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 75:sc= 1.18 USER MOD Single : A 701 MET CE :methyl 158:sc= -0.103 (180deg=-0.77) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 64:sc= 0.238 USER MOD Single : A 722 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.013) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 14.418 -0.914 -20.013 1.00 1.00 N ATOM 2 CA PRO A 685 14.368 0.563 -20.150 1.00 1.00 C ATOM 3 C PRO A 685 12.926 1.021 -20.362 1.00 1.00 C ATOM 4 O PRO A 685 12.679 2.008 -21.055 1.00 1.00 O ATOM 5 CB PRO A 685 15.227 0.961 -21.349 1.00 1.00 C ATOM 6 CG PRO A 685 15.929 -0.293 -21.759 1.00 1.00 C ATOM 7 CD PRO A 685 15.121 -1.475 -21.198 1.00 1.00 C ATOM 0 HA PRO A 685 14.747 1.037 -19.244 1.00 1.00 H new ATOM 0 HB2 PRO A 685 14.614 1.353 -22.161 1.00 1.00 H new ATOM 0 HB3 PRO A 685 15.939 1.742 -21.082 1.00 1.00 H new ATOM 0 HG2 PRO A 685 15.999 -0.357 -22.845 1.00 1.00 H new ATOM 0 HG3 PRO A 685 16.948 -0.307 -21.373 1.00 1.00 H new ATOM 0 HD2 PRO A 685 14.415 -1.858 -21.934 1.00 1.00 H new ATOM 0 HD3 PRO A 685 15.771 -2.304 -20.919 1.00 1.00 H new ATOM 17 N GLU A 686 11.979 0.312 -19.755 1.00 1.00 N ATOM 18 CA GLU A 686 10.575 0.686 -19.892 1.00 1.00 C ATOM 19 C GLU A 686 9.848 0.539 -18.561 1.00 1.00 C ATOM 20 O GLU A 686 10.105 -0.393 -17.794 1.00 1.00 O ATOM 21 CB GLU A 686 9.885 -0.181 -20.950 1.00 1.00 C ATOM 22 CG GLU A 686 10.511 0.090 -22.321 1.00 1.00 C ATOM 23 CD GLU A 686 9.855 -0.790 -23.380 1.00 1.00 C ATOM 24 OE1 GLU A 686 8.838 -1.393 -23.079 1.00 1.00 O ATOM 25 OE2 GLU A 686 10.371 -0.835 -24.487 1.00 1.00 O ATOM 0 H GLU A 686 12.152 -0.509 -19.175 1.00 1.00 H new ATOM 0 HA GLU A 686 10.536 1.729 -20.206 1.00 1.00 H new ATOM 0 HB2 GLU A 686 9.987 -1.236 -20.694 1.00 1.00 H new ATOM 0 HB3 GLU A 686 8.818 0.039 -20.976 1.00 1.00 H new ATOM 0 HG2 GLU A 686 10.389 1.141 -22.584 1.00 1.00 H new ATOM 0 HG3 GLU A 686 11.582 -0.107 -22.286 1.00 1.00 H new ATOM 32 N SER A 687 8.935 1.467 -18.303 1.00 1.00 N ATOM 33 CA SER A 687 8.154 1.454 -17.071 1.00 1.00 C ATOM 34 C SER A 687 9.040 1.181 -15.861 1.00 1.00 C ATOM 35 O SER A 687 9.015 0.091 -15.294 1.00 1.00 O ATOM 36 CB SER A 687 7.068 0.382 -17.152 1.00 1.00 C ATOM 37 OG SER A 687 5.920 0.929 -17.786 1.00 1.00 O ATOM 0 H SER A 687 8.716 2.240 -18.932 1.00 1.00 H new ATOM 0 HA SER A 687 7.697 2.436 -16.954 1.00 1.00 H new ATOM 0 HB2 SER A 687 7.432 -0.480 -17.712 1.00 1.00 H new ATOM 0 HB3 SER A 687 6.813 0.029 -16.153 1.00 1.00 H new ATOM 0 HG SER A 687 5.220 0.245 -17.842 1.00 1.00 H new ATOM 43 N PRO A 688 9.813 2.152 -15.461 1.00 1.00 N ATOM 44 CA PRO A 688 10.727 2.023 -14.287 1.00 1.00 C ATOM 45 C PRO A 688 9.987 1.681 -12.996 1.00 1.00 C ATOM 46 O PRO A 688 8.879 2.159 -12.748 1.00 1.00 O ATOM 47 CB PRO A 688 11.382 3.403 -14.170 1.00 1.00 C ATOM 48 CG PRO A 688 11.195 4.055 -15.502 1.00 1.00 C ATOM 49 CD PRO A 688 9.909 3.475 -16.089 1.00 1.00 C ATOM 0 HA PRO A 688 11.439 1.211 -14.432 1.00 1.00 H new ATOM 0 HB2 PRO A 688 10.918 3.991 -13.378 1.00 1.00 H new ATOM 0 HB3 PRO A 688 12.440 3.314 -13.923 1.00 1.00 H new ATOM 0 HG2 PRO A 688 11.121 5.137 -15.398 1.00 1.00 H new ATOM 0 HG3 PRO A 688 12.045 3.855 -16.155 1.00 1.00 H new ATOM 0 HD2 PRO A 688 9.044 4.095 -15.853 1.00 1.00 H new ATOM 0 HD3 PRO A 688 9.961 3.401 -17.175 1.00 1.00 H new ATOM 57 N LYS A 689 10.624 0.855 -12.173 1.00 1.00 N ATOM 58 CA LYS A 689 10.044 0.453 -10.898 1.00 1.00 C ATOM 59 C LYS A 689 9.871 1.668 -9.989 1.00 1.00 C ATOM 60 O LYS A 689 8.881 1.777 -9.266 1.00 1.00 O ATOM 61 CB LYS A 689 10.950 -0.584 -10.225 1.00 1.00 C ATOM 62 CG LYS A 689 10.310 -1.076 -8.925 1.00 1.00 C ATOM 63 CD LYS A 689 11.240 -2.089 -8.259 1.00 1.00 C ATOM 64 CE LYS A 689 10.613 -2.575 -6.954 1.00 1.00 C ATOM 65 NZ LYS A 689 11.511 -3.578 -6.312 1.00 1.00 N ATOM 0 H LYS A 689 11.541 0.452 -12.366 1.00 1.00 H new ATOM 0 HA LYS A 689 9.064 0.011 -11.076 1.00 1.00 H new ATOM 0 HB2 LYS A 689 11.116 -1.425 -10.898 1.00 1.00 H new ATOM 0 HB3 LYS A 689 11.926 -0.145 -10.016 1.00 1.00 H new ATOM 0 HG2 LYS A 689 10.128 -0.236 -8.255 1.00 1.00 H new ATOM 0 HG3 LYS A 689 9.343 -1.534 -9.132 1.00 1.00 H new ATOM 0 HD2 LYS A 689 11.415 -2.932 -8.927 1.00 1.00 H new ATOM 0 HD3 LYS A 689 12.210 -1.633 -8.061 1.00 1.00 H new ATOM 0 HE2 LYS A 689 10.451 -1.733 -6.281 1.00 1.00 H new ATOM 0 HE3 LYS A 689 9.637 -3.019 -7.151 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 11.083 -3.908 -5.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 11.644 -4.386 -6.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 12.433 -3.140 -6.111 1.00 1.00 H new ATOM 79 N GLY A 690 10.845 2.572 -10.026 1.00 1.00 N ATOM 80 CA GLY A 690 10.795 3.772 -9.195 1.00 1.00 C ATOM 81 C GLY A 690 11.190 3.450 -7.759 1.00 1.00 C ATOM 82 O GLY A 690 10.423 3.687 -6.826 1.00 1.00 O ATOM 0 H GLY A 690 11.673 2.499 -10.617 1.00 1.00 H new ATOM 0 HA2 GLY A 690 11.466 4.529 -9.601 1.00 1.00 H new ATOM 0 HA3 GLY A 690 9.790 4.193 -9.215 1.00 1.00 H new ATOM 86 N PRO A 691 12.362 2.910 -7.575 1.00 1.00 N ATOM 87 CA PRO A 691 12.881 2.536 -6.231 1.00 1.00 C ATOM 88 C PRO A 691 13.336 3.742 -5.418 1.00 1.00 C ATOM 89 O PRO A 691 13.681 4.788 -5.969 1.00 1.00 O ATOM 90 CB PRO A 691 14.057 1.618 -6.556 1.00 1.00 C ATOM 91 CG PRO A 691 14.571 2.121 -7.860 1.00 1.00 C ATOM 92 CD PRO A 691 