -17.697 3.078 1.00 1.00 O ATOM 529 CB LEU A 718 47.336 -15.468 1.256 1.00 1.00 C ATOM 530 CG LEU A 718 46.349 -15.462 0.077 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.480 -14.136 -0.675 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.665 -16.606 -0.887 1.00 1.00 C ATOM 0 H LEU A 718 45.312 -15.779 2.630 1.00 1.00 H new ATOM 0 HA LEU A 718 47.143 -17.610 1.512 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.198 -14.569 1.856 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.359 -15.446 0.880 1.00 1.00 H new ATOM 0 HG LEU A 718 45.337 -15.586 0.462 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.783 -14.123 -1.513 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.252 -13.311 -0.000 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.499 -14.028 -1.048 1.00 1.00 H new ATOM 0 HD21 LEU A 718 45.958 -16.589 -1.716 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.678 -16.488 -1.271 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.584 -17.557 -0.361 1.00 1.00 H new ATOM 544 N ILE A 719 48.280 -15.871 4.085 1.00 1.00 N ATOM 545 CA ILE A 719 49.308 -15.816 5.114 1.00 1.00 C ATOM 546 C ILE A 719 49.196 -16.964 6.116 1.00 1.00 C ATOM 547 O ILE A 719 50.208 -17.553 6.495 1.00 1.00 O ATOM 548 CB ILE A 719 49.219 -14.476 5.856 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.619 -13.337 4.911 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.163 -14.484 7.060 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.315 -11.982 5.565 1.00 1.00 C ATOM 0 H ILE A 719 47.582 -15.130 4.152 1.00 1.00 H new ATOM 0 HA ILE A 719 50.273 -15.913 4.616 1.00 1.00 H new ATOM 0 HB ILE A 719 48.195 -14.328 6.199 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.681 -13.406 4.674 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.076 -13.426 3.970 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.095 -13.530 7.582 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.881 -15.290 7.738 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.187 -14.638 6.719 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.602 -11.178 4.887 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.249 -11.912 5.779 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.878 -11.892 6.494 1.00 1.00 H new ATOM 563 N THR A 720 47.985 -17.291 6.541 1.00 1.00 N ATOM 564 CA THR A 720 47.794 -18.379 7.493 1.00 1.00 C ATOM 565 C THR A 720 48.247 -19.710 6.889 1.00 1.00 C ATOM 566 O THR A 720 48.936 -20.490 7.542 1.00 1.00 O ATOM 567 CB THR A 720 46.320 -18.452 7.886 1.00 1.00 C ATOM 568 OG1 THR A 720 45.944 -17.223 8.494 1.00 1.00 O ATOM 569 CG2 THR A 720 46.092 -19.607 