USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=7 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 59:sc= 0.0323 USER MOD Single : A 689 LYS NZ :NH3+ -165:sc=-0.00956 (180deg=-0.343) USER MOD Single : A 699 SER OG : rot 60:sc= 1.28 USER MOD Single : A 701 MET CE :methyl 155:sc= -0.133 (180deg=-1.23) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 77:sc= 0.0805 USER MOD Single : A 722 HIS : no HE2:sc= 0.624 K(o=0.62,f=-8.5!) USER MOD Single : A 725 LYS NZ :NH3+ 169:sc= -2.47! (180deg=-2.71!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 28.212 -0.626 -37.337 1.00 1.00 N ATOM 2 CA PRO A 685 28.930 -1.819 -37.847 1.00 1.00 C ATOM 3 C PRO A 685 29.358 -2.680 -36.671 1.00 1.00 C ATOM 4 O PRO A 685 28.857 -2.524 -35.558 1.00 1.00 O ATOM 5 CB PRO A 685 30.157 -1.344 -38.618 1.00 1.00 C ATOM 6 CG PRO A 685 29.936 0.120 -38.814 1.00 1.00 C ATOM 7 CD PRO A 685 28.999 0.587 -37.690 1.00 1.00 C ATOM 0 HA PRO A 685 28.286 -2.406 -38.502 1.00 1.00 H new ATOM 0 HB2 PRO A 685 31.074 -1.535 -38.060 1.00 1.00 H new ATOM 0 HB3 PRO A 685 30.250 -1.862 -39.572 1.00 1.00 H new ATOM 0 HG2 PRO A 685 30.882 0.661 -38.778 1.00 1.00 H new ATOM 0 HG3 PRO A 685 29.494 0.316 -39.791 1.00 1.00 H new ATOM 0 HD2 PRO A 685 29.561 0.960 -36.833 1.00 1.00 H new ATOM 0 HD3 PRO A 685 28.351 1.398 -38.024 1.00 1.00 H new ATOM 17 N GLU A 686 30.300 -3.576 -36.918 1.00 1.00 N ATOM 18 CA GLU A 686 30.802 -4.442 -35.865 1.00 1.00 C ATOM 19 C GLU A 686 31.491 -3.601 -34.796 1.00 1.00 C ATOM 20 O GLU A 686 32.107 -2.579 -35.103 1.00 1.00 O ATOM 21 CB GLU A 686 31.798 -5.447 -36.442 1.00 1.00 C ATOM 22 CG GLU A 686 31.091 -6.435 -37.383 1.00 1.00 C ATOM 23 CD GLU A 686 30.916 -5.819 -38.767 1.00 1.00 C ATOM 24 OE1 GLU A 686 31.192 -4.640 -38.909 1.00 1.00 O ATOM 25 OE2 GLU A 686 30.529 -6.542 -39.672 1.00 1.00 O ATOM 0 H GLU A 686 30.729 -3.722 -37.832 1.00 1.00 H new ATOM 0 HA GLU A 686 29.965 -4.983 -35.422 1.00 1.00 H new ATOM 0 HB2 GLU A 686 32.582 -4.919 -36.984 1.00 1.00 H new ATOM 0 HB3 GLU A 686 32.282 -5.992 -35.632 1.00 1.00 H new ATOM 0 HG2 GLU A 686 31.672 -7.354 -37.458 1.00 1.00 H new ATOM 0 HG3 GLU A 686 30.118 -6.705 -36.973 1.00 1.00 H new ATOM 32 N SER A 687 31.381 -4.026 -33.543 1.00 1.00 N ATOM 33 CA SER A 687 32.001 -3.292 -32.443 1.00 1.00 C ATOM 34 C SER A 687 32.452 -4.244 -31.341 1.00 1.00 C ATOM 35 O SER A 687 31.844 -4.298 -30.270 1.00 1.00 O ATOM 36 CB SER A 687 31.009 -2.285 -31.864 1.00 1.00 C ATOM 37 OG SER A 687 29.736 -2.904 -31.743 1.00 1.00 O ATOM 0 H SER A 687 30.874 -4.866 -33.263 1.00 1.00 H new ATOM 0 HA SER A 687 32.873 -2.768 -32.834 1.00 1.00 H new ATOM 0 HB2 SER A 687 31.352 -1.937 -30.890 1.00 1.00 H new ATOM 0 HB3 SER A 687 30.942 -1.410 -32.510 1.00 1.00 H new ATOM 0 HG SER A 687 29.809 -3.691 -31.163 1.00 1.00 H new ATOM 43 N PRO A 688 33.498 -4.983 -31.581 1.00 1.00 N ATOM 44 CA PRO A 688 34.043 -5.949 -30.586 1.00 1.00 C ATOM 45 C PRO A 688 34.476 -5.250 -29.300 1.00 1.00 C ATOM 46 O PRO A 688 34.973 -4.125 -29.333 1.00 1.00 O ATOM 47 CB PRO A 688 35.258 -6.575 -31.283 1.00 1.00 C ATOM 48 CG PRO A 688 35.138 -6.233 -32.733 1.00 1.00 C ATOM 49 CD PRO A 688 34.270 -4.977 -32.828 1.00 1.00 C ATOM 0 HA PRO A 688 33.295 -6.685 -30.291 1.00 1.00 H new ATOM 0 HB2 PRO A 688 36.187 -6.185 -30.868 1.00 1.00 H new ATOM 0 HB3 PRO A 688 35.274 -7.655 -31.139 1.00 1.00 H new ATOM 0 HG2 PRO A 688 36.121 -6.056 -33.170 1.00 1.00 H new ATOM 0 HG3 PRO A 688 34.687 -7.056 -33.287 1.00 1.00 H new ATOM 0 HD2 PRO A 688 34.879 -4.077 -32.916 1.00 1.00 H new ATOM 0 HD3 PRO A 688 33.618 -5.008 -33.701 1.00 1.00 H new ATOM 57 N LYS A 689 34.292 -5.932 -28.173 1.00 1.00 N ATOM 58 CA LYS A 689 34.672 -5.376 -26.878 1.00 1.00 C ATOM 59 C LYS A 689 35.587 -6.345 -26.134 1.00 1.00 C ATOM 60 O LYS A 689 35.457 -7.563 -26.266 1.00 1.00 O ATOM 61 CB LYS A 689 33.425 -5.091 -26.038 1.00 1.00 C ATOM 62 CG LYS A 689 32.632 -3.936 -26.663 1.00 1.00 C ATOM 63 CD LYS A 689 31.361 -3.692 -25.847 1.00 1.00 C ATOM 64 CE LYS A 689 30.507 -2.615 -26.520 1.00 1.00 C ATOM 65 NZ LYS A 689 31.258 -1.327 -26.560 1.00 1.00 N ATOM 0 H LYS A 689 33.884 -6.866 -28.130 1.00 1.00 H new ATOM 0 HA LYS A 689 35.208 -4.442 -27.046 1.00 1.00 H new ATOM 0 HB2 LYS A 689 32.802 -5.983 -25.981 1.00 1.00 H new ATOM 0 HB3 LYS A 689 33.712 -4.837 -25.018 1.00 1.00 H new ATOM 0 HG2 LYS A 689 33.241 -3.033 -26.686 1.00 1.00 H new ATOM 0 HG3 LYS A 689 32.375 -4.174 -27.695 1.00 1.00 H new ATOM 0 HD2 LYS A 689 30.792 -4.617 -25.759 1.00 1.00 H new ATOM 0 HD3 LYS A 689 31.622 -3.381 -24.835 1.00 1.00 H new ATOM 0 HE2 LYS A 689 30.245 -2.925 -27.531 1.00 1.00 H new ATOM 0 HE3 LYS A 689 29.573 -2.485 -25.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 30.602 -0.549 -26.777 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 31.704 -1.156 -25.