13.342 2.599 -8.633 1.00 1.00 C ATOM 0 HA PRO A 691 12.116 2.067 -5.612 1.00 1.00 H new ATOM 0 HB2 PRO A 691 14.823 1.665 -5.782 1.00 1.00 H new ATOM 0 HB3 PRO A 691 13.741 0.577 -6.628 1.00 1.00 H new ATOM 0 HG2 PRO A 691 15.282 2.934 -7.713 1.00 1.00 H new ATOM 0 HG3 PRO A 691 15.094 1.335 -8.404 1.00 1.00 H new ATOM 0 HD2 PRO A 691 13.567 3.476 -9.240 1.00 1.00 H new ATOM 0 HD3 PRO A 691 12.970 1.829 -9.309 1.00 1.00 H new ATOM 100 N ASP A 692 13.319 3.582 -4.103 1.00 1.00 N ATOM 101 CA ASP A 692 13.720 4.647 -3.196 1.00 1.00 C ATOM 102 C ASP A 692 15.213 4.914 -3.289 1.00 1.00 C ATOM 103 O ASP A 692 16.019 4.019 -3.541 1.00 1.00 O ATOM 104 CB ASP A 692 13.373 4.259 -1.760 1.00 1.00 C ATOM 105 CG ASP A 692 11.865 4.320 -1.553 1.00 1.00 C ATOM 106 OD1 ASP A 692 11.190 4.866 -2.412 1.00 1.00 O ATOM 107 OD2 ASP A 692 11.407 3.821 -0.538 1.00 1.00 O ATOM 0 H ASP A 692 13.030 2.721 -3.639 1.00 1.00 H new ATOM 0 HA ASP A 692 13.184 5.552 -3.482 1.00 1.00 H new ATOM 0 HB2 ASP A 692 13.737 3.254 -1.548 1.00 1.00 H new ATOM 0 HB3 ASP A 692 13.872 4.932 -1.062 1.00 1.00 H new ATOM 112 N ILE A 693 15.563 6.167 -3.041 1.00 1.00 N ATOM 113 CA ILE A 693 16.942 6.622 -3.042 1.00 1.00 C ATOM 114 C ILE A 693 17.718 5.965 -1.904 1.00 1.00 C ATOM 115 O ILE A 693 18.879 5.584 -2.064 1.00 1.00 O ATOM 116 CB ILE A 693 16.981 8.139 -2.885 1.00 1.00 C ATOM 117 CG1 ILE A 693 16.414 8.787 -4.150 1.00 1.00 C ATOM 118 CG2 ILE A 693 18.424 8.592 -2.666 1.00 1.00 C ATOM 119 CD1 ILE A 693 16.188 10.278 -3.907 1.00 1.00 C ATOM 0 H ILE A 693 14.889 6.903 -2.831 1.00 1.00 H new ATOM 0 HA ILE A 693 17.405 6.343 -3.988 1.00 1.00 H new ATOM 0 HB ILE A 693 16.382 8.439 -2.025 1.00 1.00 H new ATOM 0 HG12 ILE A 693 17.102 8.645 -4.983 1.00 1.00 H new ATOM 0 HG13 ILE A 693 15.475 8.307 -4.427 1.00 1.00 H new ATOM 0 HG21 ILE A 693 18.452 9.676 -2.554 1.00 1.00 H new ATOM 0 HG22 ILE A 693 18.820 8.124 -1.765 1.00 1.00 H new ATOM 0 HG23 ILE A 693 19.031 8.300 -3.523 1.00 1.00 H new ATOM 0 HD11 ILE A 693 15.784 10.737 -4.810 1.00 1.00 H new ATOM 0 HD12 ILE A 693 15.483 10.410 -3.086 1.00 1.00 H new ATOM 0 HD13 ILE A 693 17.135 10.753 -3.651 1.00 1.00 H new ATOM 131 N LEU A 694 17.064 5.860 -0.748 1.00 1.00 N ATOM 132 CA LEU A 694 17.687 5.274 0.435 1.00 1.00 C ATOM 133 C LEU A 694 18.070 3.812 0.193 1.00 1.00 C ATOM 134 O LEU A 694 19.143 3.373 0.605 1.00 1.00 O ATOM 135 CB LEU A 694 16.733 5.379 1.636 1.00 1.00 C ATOM 136 CG LEU A 694 16.575 6.852 2.057 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.497 6.974 3.138 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.899 7.395 2.612 1.00 1.00 C ATOM 0 H LEU A 694 16.104 6.173 -0.607 1.00 1.00 H new ATOM 0 HA LEU A 694 18.600 5.830 0.649 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.761 4.960 1.376 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.120 4.793 2.470 1.00 1.00 H new ATOM 0 HG LEU A 694 16.286 7.430 1.179 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.391 8.019 3.430 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.547 6.609 2.748 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.784 6.381 4.007 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.771 8.437 2.905 1.00 1.00 H new ATOM 0 HD22 LEU A 694 18.197 6.808 3.481 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.670 7.326 1.845 1.00 1.00 H new ATOM 150 N VAL A 695 17.196 3.063 -0.477 1.00 1.00 N ATOM 151 CA VAL A 695 17.458 1.652 -0.766 1.00 1.00 C ATOM 152 C VAL A 695 18.687 1.493 -1.661 1.00 1.00 C ATOM 153 O VAL A 695 19.505 0.598 -1.452 1.00 1.00 O ATOM 154 CB VAL A 695 16.234 1.023 -1.441 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.563 -0.402 -1.898 1.00 1.00 C ATOM 156 CG2 VAL A 695 15.075 0.989 -0.439 1.00 1.00 C ATOM 0 H VAL A 695 16.303 3.407 -0.829 1.00 1.00 H new ATOM 0 HA VAL A 695 17.655 1.141 0.176 1.00 1.00 H new ATOM 0 HB VAL A 695 15.953 1.616 -2.312 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.688 -0.842 -2.377 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.390 -0.375 -2.608 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.846 -1.005 -1.035 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.199 0.543 -0.911 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.362 0.395 0.429 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.838 2.005 -0.122 1.00 1.00 H new ATOM 166 N VAL A 696 18.814 2.371 -2.651 1.00 1.00 N ATOM 167 CA VAL A 696 19.956 2.314 -3.562 1.00 1.00 C ATOM 168 C VAL A 696 21.259 2.505 -2.789 1.00 1.00 C ATOM 169 O VAL A 696 22.225 1.765 -2.969 1.00 1.00 O ATOM 170 CB VAL A 696 19.826 3.407 -4.629 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.128 3.511 -5.427 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.678 3.056 -5.577 1.00 1.00 C ATOM 0 H VAL A 696 18.151 3.122 -2.843 1.00 1.00 H new ATOM 0 HA VAL A 696 19.970 1.337 -4.045 1.00 1.00 H new ATOM 0 HB VAL A 696 19.624 4.362 -4.143 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.030 4.289 -6.184 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.948 3.761 -4.754 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.334 2.557 -5.912 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.583 3.832 -6.337 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.883 2.100 -6.058 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.748 2.986 -5.012 1.00 1.00 H new ATOM 182 N LEU A 697 21.273 3.519 -1.928 1.00 1.00 N ATOM 183 CA LEU A 697 22.461 3.807 -1.131 1.00 1.00 C ATOM 184 C LEU A 697 22.759 2.659 -0.164 1.00 1.00 C ATOM 185 O LEU A 697 23.916 2.276 0.025 1.00 1.00 O ATOM 186 CB LEU A 697 22.263 5.104 -0.338 1.00 1.00 C ATOM 187 CG LEU A 697 22.187 6.301 -1.301 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.819 7.569 -0.524 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.537 6.515 -1.996 1.00 1.00 C ATOM 0 H LEU A 697 20.486 4.147 -1.766 1.00 1.00 H new ATOM 0 HA LEU A 697 23.305 3.921 -1.811 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.349 5.043 0.253 1.00 1.00 H new ATOM 0 HB3 LEU A 697 23.087 5.241 0.362 1.00 1.00 H new ATOM 0 HG LEU A 697 21.425 6.092 -2.052 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.766 8.414 -1.211 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.851 7.432 -0.042 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.577 7.764 0.234 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.466 7.366 -2.674 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.305 6.710 -1.247 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.801 5.621 -2.561 1.00 1.00 H new ATOM 201 N LEU A 698 21.708 2.113 0.448 1.00 1.00 N ATOM 202 CA LEU A 698 21.857 1.015 1.401 1.00 1.00 C ATOM 203 C LEU A 698 22.471 -0.212 0.730 1.00 1.00 C ATOM 204 O LEU A 698 23.332 -0.879 1.304 1.00 1.00 O ATOM 205 CB LEU A 698 20.489 0.651 1.988 1.00 1.00 C ATOM 206 CG LEU A 698 20.083 1.687 3.046 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.623 1.464 3.448 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.979 1.566 4.289 1.00 1.00 C ATOM 0 H LEU A 698 20.745 2.414 0.300 1.00 1.00 H new ATOM 0 HA LEU A 698 22.524 1.341 2.199 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.741 0.615 1.196 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.528 -0.342 2.435 1.00 1.00 H new ATOM 0 HG LEU A 698 20.201 2.684 2.622 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.336 2.200 4.199 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.984 1.572 2.572 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.508 0.461 3.860 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.677 2.308 5.029 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.878 0.568 4.714 1.00 1.00 H new ATOM 0 HD23 LEU A 698 22.018 1.737 4.007 1.00 1.00 H new ATOM 220 N SER A 699 22.034 -0.485 -0.498 1.00 1.00 N ATOM 221 CA SER A 699 22.553 -1.615 -1.262 1.00 1.00 C ATOM 222 C SER A 699 24.009 -1.373 -1.641 1.00 1.00 C ATOM 223 O SER A 699 24.826 -2.293 -1.623 1.00 1.00 O ATOM 224 CB SER A 699 21.723 -1.821 -2.528 1.00 1.00 C ATOM 225 OG SER A 699 20.350 -1.918 -2.180 1.00 1.00 O ATOM 0 H SER A 699 21.322 0.061 -0.984 1.00 1.00 H new ATOM 0 HA SER A 699 22.490 -2.509 -0.642 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.877 -0.990 -3.217 1.00 1.00 H new ATOM 0 HB3 SER A 699 22.044 -2.726 -3.043 1.00 1.00 H new ATOM 0 HG SER A 699 20.005 -1.028 -1.959 1.00 1.00 H new ATOM 231 N VAL A 700 24.323 -0.126 -1.984 1.00 1.00 N ATOM 232 CA VAL A 700 25.684 0.236 -2.370 1.00 1.00 C ATOM 233 C VAL A 700 26.654 -0.016 -1.223 1.00 1.00 C ATOM 234 O VAL A 700 27.728 -0.586 -1.418 1.00 1.00 O ATOM 235 CB VAL A 700 25.729 1.718 -2.761 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.182 2.197 -2.794 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.114 1.915 -4.150 1.00 1.00 C ATOM 0 H VAL A 700 23.658 0.647 -2.003 1.00 1.00 H new ATOM 0 HA VAL A 700 25.980 -0.380 -3.219 1.00 1.00 H new ATOM 0 HB VAL A 700 25.163 2.291 -2.026 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.212 3.251 -3.072 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.630 2.069 -1.808 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.741 1.613 -3.525 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.151 2.971 -4.418 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.676 1.335 -4.882 1.00 1.00 H new ATOM 0 HG23 VAL A 700 24.077 1.579 -4.140 1.00 1.00 H new ATOM 247 N MET A 701 26.277 0.433 -0.028 1.00 1.00 N ATOM 248 CA MET A 701 27.131 0.275 1.143 1.00 1.00 C ATOM 249 C MET A 701 27.364 -1.196 1.480 1.00 1.00 C ATOM 250 O MET A 701 28.478 -1.589 1.826 1.00 1.00 O ATOM 251 CB MET A 701 26.494 0.968 2.352 1.00 1.00 C ATOM 252 CG MET A 701 26.657 2.486 2.225 1.00 1.00 C ATOM 253 SD MET A 701 25.793 3.308 3.590 1.00 1.00 S ATOM 254 CE MET A 701 26.876 2.764 4.939 1.00 1.00 C ATOM 0 H MET A 701 25.392 0.906 0.153 1.00 1.00 H new ATOM 0 HA MET A 701 28.093 0.731 0.909 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.437 0.711 2.415 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.963 0.618 3.272 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.714 2.751 2.239 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.256 2.826 1.270 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.773 3.444 5.785 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.595 1.757 5.247 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.911 2.764 4.597 1.00 1.00 H new ATOM 264 N GLY A 702 26.315 -2.013 1.385 1.00 1.00 N ATOM 265 CA GLY A 702 26.440 -3.432 1.697 1.00 1.00 C ATOM 266 C GLY A 702 27.335 -4.154 0.698 1.00 1.00 C ATOM 267 O GLY A 702 28.187 -4.955 1.082 1.00 1.00 O ATOM 0 H GLY A 702 25.381 -1.719 1.098 