8.871 1.00 1.00 C ATOM 0 H THR A 720 47.127 -16.825 6.247 1.00 1.00 H new ATOM 0 HA THR A 720 48.398 -18.187 8.380 1.00 1.00 H new ATOM 0 HB THR A 720 45.715 -18.627 6.996 1.00 1.00 H new ATOM 0 HG1 THR A 720 45.977 -16.505 7.828 1.00 1.00 H new ATOM 0 HG21 THR A 720 45.038 -19.649 9.144 1.00 1.00 H new ATOM 0 HG22 THR A 720 46.384 -20.547 8.403 1.00 1.00 H new ATOM 0 HG23 THR A 720 46.693 -19.446 9.766 1.00 1.00 H new ATOM 577 N ILE A 721 47.860 -19.964 5.640 1.00 1.00 N ATOM 578 CA ILE A 721 48.244 -21.207 4.966 1.00 1.00 C ATOM 579 C ILE A 721 49.602 -21.031 4.288 1.00 1.00 C ATOM 580 O ILE A 721 50.148 -21.962 3.693 1.00 1.00 O ATOM 581 CB ILE A 721 47.188 -21.589 3.923 1.00 1.00 C ATOM 582 CG1 ILE A 721 45.856 -21.870 4.623 1.00 1.00 C ATOM 583 CG2 ILE A 721 47.641 -22.843 3.171 1.00 1.00 C ATOM 584 CD1 ILE A 721 44.741 -21.917 3.580 1.00 1.00 C ATOM 0 H ILE A 721 47.287 -19.335 5.078 1.00 1.00 H new ATOM 0 HA ILE A 721 48.314 -22.004 5.707 1.00 1.00 H new ATOM 0 HB ILE A 721 47.063 -20.767 3.218 1.00 1.00 H new ATOM 0 HG12 ILE A 721 45.907 -22.816 5.161 1.00 1.00 H new ATOM 0 HG13 ILE A 721 45.648 -21.095 5.360 1.00 1.00 H new ATOM 0 HG21 ILE A 721 46.889 -23.114 2.429 1.00 1.00 H new ATOM 0 HG22 ILE A 721 48.589 -22.645 2.671 1.00 1.00 H new ATOM 0 HG23 ILE A 721 47.767 -23.664 3.876 1.00 1.00 H new ATOM 0 HD11 ILE A 721 43.790 -22.117 4.073 1.00 1.00 H new ATOM 0 HD12 ILE A 721 44.687 -20.960 3.062 1.00 1.00 H new ATOM 0 HD13 ILE A 721 44.950 -22.708 2.860 1.00 1.00 H new ATOM 596 N HIS A 722 50.134 -19.826 4.397 1.00 1.00 N ATOM 597 CA HIS A 722 51.429 -19.511 3.810 1.00 1.00 C ATOM 598 C HIS A 722 51.471 -19.895 2.334 1.00 1.00 C ATOM 599 O HIS A 722 50.561 -20.540 1.813 1.00 1.00 O ATOM 600 CB HIS A 722 52.546 -20.253 4.555 1.00 1.00 C ATOM 601 CG HIS A 722 52.627 -19.778 5.988 1.00 1.00 C ATOM 602 ND1 HIS A 722 53.065 -18.505 6.326 1.00 1.00 N ATOM 603 CD2 HIS A 722 52.340 -20.399 7.181 1.00 1.00 C ATOM 604 CE1 HIS A 722 53.028 -18.402 7.667 1.00 1.00 C ATOM 605 NE2 HIS A 722 52.595 -19.527 8.239 1.00 1.00 N ATOM 0 H HIS A 722 49.691 -19.048 4.886 1.00 1.00 H new ATOM 0 HA HIS A 722 51.580 -18.435 3.899 1.00 1.00 H new ATOM 0 HB2 HIS A 722 52.358 -21.326 4.531 1.00 1.00 H new ATOM 0 HB3 HIS A 722 53.500 -20.085 4.055 1.00 1.00 H new ATOM 0 HD2 HIS A 722 51.973 -21.409 7.283 1.00 1.00 H new ATOM 0 HE1 HIS A 722 53.314 -17.516 8.214 1.00 1.00 H new ATOM 0 HE2 HIS A 722 52.476 -19.710 9.235 1.00 1.00 H new ATOM 613 N ASP A 723 52.542 -19.482 1.671 1.00 1.00 N ATOM 614 CA ASP A 723 52.725 -19.764 0.253 1.00 1.00 C ATOM 615 C ASP A 723 52.906 -21.263 0.009 1.00 1.00 C