USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=4 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 180:sc= 0 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 84:sc= 1.23 USER MOD Single : A 701 MET CE :methyl 158:sc= -0.0692 (180deg=-0.601) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 74:sc= 0.0419 USER MOD Single : A 722 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.4) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 10.433 13.612 -3.443 1.00 1.00 N ATOM 2 CA PRO A 685 10.253 13.493 -1.980 1.00 1.00 C ATOM 3 C PRO A 685 8.822 13.062 -1.673 1.00 1.00 C ATOM 4 O PRO A 685 8.549 12.503 -0.611 1.00 1.00 O ATOM 5 CB PRO A 685 10.547 14.848 -1.346 1.00 1.00 C ATOM 6 CG PRO A 685 10.996 15.738 -2.466 1.00 1.00 C ATOM 7 CD PRO A 685 11.152 14.879 -3.738 1.00 1.00 C ATOM 0 HA PRO A 685 10.933 12.744 -1.574 1.00 1.00 H new ATOM 0 HB2 PRO A 685 9.660 15.252 -0.858 1.00 1.00 H new ATOM 0 HB3 PRO A 685 11.320 14.762 -0.582 1.00 1.00 H new ATOM 0 HG2 PRO A 685 10.270 16.534 -2.632 1.00 1.00 H new ATOM 0 HG3 PRO A 685 11.942 16.217 -2.214 1.00 1.00 H new ATOM 0 HD2 PRO A 685 10.726 15.381 -4.607 1.00 1.00 H new ATOM 0 HD3 PRO A 685 12.203 14.693 -3.961 1.00 1.00 H new ATOM 17 N GLU A 686 7.917 13.320 -2.614 1.00 1.00 N ATOM 18 CA GLU A 686 6.513 12.949 -2.442 1.00 1.00 C ATOM 19 C GLU A 686 6.078 12.003 -3.553 1.00 1.00 C ATOM 20 O GLU A 686 6.352 12.245 -4.728 1.00 1.00 O ATOM 21 CB GLU A 686 5.630 14.200 -2.458 1.00 1.00 C ATOM 22 CG GLU A 686 4.169 13.801 -2.229 1.00 1.00 C ATOM 23 CD GLU A 686 3.293 15.047 -2.137 1.00 1.00 C ATOM 24 OE1 GLU A 686 3.843 16.126 -1.996 1.00 1.00 O ATOM 25 OE2 GLU A 686 2.083 14.903 -2.210 1.00 1.00 O ATOM 0 H GLU A 686 8.128 13.782 -3.499 1.00 1.00 H new ATOM 0 HA GLU A 686 6.403 12.446 -1.481 1.00 1.00 H new ATOM 0 HB2 GLU A 686 5.953 14.895 -1.683 1.00 1.00 H new ATOM 0 HB3 GLU A 686 5.731 14.717 -3.412 1.00 1.00 H new ATOM 0 HG2 GLU A 686 3.826 13.165 -3.045 1.00 1.00 H new ATOM 0 HG3 GLU A 686 4.083 13.218 -1.312 1.00 1.00 H new ATOM 32 N SER A 687 5.399 10.924 -3.178 1.00 1.00 N ATOM 33 CA SER A 687 4.936 9.957 -4.162 1.00 1.00 C ATOM 34 C SER A 687 6.062 9.628 -5.138 1.00 1.00 C ATOM 35 O SER A 687 5.944 9.873 -6.338 1.00 1.00 O ATOM 36 CB SER A 687 3.744 10.530 -4.928 1.00 1.00 C ATOM 37 OG SER A 687 2.623 10.607 -4.058 1.00 1.00 O ATOM 0 H SER A 687 5.160 10.700 -2.212 1.00 1.00 H new ATOM 0 HA SER A 687 4.631 9.046 -3.648 1.00 1.00 H new ATOM 0 HB2 SER A 687 3.987 11.519 -5.316 1.00 1.00 H new ATOM 0 HB3 SER A 687 3.511 9.900 -5.786 1.00 1.00 H new ATOM 0 HG SER A 687 1.856 10.976 -4.544 1.00 1.00 H new ATOM 43 N PRO A 688 7.149 9.095 -4.644 1.00 1.00 N ATOM 44 CA PRO A 688 8.327 8.745 -5.490 1.00 1.00 C ATOM 45 C PRO A 688 8.055 7.557 -6.411 1.00 1.00 C ATOM 46 O PRO A 688 7.312 6.642 -6.058 1.00 1.00 O ATOM 47 CB PRO A 688 9.423 8.423 -4.471 1.00 1.00 C ATOM 48 CG PRO A 688 8.703 8.003 -3.233 1.00 1.00 C ATOM 49 CD PRO A 688 7.374 8.761 -3.226 1.00 1.00 C ATOM 0 HA PRO A 688 8.598 9.555 -6.167 1.00 1.00 H new ATOM 0 HB2 PRO A 688 10.076 7.629 -4.834 1.00 1.00 H new ATOM 0 HB3 PRO A 688 10.053 9.293 -4.283 1.00 1.00 H new ATOM 0 HG2 PRO A 688 8.535 6.926 -3.228 1.00 1.00 H new ATOM 0 HG3 PRO A 688 9.289 8.239 -2.345 1.00 1.00 H new ATOM 0 HD2 PRO A 688 6.566 8.147 -2.827 1.00 1.00 H new ATOM 0 HD3 PRO A 688 7.429 9.657 -2.608 1.00 1.00 H new ATOM 57 N LYS A 689 8.670 7.580 -7.591 1.00 1.00 N ATOM 58 CA LYS A 689 8.494 6.500 -8.553 1.00 1.00 C ATOM 59 C LYS A 689 9.675 5.537 -8.471 1.00 1.00 C ATOM 60 O LYS A 689 10.804 5.951 -8.213 1.00 1.00 O ATOM 61 CB LYS A 689 8.392 7.066 -9.973 1.00 1.00 C ATOM 62 CG LYS A 689 7.147 7.950 -10.093 1.00 1.00 C ATOM 63 CD LYS A 689 7.024 8.465 -11.531 1.00 1.00 C ATOM 64 CE LYS A 689 5.799 9.376 -11.651 1.00 1.00 C ATOM 65 NZ LYS A 689 5.678 9.863 -13.054 1.00 1.00 N ATOM 0 H LYS A 689 9.289 8.329 -7.901 1.00 1.00 H new ATOM 0 HA LYS A 689 7.573 5.967 -8.316 1.00 1.00 H new ATOM 0 HB2 LYS A 689 9.285 7.646 -10.208 1.00 1.00 H new ATOM 0 HB3 LYS A 689 8.342 6.252 -10.696 1.00 1.00 H new ATOM 0 HG2 LYS A 689 6.257 7.382 -9.821 1.00 1.00 H new ATOM 0 HG3 LYS A 689 7.215 8.788 -9.400 1.00 1.00 H new ATOM 0 HD2 LYS A 689 7.925 9.012 -11.810 1.00 1.00 H new ATOM 0 HD3 LYS A 689 6.934 7.626 -12.221 1.00 1.00 H new ATOM 0 HE2 LYS A 689 4.899 8.832 -11.364 1.00 1.00 H new ATOM 0 HE3 LYS A 689 5.892 10.221 -10.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 4.846 10.482 -13.136 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 6.533 10.396 -13.311 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 5.570 9.051 -13.695 1.00 1.00 H new ATOM 79 N GLY A 690 9.410 4.253 -8.686 1.00 1.00 N ATOM 80 CA GLY A 690 10.467 3.252 -8.623 1.00 1.00 C ATOM 81 C GLY A 690 11.038 3.164 -7.212 1.00 1.00 C ATOM 82 O GLY A 690 10.458 3.693 -6.264 1.00 1.00 O ATOM 0 H GLY A 690 8.484 3.884 -8.903 1.00 1.00 H new ATOM 0 HA2 GLY A 690 10.074 2.281 -8.924 1.00 1.00 H new ATOM 0 HA3 GLY A 690 11.259 3.507 -9.327 1.00 1.00 H new ATOM 86 N PRO A 691 12.157 2.510 -7.061 1.00 1.00 N ATOM 87 CA PRO A 691 12.826 2.349 -5.735 1.00 1.00 C ATOM 88 C PRO A 691 13.259 3.694 -5.150 1.00 1.00 C ATOM 89 O PRO A 691 13.660 4.598 -5.884 1.00 1.00 O ATOM 90 CB PRO A 691 14.047 1.465 -6.032 1.00 1.00 C ATOM 91 CG