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.848 -3.549 2.701 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.452 -3.892 1.699 1.00 1.00 H new ATOM 271 N ALA A 703 27.119 -3.893 -0.584 1.00 1.00 N ATOM 272 CA ALA A 703 27.897 -4.550 -1.624 1.00 1.00 C ATOM 273 C ALA A 703 29.394 -4.311 -1.440 1.00 1.00 C ATOM 274 O ALA A 703 30.188 -5.245 -1.445 1.00 1.00 O ATOM 275 CB ALA A 703 27.454 -4.037 -2.995 1.00 1.00 C ATOM 0 H ALA A 703 26.417 -3.237 -0.926 1.00 1.00 H new ATOM 0 HA ALA A 703 27.719 -5.623 -1.554 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.037 -4.529 -3.773 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.396 -4.256 -3.141 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.613 -2.960 -3.049 1.00 1.00 H new ATOM 281 N ILE A 704 29.762 -3.049 -1.253 1.00 1.00 N ATOM 282 CA ILE A 704 31.165 -2.702 -1.052 1.00 1.00 C ATOM 283 C ILE A 704 31.699 -3.340 0.231 1.00 1.00 C ATOM 284 O ILE A 704 32.812 -3.864 0.257 1.00 1.00 O ATOM 285 CB ILE A 704 31.320 -1.180 -0.957 1.00 1.00 C ATOM 286 CG1 ILE A 704 31.015 -0.545 -2.317 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.753 -0.838 -0.537 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.847 0.968 -2.150 1.00 1.00 C ATOM 0 H ILE A 704 29.119 -2.258 -1.236 1.00 1.00 H new ATOM 0 HA ILE A 704 31.734 -3.078 -1.902 1.00 1.00 H new ATOM 0 HB ILE A 704 30.623 -0.790 -0.215 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.823 -0.756 -3.018 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.107 -0.978 -2.737 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.864 0.244 -0.469 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.964 -1.286 0.434 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.452 -1.229 -1.277 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.630 1.419 -3.118 1.00 1.00 H new ATOM 0 HD12 ILE A 704 30.025 1.169 -1.463 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.767 1.394 -1.749 1.00 1.00 H new ATOM 300 N LEU A 705 30.901 -3.282 1.296 1.00 1.00 N ATOM 301 CA LEU A 705 31.310 -3.837 2.585 1.00 1.00 C ATOM 302 C LEU A 705 31.503 -5.350 2.515 1.00 1.00 C ATOM 303 O LEU A 705 32.470 -5.881 3.057 1.00 1.00 O ATOM 304 CB LEU A 705 30.253 -3.510 3.653 1.00 1.00 C ATOM 305 CG LEU A 705 30.673 -4.087 5.016 1.00 1.00 C ATOM 306 CD1 LEU A 705 32.028 -3.515 5.434 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.628 -3.718 6.069 1.00 1.00 C ATOM 0 H LEU A 705 29.973 -2.859 1.292 1.00 1.00 H new ATOM 0 HA LEU A 705 32.265 -3.384 2.850 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.127 -2.430 3.731 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.288 -3.923 3.358 1.00 1.00 H new ATOM 0 HG LEU A 705 30.750 -5.171 4.933 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.316 -3.930 6.400 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.779 -3.777 4.688 1.00 1.00 H new ATOM 0 HD13 LEU A 705 31.957 -2.430 5.512 1.00 1.00 H new ATOM 0 HD21 LEU A 705 29.925 -4.126 7.035 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.552 -2.633 6.142 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.661 -4.131 5.782 1.00 1.00 H new ATOM 319 N LEU A 706 30.577 -6.043 1.869 1.00 1.00 N ATOM 320 CA LEU A 706 30.662 -7.493 1.765 1.00 1.00 C ATOM 321 C LEU A 706 31.893 -7.921 0.977 1.00 1.00 C ATOM 322 O LEU A 706 32.588 -8.867 1.343 1.00 1.00 O ATOM 323 CB LEU A 706 29.404 -8.040 1.091 1.00 1.00 C ATOM 324 CG LEU A 706 28.217 -7.938 2.054 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.926 -8.235 1.292 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.375 -8.948 3.206 1.00 1.00 C ATOM 0 H LEU A 706 29.764 -5.629 1.412 1.00 1.00 H new ATOM 0 HA LEU A 706 30.745 -7.899 2.773 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.195 -7.479 0.180 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.559 -9.078 0.798 1.00 1.00 H new ATOM 0 HG LEU A 706 28.181 -6.931 2.470 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.077 -8.164 1.972 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.805 -7.512 0.485 1.00 1.00 H new ATOM 0 HD13 LEU A 706 26.973 -9.241 0.875 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.524 -8.864 3.882 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.418 -9.959 2.800 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.295 -8.737 3.752 1.00 1.00 H new ATOM 338 N ILE A 707 32.152 -7.195 -0.105 1.00 1.00 N ATOM 339 CA ILE A 707 33.307 -7.480 -0.942 1.00 1.00 C ATOM 340 C ILE A 707 34.589 -7.265 -0.143 1.00 1.00 C ATOM 341 O ILE A 707 35.522 -8.067 -0.207 1.00 1.00 O ATOM 342 CB ILE A 707 33.304 -6.558 -2.164 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.123 -6.915 -3.066 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.604 -6.735 -2.953 1.00 1.00 C ATOM 345 CD1 ILE A 707 31.919 -5.806 -4.100 1.00 1.00 C ATOM 0 H ILE A 707 31.581 -6.411 -0.420 1.00 1.00 H new ATOM 0 HA ILE A 707 33.258 -8.517 -1.274 1.00 1.00 H new ATOM 0 HB ILE A 707 33.219 -5.524 -1.830 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.308 -7.865 -3.567 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.220 -7.041 -2.469 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.595 -6.076 -3.821 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.453 -6.485 -2.316 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.691 -7.770 -3.284 