ATOM 616 O ASP A 723 53.523 -21.959 0.813 1.00 1.00 O ATOM 617 CB ASP A 723 53.954 -19.010 -0.260 1.00 1.00 C ATOM 618 CG ASP A 723 53.677 -17.512 -0.288 1.00 1.00 C ATOM 619 OD1 ASP A 723 52.528 -17.139 -0.119 1.00 1.00 O ATOM 620 OD2 ASP A 723 54.618 -16.759 -0.477 1.00 1.00 O ATOM 0 H ASP A 723 53.301 -18.948 2.094 1.00 1.00 H new ATOM 0 HA ASP A 723 51.834 -19.435 -0.282 1.00 1.00 H new ATOM 0 HB2 ASP A 723 54.811 -19.217 0.381 1.00 1.00 H new ATOM 0 HB3 ASP A 723 54.213 -19.358 -1.260 1.00 1.00 H new ATOM 625 N ARG A 724 52.363 -21.754 -1.105 1.00 1.00 N ATOM 626 CA ARG A 724 52.470 -23.171 -1.438 1.00 1.00 C ATOM 627 C ARG A 724 53.900 -23.536 -1.830 1.00 1.00 C ATOM 628 O ARG A 724 54.553 -22.824 -2.594 1.00 1.00 O ATOM 629 CB ARG A 724 51.523 -23.502 -2.594 1.00 1.00 C ATOM 630 CG ARG A 724 51.545 -25.003 -2.886 1.00 1.00 C ATOM 631 CD ARG A 724 50.652 -25.269 -4.096 1.00 1.00 C ATOM 632 NE ARG A 724 49.261 -24.941 -3.782 1.00 1.00 N ATOM 633 CZ ARG A 724 48.465 -25.814 -3.172 1.00 1.00 C ATOM 634 NH1 ARG A 724 48.923 -26.983 -2.844 1.00 1.00 N ATOM 635 NH2 ARG A 724 47.224 -25.502 -2.900 1.00 1.00 N ATOM 0 H ARG A 724 51.849 -21.195 -1.786 1.00 1.00 H new ATOM 0 HA ARG A 724 52.195 -23.751 -0.557 1.00 1.00 H new ATOM 0 HB2 ARG A 724 50.510 -23.188 -2.344 1.00 1.00 H new ATOM 0 HB3 ARG A 724 51.818 -22.947 -3.485 1.00 1.00 H new ATOM 0 HG2 ARG A 724 52.564 -25.336 -3.085 1.00 1.00 H new ATOM 0 HG3 ARG A 724 51.190 -25.563 -2.021 1.00 1.00 H new ATOM 0 HD2 ARG A 724 50.991 -24.674 -4.944 1.00 1.00 H new ATOM 0 HD3 ARG A 724 50.729 -26.316 -4.390 1.00 1.00 H new ATOM 0 HE ARG A 724 48.894 -24.024 -4.036 1.00 1.00 H new ATOM 0 HH11 ARG A 724 49.890 -27.229 -3.054 1.00 1.00 H new ATOM 0 HH12 ARG A 724 48.316 -27.656 -2.376 1.00 1.00 H new ATOM 0 HH21 ARG A 724 46.861 -24.584 -3.156 1.00 1.00 H new ATOM 0 HH22 ARG A 724 46.619 -26.177 -2.432 1.00 1.00 H new ATOM 649 N LYS A 725 54.370 -24.656 -1.300 1.00 1.00 N ATOM 650 CA LYS A 725 55.714 -25.118 -1.595 1.00 1.00 C ATOM 651 C LYS A 725 56.734 -24.071 -1.173 1.00 1.00 C ATOM 652 O LYS A 725 57.483 -23.545 -1.999 1.00 1.00 O ATOM 653 CB LYS A 725 55.844 -25.410 -3.094 1.00 1.00 C ATOM 654 CG LYS A 725 57.083 -26.272 -3.350 1.00 1.00 C ATOM 655 CD LYS A 725 57.136 -26.681 -4.824 1.00 1.00 C ATOM 656 CE LYS A 725 58.333 -27.612 -5.043 1.00 1.00 C ATOM 657 NZ LYS A 725 59.607 -26.899 -4.710 1.00 1.00 N ATOM 0 H LYS A 725 53.842 -25.257 -0.667 1.00 1.00 H new ATOM 0 HA LYS A 725 55.906 -26.034 -1.036 1.00 1.00 H new ATOM 0 HB2 LYS A 725 54.952 -25.924 -3.452 1.00 1.00 H new ATOM 0 HB3 LYS A 725 55.919 -24.476 -3.650 1.00 1.00 H