PRO A 691 13.815 0.878 -7.389 1.00 1.00 C ATOM 92 CD PRO A 691 12.909 1.853 -8.135 1.00 1.00 C ATOM 0 HA PRO A 691 12.157 1.912 -4.994 1.00 1.00 H new ATOM 0 HB2 PRO A 691 14.966 2.051 -6.013 1.00 1.00 H new ATOM 0 HB3 PRO A 691 14.153 0.682 -5.281 1.00 1.00 H new ATOM 0 HG2 PRO A 691 14.758 0.742 -7.919 1.00 1.00 H new ATOM 0 HG3 PRO A 691 13.348 -0.104 -7.312 1.00 1.00 H new ATOM 0 HD2 PRO A 691 13.486 2.571 -8.719 1.00 1.00 H new ATOM 0 HD3 PRO A 691 12.248 1.335 -8.830 1.00 1.00 H new ATOM 100 N ASP A 692 13.186 3.819 -3.829 1.00 1.00 N ATOM 101 CA ASP A 692 13.587 5.058 -3.169 1.00 1.00 C ATOM 102 C ASP A 692 15.107 5.164 -3.132 1.00 1.00 C ATOM 103 O ASP A 692 15.809 4.173 -2.928 1.00 1.00 O ATOM 104 CB ASP A 692 13.033 5.101 -1.743 1.00 1.00 C ATOM 105 CG ASP A 692 11.518 5.271 -1.775 1.00 1.00 C ATOM 106 OD1 ASP A 692 10.992 5.505 -2.850 1.00 1.00 O ATOM 107 OD2 ASP A 692 10.906 5.163 -0.726 1.00 1.00 O ATOM 0 H ASP A 692 12.857 3.087 -3.199 1.00 1.00 H new ATOM 0 HA ASP A 692 13.183 5.899 -3.733 1.00 1.00 H new ATOM 0 HB2 ASP A 692 13.293 4.183 -1.216 1.00 1.00 H new ATOM 0 HB3 ASP A 692 13.488 5.925 -1.192 1.00 1.00 H new ATOM 112 N ILE A 693 15.607 6.379 -3.336 1.00 1.00 N ATOM 113 CA ILE A 693 17.044 6.614 -3.329 1.00 1.00 C ATOM 114 C ILE A 693 17.671 5.995 -2.080 1.00 1.00 C ATOM 115 O ILE A 693 18.846 5.624 -2.080 1.00 1.00 O ATOM 116 CB ILE A 693 17.327 8.121 -3.391 1.00 1.00 C ATOM 117 CG1 ILE A 693 16.745 8.824 -2.158 1.00 1.00 C ATOM 118 CG2 ILE A 693 16.673 8.701 -4.648 1.00 1.00 C ATOM 119 CD1 ILE A 693 17.119 10.310 -2.195 1.00 1.00 C ATOM 0 H ILE A 693 15.041 7.210 -3.507 1.00 1.00 H new ATOM 0 HA ILE A 693 17.489 6.142 -4.205 1.00 1.00 H new ATOM 0 HB ILE A 693 18.405 8.279 -3.416 1.00 1.00 H new ATOM 0 HG12 ILE A 693 15.661 8.711 -2.139 1.00 1.00 H new ATOM 0 HG13 ILE A 693 17.129 8.363 -1.248 1.00 1.00 H new ATOM 0 HG21 ILE A 693 16.870 9.772 -4.699 1.00 1.00 H new ATOM 0 HG22 ILE A 693 17.086 8.213 -5.531 1.00 1.00 H new ATOM 0 HG23 ILE A 693 15.597 8.531 -4.610 1.00 1.00 H new ATOM 0 HD11 ILE A 693 16.706 10.811 -1.319 1.00 1.00 H new ATOM 0 HD12 ILE A 693 18.204 10.412 -2.194 1.00 1.00 H new ATOM 0 HD13 ILE A 693 16.713 10.765 -3.098 1.00 1.00 H new ATOM 131 N LEU A 694 16.878 5.892 -1.014 1.00 1.00 N ATOM 132 CA LEU A 694 17.360 5.322 0.242 1.00 1.00 C ATOM 133 C LEU A 694 17.764 3.862 0.055 1.00 1.00 C ATOM 134 O LEU A 694 18.784 3.416 0.578 1.00 1.00 O ATOM 135 CB LEU A 694 16.260 5.407 1.309 1.00 1.00 C ATOM 136 CG LEU A 694 16.013 6.875 1.702 1.00 1.00 C ATOM 137 CD1 LEU A 694 14.820 6.965 2.660 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.254 7.452 2.393 1.00 1.00 C ATOM 0 H LEU A 694 15.904 6.194 -0.995 1.00 1.00 H new ATOM 0 HA LEU A 694 18.232 5.892 0.562 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.339 4.965 0.929 1.00 1.00 H new ATOM 0 HB3 LEU A 694 16.550 4.832 2.188 1.00 1.00 H new ATOM 0 HG LEU A 694 15.802 7.446 0.798 1.00 1.00 H new ATOM 0 HD11 LEU A 694 14.651 8.006 2.934 1.00 1.00 H new ATOM 0 HD12 LEU A 694 13.930 6.569 2.171 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.029 6.383 3.558 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.068 8.491 2.667 1.00 1.00 H new ATOM 0 HD22 LEU A 694 17.472 6.874 3.291 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.105 7.402 1.714 1.00 1.00 H new ATOM 150 N VAL A 695 16.951 3.124 -0.689 1.00 1.00 N ATOM 151 CA VAL A 695 17.210 1.711 -0.944 1.00 1.00 C ATOM 152 C VAL A 695 18.493 1.517 -1.743 1.00 1.00 C ATOM 153 O VAL A 695 19.278 0.609 -1.467 1.00 1.00 O ATOM 154 CB VAL A 695 16.031 1.104 -1.706 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.409 -0.286 -2.222 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.829 0.988 -0.766 1.00 1.00 C ATOM 0 H VAL A 695 16.103 3.481 -1.129 1.00 1.00 H new ATOM 0 HA VAL A 695 17.330 1.208 0.016 1.00 1.00 H new ATOM 0 HB VAL A 695 15.778 1.744 -2.551 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.566 -0.714 -2.764 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.267 -0.205 -2.890 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.664 -0.930 -1.380 1.00 1.00 H new ATOM 0 HG21 VAL A 695 13.986 0.556 -1.305 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.087 0.348 0.077 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.556 1.978 -0.400 1.00 1.00 H new ATOM 166 N VAL A 696 18.696 2.375 -2.733 1.00 1.00 N ATOM 167 CA VAL A 696 19.888 2.283 -3.566 1.00 1.00 C ATOM 168 C VAL A 696 21.148 2.469 -2.728 1.00 1.00 C ATOM 169 O VAL A 696 22.113 1.717 -2.857 1.00 1.00 O ATOM 170 CB VAL A 696 19.843 3.357 -4.652 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.200 3.431 -5.355 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.758 3.004 -5.673 1.00 1.00 C ATOM 0 H VAL A 696 18.060 3.134 -2.978 1.00 1.00 H new ATOM 0 HA VAL A 696 19.911 1.294 -4.023 1.00 1.00 H new ATOM 0 HB VAL A 696 19.617 4.322 -4.199 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.167 4.197 -6.130 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.973 3.682 -4.629 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.428 2.466 -5.808 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.725 3.770 -6.448 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.985 2.039 -6.126 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.791 