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.077 -6.059 -4.744 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.715 -4.865 -3.589 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.820 -5.702 -4.705 1.00 1.00 H new ATOM 357 N GLY A 708 34.619 -6.172 0.614 1.00 1.00 N ATOM 358 CA GLY A 708 35.784 -5.854 1.429 1.00 1.00 C ATOM 359 C GLY A 708 36.058 -6.981 2.413 1.00 1.00 C ATOM 360 O GLY A 708 37.207 -7.372 2.621 1.00 1.00 O ATOM 0 H GLY A 708 33.856 -5.498 0.679 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.653 -5.700 0.790 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.616 -4.922 1.969 1.00 1.00 H new ATOM 364 N LEU A 709 34.995 -7.509 3.006 1.00 1.00 N ATOM 365 CA LEU A 709 35.145 -8.599 3.954 1.00 1.00 C ATOM 366 C LEU A 709 35.719 -9.821 3.251 1.00 1.00 C ATOM 367 O LEU A 709 36.614 -10.480 3.774 1.00 1.00 O ATOM 368 CB LEU A 709 33.793 -8.946 4.579 1.00 1.00 C ATOM 369 CG LEU A 709 33.356 -7.821 5.525 1.00 1.00 C ATOM 370 CD1 LEU A 709 31.902 -8.046 5.930 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.232 -7.804 6.788 1.00 1.00 C ATOM 0 H LEU A 709 34.034 -7.204 2.849 1.00 1.00 H new ATOM 0 HA LEU A 709 35.828 -8.287 4.744 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.046 -9.088 3.798 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.865 -9.886 5.126 1.00 1.00 H new ATOM 0 HG LEU A 709 33.463 -6.867 5.009 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.584 -7.250 6.603 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.272 -8.042 5.041 1.00 1.00 H new ATOM 0 HD13 LEU A 709 31.810 -9.007 6.436 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.906 -6.999 7.446 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.139 -8.758 7.308 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.273 -7.644 6.507 1.00 1.00 H new ATOM 383 N ALA A 710 35.212 -10.113 2.059 1.00 1.00 N ATOM 384 CA ALA A 710 35.707 -11.257 1.306 1.00 1.00 C ATOM 385 C ALA A 710 37.181 -11.048 0.975 1.00 1.00 C ATOM 386 O ALA A 710 37.971 -11.993 0.977 1.00 1.00 O ATOM 387 CB ALA A 710 34.899 -11.433 0.016 1.00 1.00 C ATOM 0 H ALA A 710 34.471 -9.583 1.600 1.00 1.00 H new ATOM 0 HA ALA A 710 35.596 -12.158 1.910 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.279 -12.292 -0.537 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.850 -11.596 0.263 1.00 1.00 H new ATOM 0 HB3 ALA A 710 34.992 -10.536 -0.597 1.00 1.00 H new ATOM 393 N ALA A 711 37.544 -9.801 0.690 1.00 1.00 N ATOM 394 CA ALA A 711 38.936 -9.497 0.362 1.00 1.00 C ATOM 395 C ALA A 711 39.847 -9.742 1.563 1.00 1.00 C ATOM 396 O ALA A 711 40.923 -10.325 1.427 1.00 1.00 O ATOM 397 CB ALA A 711 39.076 -8.046 -0.100 1.00 1.00 C ATOM 0 H ALA A 711 36.912 -9.000 0.679 1.00 1.00 H new ATOM 0 HA ALA A 711 39.238 -10.161 -0.448 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.119 -7.839 -0.339 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.462 -7.885 -0.986 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.747 -7.377 0.696 1.00 1.00 H new ATOM 403 N LEU A 712 39.423 -9.277 2.738 1.00 1.00 N ATOM 404 CA LEU A 712 40.214 -9.432 3.955 1.00 1.00 C ATOM 405 C LEU A 712 40.411 -10.902 4.302 1.00 1.00 C ATOM 406 O LEU A 712 41.488 -11.315 4.737 1.00 1.00 O ATOM 407 CB LEU A 712 39.517 -8.714 5.120 1.00 1.00 C ATOM 408 CG LEU A 712 40.326 -8.870 6.420 1.00 1.00 C ATOM 409 CD1 LEU A 712 41.754 -8.351 6.228 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.653 -8.058 7.533 1.00 1.00 C ATOM 0 H LEU A 712 38.536 -8.790 2.871 1.00 1.00 H new ATOM 0 HA LEU A 712 41.195 -8.989 3.782 1.00 1.00 H new ATOM 0 HB2 LEU A 712 39.400 -7.656 4.884 1.00 1.00 H new ATOM 0 HB3 LEU A 712 38.516 -9.122 5.258 1.00 1.00 H new ATOM 0 HG LEU A 712 40.361 -9.926 6.686 1.00 1.00 H new ATOM 0 HD11 LEU A 712 42.312 -8.469 7.157 1.00 1.00 H new ATOM 0 HD12 LEU A 712 42.244 -8.918 5.436 1.00 1.00 H new ATOM 0 HD13 LEU A 712 41.724 -7.296 5.954 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.222 -8.165 8.456 1.00 1.00 H new ATOM 0 HD22 LEU A 712 39.620 -7.007 7.247 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.638 -8.424 7.688 1.00 1.00 H new ATOM 422 N LEU A 713 39.348 -11.681 4.131 1.00 1.00 N ATOM 423 CA LEU A 713 39.385 -13.101 4.455 1.00 1.00 C ATOM 424 C LEU A 713 40.406 -13.858 3.617 1.00 1.00 C ATOM 425 O LEU A 713 41.167 -14.672 4.133 1.00 1.00 O ATOM 426 CB LEU A 713 38.004 -13.706 4.207 1.00 1.00 C ATOM 427 CG LEU A 713 37.021 -13.187 5.262 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.594 -13.542 4.846 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.328 -13.812 6.631 1.00 1.00 C ATOM 0 H LEU A 713 38.452 -11.353 3.770 1.00 1.00 H new ATOM 0 HA LEU A 713 39.674 -13.192 5.502 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.654 -13.443 3.209 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.059 -14.794 4.250 1.00 1.00 H new ATOM 0 HG LEU A 713 37.123 -12.105 5.339 1.00 1.00 H new ATOM 0 HD11 LEU A 713 34.894 -13.173 5.596 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.370 -13.082 3.884 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.498 -14.624 4.762 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.622 -13.434 7.370 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.238 -14.896 6.564 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.343 -13.550 6.931 1.00 1.00 H new ATOM 441 