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 31.992 -1.376 -27.295 1.00 1.00 H new ATOM 79 N GLY A 690 36.519 -5.798 -25.358 1.00 1.00 N ATOM 80 CA GLY A 690 37.455 -6.624 -24.600 1.00 1.00 C ATOM 81 C GLY A 690 36.713 -7.589 -23.685 1.00 1.00 C ATOM 82 O GLY A 690 35.509 -7.801 -23.835 1.00 1.00 O ATOM 0 H GLY A 690 36.646 -4.793 -25.238 1.00 1.00 H new ATOM 0 HA2 GLY A 690 38.090 -7.184 -25.287 1.00 1.00 H new ATOM 0 HA3 GLY A 690 38.111 -5.986 -24.007 1.00 1.00 H new ATOM 86 N PRO A 691 37.404 -8.177 -22.744 1.00 1.00 N ATOM 87 CA PRO A 691 36.790 -9.144 -21.792 1.00 1.00 C ATOM 88 C PRO A 691 35.670 -8.501 -20.982 1.00 1.00 C ATOM 89 O PRO A 691 35.744 -7.324 -20.625 1.00 1.00 O ATOM 90 CB PRO A 691 37.949 -9.572 -20.882 1.00 1.00 C ATOM 91 CG PRO A 691 39.203 -9.171 -21.593 1.00 1.00 C ATOM 92 CD PRO A 691 38.838 -7.988 -22.487 1.00 1.00 C ATOM 0 HA PRO A 691 36.330 -9.986 -22.308 1.00 1.00 H new ATOM 0 HB2 PRO A 691 37.880 -9.086 -19.909 1.00 1.00 H new ATOM 0 HB3 PRO A 691 37.928 -10.647 -20.704 1.00 1.00 H new ATOM 0 HG2 PRO A 691 39.980 -8.893 -20.881 1.00 1.00 H new ATOM 0 HG3 PRO A 691 39.594 -9.998 -22.185 1.00 1.00 H new ATOM 0 HD2 PRO A 691 39.034 -7.037 -21.993 1.00 1.00 H new ATOM 0 HD3 PRO A 691 39.415 -7.992 -23.412 1.00 1.00 H new ATOM 100 N ASP A 692 34.631 -9.282 -20.705 1.00 1.00 N ATOM 101 CA ASP A 692 33.491 -8.787 -19.942 1.00 1.00 C ATOM 102 C ASP A 692 33.460 -9.409 -18.555 1.00 1.00 C ATOM 103 O ASP A 692 32.879 -8.846 -17.627 1.00 1.00 O ATOM 104 CB ASP A 692 32.193 -9.119 -20.675 1.00 1.00 C ATOM 105 CG ASP A 692 32.045 -8.233 -21.905 1.00 1.00 C ATOM 106 OD1 ASP A 692 32.823 -7.302 -22.038 1.00 1.00 O ATOM 107 OD2 ASP A 692 31.154 -8.495 -22.696 1.00 1.00 O ATOM 0 H ASP A 692 34.555 -10.257 -20.996 1.00 1.00 H new ATOM 0 HA ASP A 692 33.590 -7.706 -19.840 1.00 1.00 H new ATOM 0 HB2 ASP A 692 32.191 -10.168 -20.971 1.00 1.00 H new ATOM 0 HB3 ASP A 692 31.343 -8.974 -20.009 1.00 1.00 H new ATOM 112 N ILE A 693 34.118 -10.549 -18.406 1.00 1.00 N ATOM 113 CA ILE A 693 34.189 -11.208 -17.114 1.00 1.00 C ATOM 114 C ILE A 693 34.987 -10.320 -16.163 1.00 1.00 C ATOM 115 O ILE A 693 34.644 -10.185 -14.988 1.00 1.00 O ATOM 116 CB ILE A 693 34.854 -12.576 -17.264 1.00 1.00 C ATOM 117 CG1 ILE A 693 34.770 -13.333 -15.934 1.00 1.00 C ATOM 118 CG2 ILE A 693 36.318 -12.394 -17.669 1.00 1.00 C ATOM 119 CD1 ILE A 693 35.122 -14.804 -16.157 1.00 1.00 C ATOM 0 H ILE A 693 34.607 -11.033 -19.159 1.00 1.00 H