2.952 -5.173 1.00 1.00 H new ATOM 182 N LEU A 697 21.133 3.493 -1.883 1.00 1.00 N ATOM 183 CA LEU A 697 22.286 3.788 -1.043 1.00 1.00 C ATOM 184 C LEU A 697 22.586 2.638 -0.084 1.00 1.00 C ATOM 185 O LEU A 697 23.746 2.277 0.116 1.00 1.00 O ATOM 186 CB LEU A 697 22.029 5.071 -0.245 1.00 1.00 C ATOM 187 CG LEU A 697 21.996 6.279 -1.191 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.565 7.525 -0.413 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.384 6.518 -1.801 1.00 1.00 C ATOM 0 H LEU A 697 20.343 4.127 -1.762 1.00 1.00 H new ATOM 0 HA LEU A 697 23.151 3.922 -1.692 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.083 4.992 0.291 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.810 5.206 0.504 1.00 1.00 H new ATOM 0 HG LEU A 697 21.286 6.078 -1.993 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.541 8.383 -1.085 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.572 7.366 0.008 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.274 7.714 0.393 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.344 7.378 -2.470 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.103 6.710 -1.005 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.691 5.636 -2.362 1.00 1.00 H new ATOM 201 N LEU A 698 21.543 2.068 0.513 1.00 1.00 N ATOM 202 CA LEU A 698 21.717 0.963 1.454 1.00 1.00 C ATOM 203 C LEU A 698 22.331 -0.255 0.766 1.00 1.00 C ATOM 204 O LEU A 698 23.194 -0.930 1.329 1.00 1.00 O ATOM 205 CB LEU A 698 20.368 0.579 2.068 1.00 1.00 C ATOM 206 CG LEU A 698 19.884 1.696 3.007 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.446 1.410 3.450 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.784 1.777 4.248 1.00 1.00 C ATOM 0 H LEU A 698 20.574 2.350 0.364 1.00 1.00 H new ATOM 0 HA LEU A 698 22.395 1.294 2.240 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.634 0.411 1.280 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.463 -0.356 2.620 1.00 1.00 H new ATOM 0 HG LEU A 698 19.926 2.644 2.471 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.106 2.203 4.115 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.797 1.367 2.575 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.410 0.456 3.975 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.429 2.572 4.904 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.755 0.827 4.781 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.808 1.989 3.941 1.00 1.00 H new ATOM 220 N SER A 699 21.881 -0.521 -0.458 1.00 1.00 N ATOM 221 CA SER A 699 22.381 -1.651 -1.236 1.00 1.00 C ATOM 222 C SER A 699 23.847 -1.454 -1.608 1.00 1.00 C ATOM 223 O SER A 699 24.641 -2.393 -1.563 1.00 1.00 O ATOM 224 CB SER A 699 21.552 -1.808 -2.510 1.00 1.00 C ATOM 225 OG SER A 699 20.172 -1.864 -2.167 1.00 1.00 O ATOM 0 H SER A 699 21.169 0.033 -0.933 1.00 1.00 H new ATOM 0 HA SER A 699 22.295 -2.549 -0.624 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.738 -0.972 -3.184 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.845 -2.715 -3.039 1.00 1.00 H new ATOM 0 HG SER A 699 19.822 -0.954 -2.071 1.00 1.00 H new ATOM 231 N VAL A 700 24.189 -0.230 -1.987 1.00 1.00 N ATOM 232 CA VAL A 700 25.559 0.075 -2.386 1.00 1.00 C ATOM 233 C VAL A 700 26.533 -0.122 -1.225 1.00 1.00 C ATOM 234 O VAL A 700 27.613 -0.687 -1.403 1.00 1.00 O ATOM 235 CB VAL A 700 25.638 1.515 -2.896 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.101 1.905 -3.112 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.884 1.623 -4.224 1.00 1.00 C ATOM 0 H VAL A 700 23.546 0.561 -2.027 1.00 1.00 H new ATOM 0 HA VAL A 700 25.844 -0.612 -3.183 1.00 1.00 H new ATOM 0 HB VAL A 700 25.190 2.184 -2.162 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.154 2.931 -3.475 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.642 1.825 -2.169 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.551 1.237 -3.846 1.00 1.00 H new ATOM 0 HG21 VAL A 700 24.938 2.648 -4.591 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.336 0.952 -4.955 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.841 1.346 -4.074 1.00 1.00 H new ATOM 247 N MET A 701 26.163 0.376 -0.047 1.00 1.00 N ATOM 248 CA MET A 701 27.034 0.277 1.122 1.00 1.00 C ATOM 249 C MET A 701 27.288 -1.173 1.520 1.00 1.00 C ATOM 250 O MET A 701 28.415 -1.536 1.859 1.00 1.00 O ATOM 251 CB MET A 701 26.416 1.032 2.301 1.00 1.00 C ATOM 252 CG MET A 701 26.607 2.536 2.093 1.00 1.00 C ATOM 253 SD MET A 701 25.764 3.453 3.412 1.00 1.00 S ATOM 254 CE MET A 701 26.861 3.006 4.784 1.00 1.00 C ATOM 0 H MET A 701 25.275 0.848 0.123 1.00 1.00 H new ATOM 0 HA MET A 701 27.992 0.725 0.856 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.355 0.796 2.383 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.885 0.720 3.234 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.669 2.780 2.090 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.210 2.831 1.122 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.768 3.745 5.580 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.583 2.024 5.167 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.892 2.980 4.432 1.00 1.00 H new ATOM 264 N GLY A 702 26.252 -2.003 1.480 1.00 1.00 N ATOM 265 CA GLY A 702 26.417 -3.402 1.847 1.00 1.00 C ATOM 266 C GLY A 702 27.329 -4.108 0.855 1.00 1.00 C ATOM 267 O GLY A 702 28.196 -4.893 1.240 