N ILE A 714 40.429 -13.565 2.324 1.00 1.00 N ATOM 442 CA ILE A 714 41.377 -14.210 1.431 1.00 1.00 C ATOM 443 C ILE A 714 42.796 -13.817 1.834 1.00 1.00 C ATOM 444 O ILE A 714 43.694 -14.657 1.896 1.00 1.00 O ATOM 445 CB ILE A 714 41.094 -13.791 -0.014 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.761 -14.408 -0.458 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.229 -14.263 -0.926 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.989 -15.801 -1.058 1.00 1.00 C ATOM 0 H ILE A 714 39.808 -12.892 1.875 1.00 1.00 H new ATOM 0 HA ILE A 714 41.274 -15.293 1.504 1.00 1.00 H new ATOM 0 HB ILE A 714 41.030 -12.705 -0.079 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.084 -14.478 0.394 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.281 -13.762 -1.194 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.020 -13.961 -1.952 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.168 -13.815 -0.600 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.308 -15.349 -0.876 1.00 1.00 H new ATOM 0 HD11 ILE A 714 39.034 -16.225 -1.368 1.00 1.00 H new ATOM 0 HD12 ILE A 714 40.648 -15.721 -1.923 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.448 -16.448 -0.311 1.00 1.00 H new ATOM 460 N TRP A 715 42.976 -12.536 2.127 1.00 1.00 N ATOM 461 CA TRP A 715 44.299 -12.081 2.540 1.00 1.00 C ATOM 462 C TRP A 715 44.771 -12.935 3.727 1.00 1.00 C ATOM 463 O TRP A 715 45.887 -13.450 3.739 1.00 1.00 O ATOM 464 CB TRP A 715 44.231 -10.594 2.925 1.00 1.00 C ATOM 465 CG TRP A 715 45.579 -10.062 3.330 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.772 -10.699 3.192 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.882 -8.769 3.933 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.772 -9.886 3.693 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.277 -8.687 4.156 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.084 -7.670 4.308 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.860 -7.558 4.733 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.670 -6.532 4.886 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.055 -6.477 5.099 1.00 1.00 C ATOM 0 H TRP A 715 42.254 -11.816 2.090 1.00 1.00 H new ATOM 0 HA TRP A 715 45.011 -12.191 1.722 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.850 -10.017 2.082 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.526 -10.462 3.746 1.00 1.00 H new ATOM 0 HD1 TRP A 715 46.915 -11.679 2.762 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.759 -10.144 3.717 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.016 -7.703 4.150 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.927 -7.520 4.896 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.050 -5.694 5.168 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.499 -5.600 5.546 1.00 1.00 H new ATOM 484 N LYS A 716 43.902 -13.085 4.721 1.00 1.00 N ATOM 485 CA LYS A 716 44.229 -13.877 5.910 1.00 1.00 C ATOM 486 C LYS A 716 44.560 -15.326 5.527 1.00 1.00 C ATOM 487 O LYS A 716 45.488 -15.923 6.074 1.00 1.00 O ATOM 488 CB LYS A 716 43.027 -13.855 6.872 1.00 1.00 C ATOM 489 CG LYS A 716 43.296 -14.594 8.208 1.00 1.00 C ATOM 490 CD LYS A 716 44.080 -13.756 9.260 1.00 1.00 C ATOM 491 CE LYS A 716 45.557 -13.530 8.910 1.00 1.00 C ATOM 492 NZ LYS A 716 46.269 -13.056 10.131 1.00 1.00 N ATOM 0 H LYS A 716 42.969 -12.672 4.731 1.00 1.00 H new ATOM 0 HA LYS A 716 45.104 -13.444 6.394 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.760 -12.820 7.085 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.168 -14.311 6.379 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.342 -14.897 8.640 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.855 -15.506 7.998 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.593 -12.788 9.373 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.020 -14.258 10.226 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.005 -14.455 8.546 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.648 -12.795 8.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.273 -12.898 9.908 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 45.843 -12.165 10.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.189 -13.773 10.880 1.00 1.00 H new ATOM 506 N LEU A 717 43.800 -15.875 4.586 1.00 1.00 N ATOM 507 CA LEU A 717 44.024 -17.249 4.130 1.00 1.00 C ATOM 508 C LEU A 717 45.414 -17.363 3.503 1.00 1.00 C ATOM 509 O LEU A 717 46.093 -18.376 3.671 1.00 1.00 O ATOM 510 CB LEU A 717 42.952 -17.650 3.109 1.00 1.00 C ATOM 511 CG LEU A 717 41.644 -18.016 3.835 1.00 1.00 C ATOM 512 CD1 LEU A 717 40.516 -18.154 2.811 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.794 -19.342 4.595 1.00 1.00 C ATOM 0 H LEU A 717 43.027 -15.396 4.124 1.00 1.00 H new ATOM 0 HA LEU A 717 43.960 -17.922 4.985 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.775 -16.829 2.414 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.299 -18.498 2.519 1.00 1.00 H new ATOM 0 HG LEU A 717 41.413 -17.225 4.548 1.00 1.00 H new ATOM 0 HD11 LEU A 717 39.589 -18.413 3.323 1.00 1.00 H new ATOM 0 HD12 LEU A 717 40.387 -17.209 2.283 1.00 1.00 H new ATOM 0 HD13 LEU A 717 40.767 -18.938 2.097 1.00 1.00 H new ATOM 0 HD21 LEU A 717 40.858 -19.580 5.100 1.00 1.00 H new ATOM 0 HD22 LEU A 717 42.040 -20.138 3.892 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.591 -19.250 