new ATOM 0 HA ILE A 693 33.188 -11.363 -16.712 1.00 1.00 H new ATOM 0 HB ILE A 693 34.340 -13.149 -18.036 1.00 1.00 H new ATOM 0 HG12 ILE A 693 35.453 -12.891 -15.209 1.00 1.00 H new ATOM 0 HG13 ILE A 693 33.766 -13.248 -15.519 1.00 1.00 H new ATOM 0 HG21 ILE A 693 36.790 -13.371 -17.775 1.00 1.00 H new ATOM 0 HG22 ILE A 693 36.369 -11.861 -18.618 1.00 1.00 H new ATOM 0 HG23 ILE A 693 36.839 -11.821 -16.902 1.00 1.00 H new ATOM 0 HD11 ILE A 693 35.062 -15.340 -15.210 1.00 1.00 H new ATOM 0 HD12 ILE A 693 34.421 -15.242 -16.867 1.00 1.00 H new ATOM 0 HD13 ILE A 693 36.135 -14.880 -16.553 1.00 1.00 H new ATOM 131 N LEU A 694 36.055 -9.727 -16.682 1.00 1.00 N ATOM 132 CA LEU A 694 36.908 -8.860 -15.872 1.00 1.00 C ATOM 133 C LEU A 694 36.142 -7.643 -15.355 1.00 1.00 C ATOM 134 O LEU A 694 36.307 -7.253 -14.202 1.00 1.00 O ATOM 135 CB LEU A 694 38.120 -8.394 -16.689 1.00 1.00 C ATOM 136 CG LEU A 694 39.096 -9.564 -16.900 1.00 1.00 C ATOM 137 CD1 LEU A 694 40.222 -9.135 -17.844 1.00 1.00 C ATOM 138 CD2 LEU A 694 39.706 -9.995 -15.560 1.00 1.00 C ATOM 0 H LEU A 694 36.351 -9.828 -17.653 1.00 1.00 H new ATOM 0 HA LEU A 694 37.246 -9.441 -15.014 1.00 1.00 H new ATOM 0 HB2 LEU A 694 37.791 -8.006 -17.653 1.00 1.00 H new ATOM 0 HB3 LEU A 694 38.625 -7.578 -16.172 1.00 1.00 H new ATOM 0 HG LEU A 694 38.547 -10.400 -17.333 1.00 1.00 H new ATOM 0 HD11 LEU A 694 40.911 -9.967 -17.990 1.00 1.00 H new ATOM 0 HD12 LEU A 694 39.799 -8.841 -18.805 1.00 1.00 H new ATOM 0 HD13 LEU A 694 40.759 -8.291 -17.410 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.395 -10.824 -15.724 1.00 1.00 H new ATOM 0 HD22 LEU A 694 40.245 -9.157 -15.119 1.00 1.00 H new ATOM 0 HD23 LEU A 694 38.912 -10.311 -14.884 1.00 1.00 H new ATOM 150 N VAL A 695 35.306 -7.047 -16.198 1.00 1.00 N ATOM 151 CA VAL A 695 34.531 -5.879 -15.787 1.00 1.00 C ATOM 152 C VAL A 695 33.595 -6.235 -14.639 1.00 1.00 C ATOM 153 O VAL A 695 33.452 -5.481 -13.674 1.00 1.00 O ATOM 154 CB VAL A 695 33.712 -5.348 -16.964 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.752 -4.266 -16.464 1.00 1.00 C ATOM 156 CG2 VAL A 695 34.652 -4.753 -18.013 1.00 1.00 C ATOM 0 H VAL A 695 35.147 -7.348 -17.160 1.00 1.00 H new ATOM 0 HA VAL A 695 35.226 -5.109 -15.453 1.00 1.00 H new ATOM 0 HB VAL A 695 33.143 -6.163 -17.411 1.00 1.00 H new ATOM 0 HG11 VAL A 695 32.166 -3.885 -17.300 1.00 1.00 H new ATOM 0 HG12 VAL A 695 32.083 -4.691 -15.716 1.00 1.00 H new