1.00 1.00 O ATOM 0 H GLY A 702 25.307 -1.738 1.203 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.836 -3.474 2.851 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.445 -3.895 1.871 1.00 1.00 H new ATOM 271 N ALA A 703 27.111 -3.832 -0.425 1.00 1.00 N ATOM 272 CA ALA A 703 27.895 -4.452 -1.482 1.00 1.00 C ATOM 273 C ALA A 703 29.392 -4.207 -1.296 1.00 1.00 C ATOM 274 O ALA A 703 30.197 -5.135 -1.356 1.00 1.00 O ATOM 275 CB ALA A 703 27.449 -3.897 -2.836 1.00 1.00 C ATOM 0 H ALA A 703 26.397 -3.182 -0.755 1.00 1.00 H new ATOM 0 HA ALA A 703 27.726 -5.528 -1.440 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.035 -4.360 -3.630 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.393 -4.117 -2.989 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.601 -2.818 -2.855 1.00 1.00 H new ATOM 281 N ILE A 704 29.750 -2.946 -1.063 1.00 1.00 N ATOM 282 CA ILE A 704 31.154 -2.591 -0.864 1.00 1.00 C ATOM 283 C ILE A 704 31.712 -3.244 0.400 1.00 1.00 C ATOM 284 O ILE A 704 32.835 -3.747 0.405 1.00 1.00 O ATOM 285 CB ILE A 704 31.316 -1.073 -0.757 1.00 1.00 C ATOM 286 CG1 ILE A 704 31.012 -0.430 -2.111 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.754 -0.739 -0.350 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.900 1.087 -1.944 1.00 1.00 C ATOM 0 H ILE A 704 29.099 -2.163 -1.008 1.00 1.00 H new ATOM 0 HA ILE A 704 31.710 -2.956 -1.728 1.00 1.00 H new ATOM 0 HB ILE A 704 30.625 -0.688 -0.007 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.800 -0.670 -2.825 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.083 -0.831 -2.515 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.869 0.342 -0.274 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.975 -1.196 0.615 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.444 -1.125 -1.101 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.683 1.544 -2.909 1.00 1.00 H new ATOM 0 HD12 ILE A 704 30.096 1.318 -1.245 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.840 1.481 -1.559 1.00 1.00 H new ATOM 300 N LEU A 705 30.931 -3.211 1.475 1.00 1.00 N ATOM 301 CA LEU A 705 31.367 -3.776 2.749 1.00 1.00 C ATOM 302 C LEU A 705 31.590 -5.283 2.652 1.00 1.00 C ATOM 303 O LEU A 705 32.582 -5.800 3.165 1.00 1.00 O ATOM 304 CB LEU A 705 30.315 -3.482 3.828 1.00 1.00 C ATOM 305 CG LEU A 705 30.772 -4.027 5.191 1.00 1.00 C ATOM 306 CD1 LEU A 705 32.101 -3.382 5.591 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.715 -3.693 6.247 1.00 1.00 C ATOM 0 H LEU A 705 29.997 -2.801 1.491 1.00 1.00 H new ATOM 0 HA LEU A 705 32.317 -3.312 3.014 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.148 -2.407 3.897 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.364 -3.935 3.549 1.00 1.00 H new ATOM 0 HG LEU A 705 30.902 -5.107 5.121 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.419 -3.773 6.558 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.857 -3.612 4.840 1.00 1.00 H new ATOM 0 HD13 LEU A 705 31.975 -2.302 5.660 1.00 1.00 H new ATOM 0 HD21 LEU A 705 30.034 -4.077 7.216 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.591 -2.612 6.309 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.766 -4.152 5.970 1.00 1.00 H new ATOM 319 N LEU A 706 30.667 -5.991 2.012 1.00 1.00 N ATOM 320 CA LEU A 706 30.788 -7.439 1.885 1.00 1.00 C ATOM 321 C LEU A 706 32.008 -7.840 1.065 1.00 1.00 C ATOM 322 O LEU A 706 32.728 -8.776 1.415 1.00 1.00 O ATOM 323 CB LEU A 706 29.522 -8.017 1.251 1.00 1.00 C ATOM 324 CG LEU A 706 28.359 -7.920 2.247 1.00 1.00 C ATOM 325 CD1 LEU A 706 27.052 -8.259 1.533 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.565 -8.899 3.415 1.00 1.00 C ATOM 0 H LEU A 706 29.835 -5.592 1.577 1.00 1.00 H new ATOM 0 HA LEU A 706 30.916 -7.846 2.888 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.279 -7.473 0.338 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.687 -9.057 0.968 1.00 1.00 H new ATOM 0 HG LEU A 706 28.319 -6.904 2.641 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.224 -8.191 2.238 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.891 -7.556 0.715 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.107 -9.272 1.135 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.730 -8.816 4.111 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.617 -9.918 3.031 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.494 -8.658 3.932 1.00 1.00 H new ATOM 338 N ILE A 707 32.244 -7.107 -0.020 1.00 1.00 N ATOM 339 CA ILE A 707 33.398 -7.383 -0.868 1.00 1.00 C ATOM 340 C ILE A 707 34.671 -7.172 -0.061 1.00 1.00 C ATOM 341 O ILE A 707 35.611 -7.965 -0.131 1.00 1.00 O ATOM 342 CB ILE A 707 33.404 -6.466 -2.090 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.232 -6.831 -3.003 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.719 -6.646 -2.852 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.069 -5.759 -4.083 1.00 1.00 C ATOM 0 H ILE A 707 31.661 -6.329 -0.329 1.00 1.00 H new ATOM 0 HA ILE A 707 33.343 -8.415 -1.215 1.00 1.00 H new ATOM 0 HB ILE A 707 33.307 -5.428 -1.770 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.407 -7.803 -3.465 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.316 -6.915 -2.419 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.726 -5.993 -3.725 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.555 -6.391 -2.201 