5.333 1.00 1.00 H new ATOM 525 N LEU A 718 45.832 -16.346 2.756 1.00 1.00 N ATOM 526 CA LEU A 718 47.133 -16.390 2.088 1.00 1.00 C ATOM 527 C LEU A 718 48.281 -16.532 3.088 1.00 1.00 C ATOM 528 O LEU A 718 49.213 -17.305 2.867 1.00 1.00 O ATOM 529 CB LEU A 718 47.343 -15.108 1.279 1.00 1.00 C ATOM 530 CG LEU A 718 46.547 -15.156 -0.029 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.593 -13.773 -0.677 1.00 1.00 C ATOM 532 CD2 LEU A 718 47.151 -16.189 -0.994 1.00 1.00 C ATOM 0 H LEU A 718 45.299 -15.491 2.598 1.00 1.00 H new ATOM 0 HA LEU A 718 47.134 -17.262 1.433 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.032 -14.245 1.868 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.403 -14.979 1.061 1.00 1.00 H new ATOM 0 HG LEU A 718 45.518 -15.445 0.187 1.00 1.00 H new ATOM 0 HD11 LEU A 718 46.030 -13.790 -1.610 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.153 -13.040 -0.001 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.629 -13.502 -0.882 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.571 -16.208 -1.917 1.00 1.00 H new ATOM 0 HD22 LEU A 718 48.182 -15.917 -1.219 1.00 1.00 H new ATOM 0 HD23 LEU A 718 47.128 -17.176 -0.531 1.00 1.00 H new ATOM 544 N ILE A 719 48.229 -15.752 4.164 1.00 1.00 N ATOM 545 CA ILE A 719 49.303 -15.779 5.158 1.00 1.00 C ATOM 546 C ILE A 719 49.098 -16.850 6.226 1.00 1.00 C ATOM 547 O ILE A 719 50.065 -17.463 6.676 1.00 1.00 O ATOM 548 CB ILE A 719 49.428 -14.413 5.837 1.00 1.00 C ATOM 549 CG1 ILE A 719 50.025 -13.400 4.854 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.345 -14.535 7.055 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.872 -11.989 5.425 1.00 1.00 C ATOM 0 H ILE A 719 47.470 -15.103 4.370 1.00 1.00 H new ATOM 0 HA ILE A 719 50.218 -16.022 4.618 1.00 1.00 H new ATOM 0 HB ILE A 719 48.441 -14.074 6.151 1.00 1.00 H new ATOM 0 HG12 ILE A 719 51.078 -13.622 4.680 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.521 -13.471 3.890 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.436 -13.563 7.541 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.923 -15.254 7.757 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.330 -14.875 6.736 1.00 1.00 H new ATOM 0 HD11 ILE A 719 50.296 -11.266 4.728 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.815 -11.770 5.576 1.00 1.00 H new ATOM 0 HD13 ILE A 719 50.396 -11.924 6.379 1.00 1.00 H new ATOM 563 N THR A 720 47.857 -17.096 6.624 1.00 1.00 N ATOM 564 CA THR A 720 47.593 -18.117 7.632 1.00 1.00 C ATOM 565 C THR A 720 48.020 -19.486 7.118 1.00 1.00 C ATOM 566 O THR A 720 48.649 -20.260 7.838 1.00 1.00 O ATOM 567 CB THR A 720 46.098 -18.155 7.965 1.00 1.00 C ATOM 568 OG1 THR A 720 45.698 -16.899 8.495 1.00 1.00 O ATOM 569 CG2 THR A 720 45.827 -19.253 8.996 1.00 1.00 C ATOM 0 H THR A 720 47.030 -16.613 6.273 1.00 1.00 H new ATOM 0 HA THR A 720 48.162 -17.870 8.528 1.00 1.00 H new ATOM 0 HB THR A 720 45.532 -18.364 7.057 1.00 1.00 H new ATOM 0 HG1 THR A 720 45.812 -16.205 7.813 1.00 1.00 H new ATOM 0 HG21 THR A 720 44.763 -19.277 9.231 1.00 1.00 H new ATOM 0 HG22 THR A 720 46.131 -20.217 8.589 1.00 1.00 H new ATOM 0 HG23 THR A 720 46.394 -19.048 9.904 1.00 1.00 H new ATOM 577 N ILE A 721 47.662 -19.783 5.876 1.00 1.00 N ATOM 578 CA ILE A 721 48.007 -21.069 5.293 1.00 1.00 C ATOM 579 C ILE A 721 49.521 -21.210 5.188 1.00 1.00 C ATOM 580 O ILE A 721 50.090 -22.246 5.530 1.00 1.00 O ATOM 581 CB ILE A 721 47.402 -21.187 3.900 1.00 1.00 C ATOM 582 CG1 ILE A 721 45.874 -21.201 4.011 1.00 1.00 C ATOM 583 CG2 ILE A 721 47.872 -22.498 3.267 1.00 1.00 C ATOM 584 CD1 ILE A 721 45.255 -20.997 2.628 1.00 1.00 C ATOM 0 H ILE A 721 47.140 -19.159 5.261 1.00 1.00 H new ATOM 0 HA ILE A 721 47.612 -21.857 5.935 1.00 1.00 H new ATOM 0 HB ILE A 721 47.716 -20.343 3.286 1.00 1.00 H new ATOM 0 HG12 ILE A 721 45.539 -22.148 4.434 1.00 1.00 H new ATOM 0 HG13 ILE A 721 45.542 -20.414 4.688 1.00 1.00 H new ATOM 0 HG21 ILE A 721 47.445 -22.594 2.269 1.00 1.00 H new ATOM 0 HG22 ILE A 721 48.960 -22.499 3.198 1.00 1.00 H new ATOM 0 HG23 ILE A 721 47.547 -23.337 3.883 1.00 1.00 H new ATOM 0 HD11 ILE A 721 44.168 -21.008 2.711 1.00 1.00 H new ATOM 0 HD12 ILE A 721 45.579 -20.039 2.222 1.00 1.00 H new ATOM 0 HD13 ILE A 721 45.576 -21.799 1.964 1.00 1.00 H new ATOM 596 N HIS A 722 50.155 -20.145 4.714 1.00 1.00 N ATOM 597 CA HIS A 722 51.601 -20.131 4.564 1.00 1.00 C ATOM 598 C HIS A 722 52.267 -20.749 5.786 1.00 1.00 C ATOM 599 O HIS A 722 51.739 -20.676 6.894 1.00 1.00 O ATOM 600 CB HIS A 722 52.097 -18.697 4.404 1.00 1.00 C ATOM 601 CG HIS A 722 53.421 -18.716 3.705 1.00 1.00 C ATOM 602 ND1 HIS A 722 53.547 -19.070 2.370 1.00 1.00 N ATOM 603 CD2 HIS A 722 54.693 -18.442 4.145 1.00 1.00 C ATOM 604 CE1 HIS A 722 54.853 -19.003 2.056 1.00 1.00 C ATOM 605 NE2 HIS A 722 55.596 -18.622 3.100 1.00 1.00 N ATOM 0 H HIS A 722 49.691 -19.283 4.428 1.00 1.00 H new ATOM 0 HA HIS A 722 51.858 -20.711 3.678 1.00 1.00 H new ATOM 0 HB2 HIS A 722 51.377 -18.111 3.832 1.00 1.00 H new ATOM 0 HB3 HIS A 722 52.193 -18.220 5.380 1.00 1.00 H new ATOM 0 HD2 HIS A 722 54.953 -18.134 5.147 1.00 1.00 H new ATOM 0 HE1 HIS A 722 55.253 -19.230 1.079 1.00 1.00 H new ATOM 0 HE2 HIS A 722 56.607 -18.491 3.126 1.00 1.00 H new ATOM 613 N ASP A 723 53.420 -21.368 5.575 1.00 1.00 N ATOM 614 CA ASP A 723 54.138 -22.004 