new ATOM 0 HG2 LYS A 725 57.983 -25.718 -3.084 1.00 1.00 H new ATOM 0 HG3 LYS A 725 57.057 -27.160 -2.718 1.00 1.00 H new ATOM 0 HD2 LYS A 725 56.212 -27.184 -5.108 1.00 1.00 H new ATOM 0 HD3 LYS A 725 57.226 -25.798 -5.456 1.00 1.00 H new ATOM 0 HE2 LYS A 725 58.231 -28.501 -4.420 1.00 1.00 H new ATOM 0 HE3 LYS A 725 58.356 -27.950 -6.079 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 60.409 -27.404 -5.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 59.570 -25.929 -5.083 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 59.728 -26.868 -3.678 1.00 1.00 H new ATOM 671 N GLU A 726 56.754 -23.770 0.123 1.00 1.00 N ATOM 672 CA GLU A 726 57.686 -22.783 0.656 1.00 1.00 C ATOM 673 C GLU A 726 59.117 -23.260 0.444 1.00 1.00 C ATOM 674 O GLU A 726 59.990 -22.483 0.052 1.00 1.00 O ATOM 675 CB GLU A 726 57.429 -22.564 2.152 1.00 1.00 C ATOM 676 CG GLU A 726 58.335 -21.450 2.676 1.00 1.00 C ATOM 677 CD GLU A 726 58.013 -21.168 4.138 1.00 1.00 C ATOM 678 OE1 GLU A 726 56.966 -21.604 4.589 1.00 1.00 O ATOM 679 OE2 GLU A 726 58.812 -20.513 4.785 1.00 1.00 O ATOM 0 H GLU A 726 56.139 -24.193 0.819 1.00 1.00 H new ATOM 0 HA GLU A 726 57.538 -21.839 0.131 1.00 1.00 H new ATOM 0 HB2 GLU A 726 56.384 -22.302 2.316 1.00 1.00 H new ATOM 0 HB3 GLU A 726 57.617 -23.487 2.701 1.00 1.00 H new ATOM 0 HG2 GLU A 726 59.381 -21.741 2.574 1.00 1.00 H new ATOM 0 HG3 GLU A 726 58.196 -20.546 2.083 1.00 1.00 H new ATOM 686 N PHE A 727 59.346 -24.547 0.689 1.00 1.00 N ATOM 687 CA PHE A 727 60.672 -25.123 0.509 1.00 1.00 C ATOM 688 C PHE A 727 60.959 -25.327 -0.981 1.00 1.00 C ATOM 689 O PHE A 727 60.443 -24.554 -1.772 1.00 1.00 O ATOM 690 CB PHE A 727 60.767 -26.462 1.251 1.00 1.00 C ATOM 691 CG PHE A 727 60.685 -26.218 2.735 1.00 1.00 C ATOM 692 CD1 PHE A 727 61.848 -25.960 3.462 1.00 1.00 C ATOM 693 CD2 PHE A 727 59.446 -26.249 3.382 1.00 1.00 C ATOM 694 CE1 PHE A 727 61.776 -25.730 4.842 1.00 1.00 C ATOM 695 CE2 PHE A 727 59.370 -26.020 4.759 1.00 1.00 C ATOM 696 CZ PHE A 727 60.535 -25.761 5.492 1.00 1.00 C ATOM 697 OXT PHE A 727 61.686 -26.249 -1.309 1.00 1.00 O ATOM 0 H PHE A 727 58.636 -25.205 1.010 1.00 1.00 H new ATOM 0 HA PHE A 727 61.413 -24.438 0.920 1.00 1.00 H new ATOM 0 HB2 PHE A 727 59.960 -27.124 0.935 1.00 1.00 H new ATOM 0 HB3 PHE A 727 61.704 -26.961 1.005 1.00 1.00 H new ATOM 0 HD1 PHE A 727 62.804 -25.938 2.960 1.00 1.00 H new ATOM 0 HD2 PHE A 727 58.547 -26.450 2.818 1.00 1.00 H new ATOM 0 HE1 PHE A 727 62.676 -25.529 5.404 1.00 1.00 H new ATOM 0 HE2 PHE A 727 58.412 -26.043 5.258 1.00 1.00 H new ATOM 0 HZ PHE A 727 60.477 -25.586 6.556 1.00 1.00 H new TER 707 PHE A 727