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.814 -7.683 -3.174 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.234 -6.021 -4.732 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.875 -4.795 -3.613 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.982 -5.696 -4.674 1.00 1.00 H new ATOM 357 N GLY A 708 34.683 -6.095 0.717 1.00 1.00 N ATOM 358 CA GLY A 708 35.833 -5.785 1.552 1.00 1.00 C ATOM 359 C GLY A 708 36.131 -6.953 2.484 1.00 1.00 C ATOM 360 O GLY A 708 37.289 -7.325 2.677 1.00 1.00 O ATOM 0 H GLY A 708 33.915 -5.428 0.785 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.701 -5.577 0.927 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.637 -4.885 2.135 1.00 1.00 H new ATOM 364 N LEU A 709 35.078 -7.538 3.052 1.00 1.00 N ATOM 365 CA LEU A 709 35.256 -8.673 3.949 1.00 1.00 C ATOM 366 C LEU A 709 35.860 -9.849 3.192 1.00 1.00 C ATOM 367 O LEU A 709 36.786 -10.498 3.678 1.00 1.00 O ATOM 368 CB LEU A 709 33.914 -9.095 4.557 1.00 1.00 C ATOM 369 CG LEU A 709 33.404 -8.011 5.514 1.00 1.00 C ATOM 370 CD1 LEU A 709 32.009 -8.393 6.014 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.348 -7.867 6.714 1.00 1.00 C ATOM 0 H LEU A 709 34.110 -7.250 2.910 1.00 1.00 H new ATOM 0 HA LEU A 709 35.930 -8.372 4.751 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.184 -9.264 3.765 1.00 1.00 H new ATOM 0 HB3 LEU A 709 34.029 -10.038 5.091 1.00 1.00 H new ATOM 0 HG LEU A 709 33.364 -7.062 4.980 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.643 -7.624 6.695 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.330 -8.480 5.166 1.00 1.00 H new ATOM 0 HD13 LEU A 709 32.059 -9.348 6.538 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.971 -7.093 7.383 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.403 -8.815 7.250 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.342 -7.590 6.364 1.00 1.00 H new ATOM 383 N ALA A 710 35.341 -10.113 1.996 1.00 1.00 N ATOM 384 CA ALA A 710 35.855 -11.209 1.185 1.00 1.00 C ATOM 385 C ALA A 710 37.313 -10.943 0.838 1.00 1.00 C ATOM 386 O ALA A 710 38.137 -11.857 0.840 1.00 1.00 O ATOM 387 CB ALA A 710 35.033 -11.349 -0.101 1.00 1.00 C ATOM 0 H ALA A 710 34.575 -9.590 1.572 1.00 1.00 H new ATOM 0 HA ALA A 710 35.779 -12.137 1.752 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.428 -12.171 -0.697 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.992 -11.552 0.153 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.093 -10.424 -0.674 1.00 1.00 H new ATOM 393 N ALA A 711 37.625 -9.682 0.557 1.00 1.00 N ATOM 394 CA ALA A 711 38.994 -9.314 0.227 1.00 1.00 C ATOM 395 C ALA A 711 39.910 -9.589 1.416 1.00 1.00 C ATOM 396 O ALA A 711 40.990 -10.161 1.266 1.00 1.00 O ATOM 397 CB ALA A 711 39.059 -7.832 -0.142 1.00 1.00 C ATOM 0 H ALA A 711 36.959 -8.910 0.551 1.00 1.00 H new ATOM 0 HA ALA A 711 39.325 -9.910 -0.623 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.086 -7.563 -0.388 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.418 -7.643 -1.003 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.719 -7.232 0.702 1.00 1.00 H new ATOM 403 N LEU A 712 39.478 -9.164 2.599 1.00 1.00 N ATOM 404 CA LEU A 712 40.262 -9.352 3.814 1.00 1.00 C ATOM 405 C LEU A 712 40.440 -10.831 4.156 1.00 1.00 C ATOM 406 O LEU A 712 41.503 -11.247 4.611 1.00 1.00 O ATOM 407 CB LEU A 712 39.585 -8.646 4.992 1.00 1.00 C ATOM 408 CG LEU A 712 39.680 -7.123 4.827 1.00 1.00 C ATOM 409 CD1 LEU A 712 38.834 -6.447 5.906 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.138 -6.659 4.966 1.00 1.00 C ATOM 0 H LEU A 712 38.588 -8.687 2.742 1.00 1.00 H new ATOM 0 HA LEU A 712 41.247 -8.921 3.632 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.539 -8.947 5.053 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.059 -8.948 5.926 1.00 1.00 H new ATOM 0 HG LEU A 712 39.314 -6.851 3.837 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.898 -5.365 5.794 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.795 -6.762 5.804 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.205 -6.732 6.891 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.188 -5.577 4.846 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.515 -6.933 5.951 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.747 -7.137 4.199 1.00 1.00 H new ATOM 422 N LEU A 713 39.374 -11.611 3.982 1.00 1.00 N ATOM 423 CA LEU A 713 39.408 -13.028 4.326 1.00 1.00 C ATOM 424 C LEU A 713 40.417 -13.829 3.505 1.00 1.00 C ATOM 425 O LEU A 713 41.148 -14.650 4.052 1.00 1.00 O ATOM 426 CB LEU A 713 38.015 -13.639 4.149 1.00 1.00 C ATOM 427 CG LEU A 713 37.141 -13.298 5.364 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.685 -13.651 5.058 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.602 -14.091 6.596 1.00 1.00 C ATOM 0 H LEU A 713 38.483 -11.287 3.607 1.00 1.00 H new ATOM 0 HA LEU A 713 39.727 -13.084 5.367 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.553 -13.257 3.238 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.093 -14.720 4.038 1.00 1.00 H new ATOM 0 HG LEU A 713 37.232 -12.232 5.572 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.063 -13.409 5.920 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.346 -13.079 4.194 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.607 -14.716 4.841 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.972 -13.837 7.449 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.524 -15.159 6.392 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.638 -13.840 6.823 1.00 1.00 H new ATOM 441 N ILE A 714 40.474 -13.587 2.199 1.00 1.00 N ATOM 442 CA ILE A 714 41.425 -14.311 1.362 1.00 1.00 C ATOM 443 C ILE A 714 42.851 -13.908 1.738 1.00 1.00 C ATOM 444 O ILE A 714 43.764 -14.733 1.736 1.00 1.00 O ATOM 445 CB ILE A 714 41.148 -14.057 -0.128 1.00 1.00 C ATOM 446 CG1 ILE A 714 41.252 -12.563 -0.453 1.00 1.00 C ATOM 447 CG2 ILE A 714 39.733 -14.540 -0.458 1.00 1.00 C ATOM 448 CD1 ILE A 714 41.190 -12.365 -1.970 1.00 1.00 C ATOM 0 H ILE A 714 39.889 -12.912 1.706 1.00 1.00 H new ATOM 0 HA ILE A 714 41.308 -15.381 1.536 1.00 1.00 H new ATOM 0 HB ILE A 714 41.887 -14.597 -0.720 1.00 1.00 H new ATOM 0 HG12 ILE A 714 40.441 -12.018 0.029 1.00 1.00 H new ATOM 0 HG13 ILE A 714 42.185 -12.159 -0.061 1.00 1.00 H new ATOM 0 HG21 ILE A 714 39.526 -14.364 -1.514 1.00 1.00 H new ATOM 0 HG22 ILE A 714 39.653 -15.606 -0.245 1.00 1.00 H new ATOM 0 HG23 ILE A 714 39.011 -13.994 0.149 1.00 1.00 H new ATOM 0 HD11 ILE A 714 41.264 -11.302 -2.202 1.00 1.00 H new ATOM 0 HD12 ILE A 714 42.017 -12.897 -2.440 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.245 -12.754 -2.349 1.00 1.00 H new ATOM 460 N TRP A 715 43.020 -12.636 2.073 1.00 1.00 N ATOM 461 CA TRP A 715 44.347 -12.169 2.465 1.00 1.00 C ATOM 462 C TRP A 715 44.846 -13.016 3.642 1.00 1.00 C ATOM 463 O TRP A 715 45.974 -13.513 3.644 1.00 1.00 O ATOM 464 CB TRP A 715 44.262 -10.691 2.879 1.00 1.00 C ATOM 465 CG TRP A 715 45.600 -10.157 3.317 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.803 -10.764 3.146 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.875 -8.910 4.023 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.790 -9.962 3.691 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.267 -8.812 4.245 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.056 -7.863 4.484 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.829 -7.718 4.902 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.618 -6.758 5.145 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.002 -6.687 5.355 1.00 1.00 C ATOM 0 H TRP A 715 42.285 -11.929 2.083 1.00 1.00 H new ATOM 0 HA TRP A 715 45.041 -12.266 1.630 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.890 -10.100 2.042 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.543 -10.581 3.691 1.00 1.00 H new ATOM 0 HD1 TRP A 715 46.963 -11.717 2.663 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.783 -10.193 3.684 1.00 1.00 H new ATOM 0 HE3 TRP A 715 43.988 -7.909 4.329 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.896 -7.668 5.060 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 44.980 -5.959 5.493 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.429 -5.837 5.866 1.00 1.00 H new ATOM 484 N LYS A 716 43.990 -13.170 4.646 1.00 1.00 N ATOM 485 CA LYS A 716 44.332 -13.942 5.840 1.00 1.00 C ATOM 486 C LYS A 716 44.640 -15.400 5.483 1.00 1.00 C ATOM 487 O LYS A 716 45.539 -16.011 6.055 1.00 1.00 O ATOM 488 CB LYS A 716 43.151 -13.904 6.823 1.00 1.00 C ATOM 489 CG LYS A 716 43.492 -14.522 8.198 1.00 1.00 C ATOM 490 CD LYS A 716 44.221 -13.548 9.167 1.00 1.00 C ATOM 491 CE LYS A 716 45.663 -13.229 8.768 1.00 1.00 C ATOM 492 NZ LYS A 716 46.361 -12.621 9.937 1.00 1.00 N ATOM 0 H LYS A 716 43.052 -12.770 4.659 1.00 1.00 H new ATOM 0 HA LYS A 716 45.219 -13.500 6.294 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.835 -12.870 6.963 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.306 -14.439 6.389 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.571 -14.865 8.669 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.118 -15.401 8.044 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.656 -12.617 9.221 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.220 -13.980 10.168 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.177 -14.137 8.452 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.677 -12.543 7.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.344 -12.399 9.678 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 45.872 -11.747 10.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.355 -13.292 10.732 1.00 1.00 H new ATOM 506 N LEU A 717 43.889 -15.947 4.539 1.00 1.00 N ATOM 507 CA LEU A 717 44.102 -17.333 4.119 1.00 1.00 C ATOM 508 C LEU A 717 45.499 -17.471 3.513 1.00 1.00 C ATOM 509 O LEU A 717 46.163 -18.491 3.707 1.00 1.00 O ATOM 510 CB LEU A 717 43.042 -17.767 3.098 1.00 1.00 C ATOM 511 CG LEU A 717 41.794 -18.378 3.780 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.039 -19.864 4.053 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.458 -17.676 5.106 1.00 1.00 C ATOM 0 H LEU A 717 43.135 -15.464 4.052 1.00 1.00 H new ATOM 0 HA LEU A 717 44.015 -17.980 4.992 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.743 -16.907 2.499 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.475 -18.497 2.414 1.00 1.00 H new ATOM 0 HG LEU A 717 40.950 -18.243 3.103 1.00 1.00 H new ATOM 0 HD11 LEU A 717 41.161 -20.295 4.533 1.00 1.00 H new ATOM 0 HD12 LEU A 717 42.228 -20.380 3.112 1.00 1.00 H new ATOM 0 HD13 LEU A 717 42.903 -19.976 4.708 1.00 1.00 H new ATOM 0 HD21 LEU A 717 40.576 -18.138 5.549 1.00 1.00 H new ATOM 