6.668 1.00 1.00 C ATOM 615 C ASP A 723 54.607 -20.962 7.682 1.00 1.00 C ATOM 616 O ASP A 723 54.600 -21.218 8.883 1.00 1.00 O ATOM 617 CB ASP A 723 55.349 -22.765 6.118 1.00 1.00 C ATOM 618 CG ASP A 723 54.944 -24.164 5.648 1.00 1.00 C ATOM 619 OD1 ASP A 723 53.904 -24.642 6.069 1.00 1.00 O ATOM 620 OD2 ASP A 723 55.683 -24.735 4.862 1.00 1.00 O ATOM 0 H ASP A 723 53.874 -21.443 4.665 1.00 1.00 H new ATOM 0 HA ASP A 723 53.464 -22.700 7.167 1.00 1.00 H new ATOM 0 HB2 ASP A 723 55.787 -22.210 5.288 1.00 1.00 H new ATOM 0 HB3 ASP A 723 56.116 -22.843 6.889 1.00 1.00 H new ATOM 625 N ARG A 724 55.011 -19.791 7.182 1.00 1.00 N ATOM 626 CA ARG A 724 55.493 -18.701 8.037 1.00 1.00 C ATOM 627 C ARG A 724 56.755 -19.112 8.800 1.00 1.00 C ATOM 628 O ARG A 724 57.711 -18.342 8.891 1.00 1.00 O ATOM 629 CB ARG A 724 54.403 -18.277 9.035 1.00 1.00 C ATOM 630 CG ARG A 724 54.893 -17.065 9.838 1.00 1.00 C ATOM 631 CD ARG A 724 53.794 -16.597 10.792 1.00 1.00 C ATOM 632 NE ARG A 724 53.568 -17.591 11.833 1.00 1.00 N ATOM 633 CZ ARG A 724 52.621 -17.417 12.744 1.00 1.00 C ATOM 634 NH1 ARG A 724 51.900 -16.330 12.731 1.00 1.00 N ATOM 635 NH2 ARG A 724 52.419 -18.327 13.657 1.00 1.00 N ATOM 0 H ARG A 724 55.014 -19.572 6.186 1.00 1.00 H new ATOM 0 HA ARG A 724 55.737 -17.858 7.390 1.00 1.00 H new ATOM 0 HB2 ARG A 724 53.484 -18.028 8.504 1.00 1.00 H new ATOM 0 HB3 ARG A 724 54.169 -19.102 9.707 1.00 1.00 H new ATOM 0 HG2 ARG A 724 55.788 -17.328 10.401 1.00 1.00 H new ATOM 0 HG3 ARG A 724 55.169 -16.256 9.161 1.00 1.00 H new ATOM 0 HD2 ARG A 724 54.076 -15.646 11.244 1.00 1.00 H new ATOM 0 HD3 ARG A 724 52.871 -16.425 10.238 1.00 1.00 H new ATOM 0 HE ARG A 724 54.146 -18.431 11.861 1.00 1.00 H new ATOM 0 HH11 ARG A 724 52.066 -15.617 12.021 1.00 1.00 H new ATOM 0 HH12 ARG A 724 51.171 -16.193 13.431 1.00 1.00 H new ATOM 0 HH21 ARG A 724 52.990 -19.172 13.670 1.00 1.00 H new ATOM 0 HH22 ARG A 724 51.690 -18.193 14.358 1.00 1.00 H new ATOM 649 N LYS A 725 56.747 -20.320 9.349 1.00 1.00 N ATOM 650 CA LYS A 725 57.889 -20.818 10.107 1.00 1.00 C ATOM 651 C LYS A 725 59.132 -20.906 9.226 1.00 1.00 C ATOM 652 O LYS A 725 60.233 -20.554 9.653 1.00 1.00 O ATOM 653 CB LYS A 725 57.558 -22.200 10.670 1.00 1.00 C ATOM 654 CG LYS A 725 56.443 -22.070 11.710 1.00 1.00 C ATOM 655 CD LYS A 725 56.074 -23.459 12.229 1.00 1.00 C ATOM 656 CE LYS A 725 54.942 -23.339 13.251 1.00 1.00 C ATOM 657 NZ LYS A 725 54.586 -24.694 13.759 1.00 1.00 N ATOM 0 H LYS A 725 55.965 -20.972 9.284 1.00 1.00 H new ATOM 0 HA LYS A 725 58.096 -20.124 10.922 1.00 1.00 H new ATOM 0 HB2 LYS A 725 57.245 -22.867 9.867 1.00 1.00 H new ATOM 0 HB3 LYS A 725 58.445 -22.642 11.124 1.00 1.00 H new ATOM 0 HG2 LYS A 725 56.770 -21.436 12.534 1.00 1.00 H new ATOM 0 HG3 LYS A 725 55.570 -21.591 11.267 1.00 1.00 H new ATOM 0 HD2 LYS A 725 55.765 -24.097 11.401 1.00 1.00 H new ATOM 0 HD3 LYS A 725 56.943 -23.930 12.687 1.00 1.00 H new ATOM 0 HE2 LYS A 725 55.250 -22.698 14.077 1.00 1.00 H new ATOM 0 HE3 LYS A 725 54.071 -22.871 12.792 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 53.816 -24.613 14.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 54.275 -25.291 12.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 55.417 -25.124 14.212 1.00 1.00 H new ATOM 671 N GLU A 726 58.951 -21.379 7.995 1.00 1.00 N ATOM 672 CA GLU A 726 60.068 -21.508 7.065 1.00 1.00 C ATOM 673 C GLU A 726 60.419 -20.153 6.459 1.00 1.00 C ATOM 674 O GLU A 726 59.550 -19.309 6.248 1.00 1.00 O ATOM 675 CB GLU A 726 59.710 -22.476 5.939 1.00 1.00 C ATOM 676 CG GLU A 726 59.560 -23.890 6.497 1.00 1.00 C ATOM 677 CD GLU A 726 59.116 -24.836 5.387 1.00 1.00 C ATOM 678 OE1 GLU A 726 58.920 -24.365 4.279 1.00 1.00 O ATOM 679 OE2 GLU A 726 58.978 -26.015 5.658 1.00 1.00 O ATOM 0 H GLU A 726 58.050 -21.677 7.622 1.00 1.00 H new ATOM 0 HA GLU A 726 60.926 -21.890 7.619 1.00 1.00 H new ATOM 0 HB2 GLU A 726 58.781 -22.164 5.461 1.00 1.00 H new ATOM 0 HB3 GLU A 726 60.485 -22.458 5.172 1.00 1.00 H new ATOM 0 HG2 GLU A 726 60.507 -24.227 6.918 1.00 1.00 H new ATOM 0 HG3 GLU A 726 58.830 -23.896 7.307 1.00 1.00 H new ATOM 686 N PHE A 727 61.703 -19.960 6.180 1.00 1.00 N ATOM 687 CA PHE A 727 62.177 -18.714 5.592 1.00 1.00 C ATOM 688 C PHE A 727 62.067 -18.757 4.073 1.00 1.00 C ATOM 689 O PHE A 727 62.639 -17.890 3.434 1.00 1.00 O ATOM 690 CB PHE A 727 63.633 -18.488 5.987 1.00 1.00 C ATOM 691 CG PHE A 727 64.463 -19.660 5.513 1.00 1.00 C ATOM 692 CD1 PHE A 727 65.002 -19.662 4.220 1.00 1.00 C ATOM 693 CD2 PHE A 727 64.693 -20.743 6.369 1.00 1.00 C ATOM 694 CE1 PHE A 727 65.772 -20.748 3.784 1.00 1.00 C ATOM 695 CE2 PHE A 727 65.461 -21.828 5.933 1.00 1.00 C ATOM 696 CZ PHE A 727 66.001 -21.831 4.642 1.00 1.00 C ATOM 697 OXT PHE A 727 61.415 -19.657 3.569 1.00 1.00 O ATOM 0 H PHE A 727 62.434 -20.651 6.352 1.00 1.00 H new ATOM 0 HA PHE A 727 61.558 -17.897 5.964 1.00 1.00 H new ATOM 0 HB2 PHE A 727 64.003 -17.563 5.546 1.00 1.00 H new ATOM 0 HB3 PHE A 727 63.717 -18.381 7.069 1.00 1.00 H new ATOM 0 HD1 PHE A 727 64.824 -18.826 3.559 1.00 1.00 H new ATOM 0 HD2 PHE A 727 64.278 -20.741 7.366 1.00 1.00 H new ATOM 0 HE1 PHE A 727 66.188 -20.750 2.788 1.00 1.00 H new ATOM 0 HE2 PHE A 727 65.637 -22.664 6.593 1.00 1.00 H new ATOM 0 HZ PHE A 727 66.595 -22.669 4.307 1.00 1.00 H new TER 707 PHE A 727