0 HD22 LEU A 717 42.300 -17.771 5.792 1.00 1.00 H new ATOM 0 HD23 LEU A 717 41.260 -16.621 4.919 1.00 1.00 H new ATOM 525 N LEU A 718 45.936 -16.471 2.755 1.00 1.00 N ATOM 526 CA LEU A 718 47.244 -16.539 2.104 1.00 1.00 C ATOM 527 C LEU A 718 48.381 -16.676 3.112 1.00 1.00 C ATOM 528 O LEU A 718 49.306 -17.463 2.912 1.00 1.00 O ATOM 529 CB LEU A 718 47.474 -15.270 1.277 1.00 1.00 C ATOM 530 CG LEU A 718 46.736 -15.377 -0.061 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.616 -13.983 -0.677 1.00 1.00 C ATOM 532 CD2 LEU A 718 47.507 -16.291 -1.026 1.00 1.00 C ATOM 0 H LEU A 718 45.413 -15.613 2.576 1.00 1.00 H new ATOM 0 HA LEU A 718 47.243 -17.423 1.467 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.121 -14.398 1.828 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.541 -15.127 1.103 1.00 1.00 H new ATOM 0 HG LEU A 718 45.746 -15.800 0.111 1.00 1.00 H new ATOM 0 HD11 LEU A 718 46.092 -14.050 -1.630 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.059 -13.333 -0.002 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.612 -13.570 -0.839 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.970 -16.357 -1.972 1.00 1.00 H new ATOM 0 HD22 LEU A 718 48.501 -15.879 -1.201 1.00 1.00 H new ATOM 0 HD23 LEU A 718 47.598 -17.286 -0.590 1.00 1.00 H new ATOM 544 N ILE A 719 48.331 -15.872 4.167 1.00 1.00 N ATOM 545 CA ILE A 719 49.396 -15.884 5.166 1.00 1.00 C ATOM 546 C ILE A 719 49.178 -16.927 6.264 1.00 1.00 C ATOM 547 O ILE A 719 50.142 -17.519 6.751 1.00 1.00 O ATOM 548 CB ILE A 719 49.527 -14.486 5.780 1.00 1.00 C ATOM 549 CG1 ILE A 719 50.776 -14.420 6.661 1.00 1.00 C ATOM 550 CG2 ILE A 719 48.296 -14.175 6.628 1.00 1.00 C ATOM 551 CD1 ILE A 719 51.072 -12.961 7.008 1.00 1.00 C ATOM 0 H ILE A 719 47.576 -15.212 4.353 1.00 1.00 H new ATOM 0 HA ILE A 719 50.318 -16.164 4.657 1.00 1.00 H new ATOM 0 HB ILE A 719 49.610 -13.754 4.976 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.624 -14.999 7.572 1.00 1.00 H new ATOM 0 HG13 ILE A 719 51.626 -14.862 6.141 1.00 1.00 H new ATOM 0 HG21 ILE A 719 48.395 -13.180 7.062 1.00 1.00 H new ATOM 0 HG22 ILE A 719 47.404 -14.211 6.002 1.00 1.00 H new ATOM 0 HG23 ILE A 719 48.209 -14.912 7.426 1.00 1.00 H new ATOM 0 HD11 ILE A 719 51.962 -12.910 7.636 1.00 1.00 H new ATOM 0 HD12 ILE A 719 51.242 -12.396 6.091 1.00 1.00 H new ATOM 0 HD13 ILE A 719 50.224 -12.535 7.545 1.00 1.00 H new ATOM 563 N THR A 720 47.934 -17.171 6.659 1.00 1.00 N ATOM 564 CA THR A 720 47.676 -18.167 7.696 1.00 1.00 C ATOM 565 C THR A 720 48.084 -19.564 7.223 1.00 1.00 C ATOM 566 O THR A 720 48.715 -20.317 7.966 1.00 1.00 O ATOM 567 CB THR A 720 46.194 -18.174 8.072 1.00 1.00 C ATOM 568 OG1 THR A 720 45.841 -16.912 8.623 1.00 1.00 O ATOM 569 CG2 THR A 720 45.932 -19.276 9.103 1.00 1.00 C ATOM 0 H THR A 720 47.105 -16.706 6.289 1.00 1.00 H new ATOM 0 HA THR A 720 48.271 -17.901 8.570 1.00 1.00 H new ATOM 0 HB THR A 720 45.593 -18.363 7.182 1.00 1.00 H new ATOM 0 HG1 THR A 720 45.790 -16.245 7.907 1.00 1.00 H new ATOM 0 HG21 THR A 720 44.875 -19.280 9.370 1.00 1.00 H new ATOM 0 HG22 THR A 720 46.203 -20.243 8.679 1.00 1.00 H new ATOM 0 HG23 THR A 720 46.531 -19.090 9.994 1.00 1.00 H new ATOM 577 N ILE A 721 47.720 -19.912 5.990 1.00 1.00 N ATOM 578 CA ILE A 721 48.065 -21.231 5.457 1.00 1.00 C ATOM 579 C ILE A 721 49.583 -21.383 5.326 1.00 1.00 C ATOM 580 O ILE A 721 50.151 -22.404 5.714 1.00 1.00 O ATOM 581 CB ILE A 721 47.406 -21.443 4.091 1.00 1.00 C ATOM 582 CG1 ILE A 721 45.886 -21.524 4.262 1.00 1.00 C ATOM 583 CG2 ILE A 721 47.908 -22.752 3.476 1.00 1.00 C ATOM 584 CD1 ILE A 721 45.211 -21.453 2.889 1.00 1.00 C ATOM 0 H ILE A 721 47.197 -19.313 5.351 1.00 1.00 H new ATOM 0 HA ILE A 721 47.696 -21.984 6.153 1.00 1.00 H new ATOM 0 HB ILE A 721 47.660 -20.608 3.438 1.00 1.00 H new ATOM 0 HG12 ILE A 721 45.615 -22.453 4.764 1.00 1.00 H new ATOM 0 HG13 ILE A 721 45.537 -20.707 4.893 1.00 1.00 H new ATOM 0 HG21 ILE A 721 47.438 -22.901 2.504 1.00 1.00 H new ATOM 0 HG22 ILE A 721 48.990 -22.705 3.352 1.00 1.00 H new ATOM 0 HG23 ILE A 721 47.654 -23.584 4.133 1.00 1.00 H new ATOM 0 HD11 ILE A 721 44.129 -21.511 3.012 1.00 1.00 H new ATOM 0 HD12 ILE A 721 45.471 -20.512 2.404 1.00 1.00 H new ATOM 0 HD13 ILE A 721 45.551 -22.285 2.273 1.00 1.00 H new ATOM 596 N HIS A 722 50.231 -20.353 4.783 1.00 1.00 N ATOM 597 CA HIS A 722 51.685 -20.372 4.610 1.00 1.00 C ATOM 598 C HIS A 722 52.294 -19.070 5.122 1.00 1.00 C ATOM 599 O HIS A 722 51.680 -18.006 5.043 1.00 1.00 O ATOM 600 CB HIS A 722 52.044 -20.557 3.133 1.00 1.00 C ATOM 601 CG HIS A 722 51.528 -21.886 2.649 1.00 1.00 C ATOM 602 ND1 HIS A 722 51.625 -23.040 3.409 1.00 1.00 N ATOM 603 CD2 HIS A 722 50.915 -22.260 1.477 1.00 1.00 C ATOM 604 CE1 HIS A 722 51.084 -24.045 2.695 1.00 1.00 C ATOM 605 NE2 HIS A 722 50.637 -23.624 1.509 1.00 1.00 N ATOM 0 H HIS A 722 49.777 -19.500 4.457 1.00 1.00 H new ATOM 0 HA HIS A 722 52.088 -21.207 5.183 1.00 1.00 H new ATOM 0 HB2 HIS A 722 51.613 -19.751 2.540 1.00 1.00 H new ATOM 0 HB3 HIS A 722 53.125 -20.506 3.002 1.00 1.00 H new ATOM 0 HD2 HIS A 722 50.684 -21.597 0.656 1.00 1.00 H new ATOM 0 HE1 HIS A 722 51.019 -25.067 3.039 1.00 1.00 H new ATOM 0 HE2 HIS A 722 50.188 -24.182 0.783 1.00 1.00 H new ATOM 613 N ASP A 723 53.511 -19.173 5.658 1.00 1.00 N ATOM 614 CA ASP A 723 54.210 -18.012 6.200 1.00 1.00 C ATOM 615 C ASP A 723 54.755 -17.134 5.077 1.00 1.00 C ATOM 616 O ASP A 723 55.626 -17.551 4.312 1.00 1.00 O ATOM 617 CB ASP A 723 55.367 -18.481 7.087 1.00 1.00 C ATOM 618 CG ASP A 723 55.933 -17.308 7.881 1.00 1.00 C ATOM 619 OD1 ASP A 723 55.528 -16.189 7.618 1.00 1.00 O ATOM 620 OD2 ASP A 723 56.765 -17.549 8.741 1.00 1.00 O ATOM 0 H ASP A 723 54.031 -20.048 5.727 1.00 1.00 H new ATOM 0 HA ASP A 723 53.504 -17.426 6.788 1.00 1.00 H new ATOM 0 HB2 ASP A 723 55.020 -19.257 7.769 1.00 1.00 H new ATOM 0 HB3 ASP A 723 56.150 -18.924 6.471 1.00 1.00 H new ATOM 625 N ARG A 724 54.231 -15.916 4.986 1.00 1.00 N ATOM 626 CA ARG A 724 54.662 -14.979 3.954 1.00 1.00 C ATOM 627 C ARG A 724 56.094 -14.522 4.210 1.00 1.00 C ATOM 628 O ARG A 724 56.448 -14.164 5.334 1.00 1.00 O ATOM 629 CB ARG A 724 53.725 -13.770 3.941 1.00 1.00 C ATOM 630 CG ARG A 724 54.103 -12.827 2.797 1.00 1.00 C ATOM 631 CD ARG A 724 53.122 -11.654 2.775 1.00 1.00 C ATOM 632 NE ARG A 724 53.321 -10.844 1.577 1.00 1.00 N ATOM 633 CZ ARG A 724 52.824 -9.614 1.492 1.00 1.00 C ATOM 634 NH1 ARG A 724 52.178 -9.104 2.505 1.00 1.00 N ATOM 635 NH2 ARG A 724 52.983 -8.918 0.400 1.00 1.00 N ATOM 0 H ARG A 724 53.510 -15.555 5.611 1.00 1.00 H new ATOM 0 HA ARG A 724 54.627 -15.479 2.986 1.00 1.00 H new ATOM 0 HB2 ARG A 724 52.693 -14.101 3.825 1.00 1.00 H new ATOM 0 HB3 ARG A 724 53.785 -13.243 4.893 1.00 1.00 H new ATOM 0 HG2 ARG A 724 55.122 -12.463 2.930 1.00 1.00 H new ATOM 0 HG3 ARG A 724 54.076 -13.359 1.846 1.00 1.00 H new ATOM 0 HD2 ARG A 724 52.098 -12.028 2.803 1.00 1.00 H new ATOM 0 HD3 ARG A 724 53.261 -11.039 3.664 1.00 1.00 H new ATOM 0 HE ARG A 724 53.849 -11.228 0.793 1.00 1.00 H new ATOM 0 HH11 ARG A 724 52.056 -9.649 3.359 1.00 1.00 H new ATOM 0 HH12 ARG A 724 51.795 -8.161 2.443 1.00 1.00 H new ATOM 0 HH21 ARG A 724 53.489 -9.318 -0.390 1.00 1.00 H new ATOM 0 HH22 ARG A 724 52.601 -7.974 0.336 1.00 1.00 H new ATOM 649 N LYS A 725 56.911 -14.540 3.159 1.00 1.00 N ATOM 650 CA LYS A 725 58.306 -14.129 3.273 1.00 1.00 C ATOM 651 C LYS A 725 58.557 -12.840 2.498 1.00 1.00 C ATOM 652 O LYS A 725 57.962 -12.612 1.446 1.00 1.00 O ATOM 653 CB LYS A 725 59.222 -15.225 2.725 1.00 1.00 C ATOM 654 CG LYS A 725 59.155 -16.458 3.626 1.00 1.00 C ATOM 655 CD LYS A 725 60.067 -17.544 3.053 1.00 1.00 C ATOM 656 CE LYS A 725 60.031 -18.779 3.951 1.00 1.00 C ATOM 657 NZ LYS A 725 60.911 -19.832 3.372 1.00 1.00 N ATOM 0 H LYS A 725 56.631 -14.834 2.223 1.00 1.00 H new ATOM 0 HA LYS A 725 58.521 -13.958 4.328 1.00 1.00 H new ATOM 0 HB2 LYS A 725 58.922 -15.488 1.711 1.00 1.00 H new ATOM 0 HB3 LYS A 725 60.247 -14.860 2.669 1.00 1.00 H new ATOM 0 HG2 LYS A 725 59.466 -16.201 4.639 1.00 1.00 H new ATOM 0 HG3 LYS A 725 58.130 -16.822 3.690 1.00 1.00 H new ATOM 0 HD2 LYS A 725 59.746 -17.807 2.045 1.00 1.00 H new ATOM 0 HD3 LYS A 725 61.088 -17.170 2.975 1.00 1.00 H new ATOM 0 HE2 LYS A 725 60.365 -18.522 4.956 1.00 1.00 H new ATOM 0 HE3 LYS A 725 59.010 -19.150 4.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 60.890 -20.675 3.980 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 60.573 -20.083 2.421 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 61.886 -19.474 3.310 1.00 1.00 H new ATOM 671 N GLU A 726 59.448 -12.008 3.023 1.00 1.00 N ATOM 672 CA GLU A 726 59.782 -10.746 2.370 1.00 1.00 C ATOM 673 C GLU A 726 58.531 -10.080 1.807 1.00 1.00 C ATOM 674 O GLU A 726 57.616 -9.718 2.548 1.00 1.00 O ATOM 675 CB GLU A 726 60.775 -10.995 1.234 1.00 1.00 C ATOM 676 CG GLU A 726 62.118 -11.440 1.814 1.00 1.00 C ATOM 677 CD GLU A 726 63.087 -11.768 0.683 1.00 1.00 C ATOM 678 OE1 GLU A 726 62.692 -11.634 -0.465 1.00 1.00 O ATOM 679 OE2 GLU A 726 64.208 -12.147 0.978 1.00 1.00 O ATOM 0 H GLU A 726 59.950 -12.182 3.894 1.00 1.00 H new ATOM 0 HA GLU A 726 60.229 -10.086 3.113 1.00 1.00 H new ATOM 0 HB2 GLU A 726 60.388 -11.759 0.560 1.00 1.00 H new ATOM 0 HB3 GLU A 726 60.905 -10.087 0.645 1.00 1.00 H new ATOM 0 HG2 GLU A 726 62.532 -10.652 2.442 1.00 1.00 H new ATOM 0 HG3 GLU A 726 61.978 -12.314 2.450 1.00 1.00 H new ATOM 686 N PHE A 727 58.505 -9.919 0.489 1.00 1.00 N ATOM 687 CA PHE A 727 57.369 -9.293 -0.176 1.00 1.00 C ATOM 688 C PHE A 727 57.027 -10.036 -1.463 1.00 1.00 C ATOM 689 O PHE A 727 56.254 -9.505 -2.244 1.00 1.00 O ATOM 690 CB PHE A 727 57.699 -7.834 -0.497 1.00 1.00 C ATOM 691 CG PHE A 727 58.826 -7.782 -1.501 1.00 1.00 C ATOM 692 CD1 PHE A 727 60.155 -7.769 -1.064 1.00 1.00 C ATOM 693 CD2 PHE A 727 58.541 -7.741 -2.871 1.00 1.00 C ATOM 694 CE1 PHE A 727 61.199 -7.718 -1.996 1.00 1.00 C ATOM 695 CE2 PHE A 727 59.584 -7.691 -3.803 1.00 1.00 C ATOM 696 CZ PHE A 727 60.913 -7.678 -3.367 1.00 1.00 C ATOM 697 OXT PHE A 727 57.544 -11.126 -1.650 1.00 1.00 O ATOM 0 H PHE A 727 59.254 -10.212 -0.138 1.00 1.00 H new ATOM 0 HA PHE A 727 56.508 -9.334 0.491 1.00 1.00 H new ATOM 0 HB2 PHE A 727 56.819 -7.330 -0.896 1.00 1.00 H new ATOM 0 HB3 PHE A 727 57.984 -7.306 0.413 1.00 1.00 H new ATOM 0 HD1 PHE A 727 60.376 -7.798 -0.007 1.00 1.00 H new ATOM 0 HD2 PHE A 727 57.515 -7.748 -3.209 1.00 1.00 H new ATOM 0 HE1 PHE A 727 62.225 -7.710 -1.658 1.00 1.00 H new ATOM 0 HE2 PHE A 727 59.362 -7.662 -4.860 1.00 1.00 H new ATOM 0 HZ PHE A 727 61.718 -7.637 -4.086 1.00 1.00 H new TER 707 PHE A 727