ATOM 0 HG13 VAL A 695 33.323 -3.451 -16.019 1.00 1.00 H new ATOM 0 HG21 VAL A 695 34.068 -4.375 -18.852 1.00 1.00 H new ATOM 0 HG22 VAL A 695 35.222 -3.936 -17.570 1.00 1.00 H new ATOM 0 HG23 VAL A 695 35.337 -5.523 -18.366 1.00 1.00 H new ATOM 166 N VAL A 696 32.952 -7.387 -14.765 1.00 1.00 N ATOM 167 CA VAL A 696 32.006 -7.863 -13.764 1.00 1.00 C ATOM 168 C VAL A 696 32.692 -8.239 -12.455 1.00 1.00 C ATOM 169 O VAL A 696 32.216 -7.880 -11.379 1.00 1.00 O ATOM 170 CB VAL A 696 31.275 -9.076 -14.329 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.417 -9.724 -13.243 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.391 -8.616 -15.489 1.00 1.00 C ATOM 0 H VAL A 696 33.070 -8.016 -15.559 1.00 1.00 H new ATOM 0 HA VAL A 696 31.308 -7.057 -13.540 1.00 1.00 H new ATOM 0 HB VAL A 696 31.997 -9.812 -14.682 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.899 -10.589 -13.657 1.00 1.00 H new ATOM 0 HG12 VAL A 696 31.054 -10.043 -12.418 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.685 -9.003 -12.879 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.861 -9.473 -15.904 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.669 -7.883 -15.128 1.00 1.00 H new ATOM 0 HG23 VAL A 696 31.012 -8.164 -16.262 1.00 1.00 H new ATOM 182 N LEU A 697 33.805 -8.951 -12.541 1.00 1.00 N ATOM 183 CA LEU A 697 34.514 -9.339 -11.332 1.00 1.00 C ATOM 184 C LEU A 697 34.977 -8.090 -10.590 1.00 1.00 C ATOM 185 O LEU A 697 34.853 -8.007 -9.368 1.00 1.00 O ATOM 186 CB LEU A 697 35.714 -10.217 -11.698 1.00 1.00 C ATOM 187 CG LEU A 697 36.492 -10.622 -10.442 1.00 1.00 C ATOM 188 CD1 LEU A 697 35.581 -11.399 -9.485 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.666 -11.509 -10.856 1.00 1.00 C ATOM 0 H LEU A 697 34.229 -9.266 -13.414 1.00 1.00 H new ATOM 0 HA LEU A 697 33.848 -9.908 -10.684 1.00 1.00 H new ATOM 0 HB2 LEU A 697 35.372 -11.109 -12.223 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.371 -9.678 -12.380 1.00 1.00 H new ATOM 0 HG LEU A 697 36.855 -9.728 -9.935 1.00 1.00 H new ATOM 0 HD11 LEU A 697 36.144 -11.682 -8.596 1.00 1.00 H new ATOM 0 HD12 LEU A 697 34.738 -10.772 -9.196 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.212 -12.296 -9.982 1.00 1.00 H new ATOM 0 HD21 LEU A 697 38.229 -11.805 -9.970 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.290 -12.399 -11.360 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.318 -10.957 -11.533 1.00 1.00 H new ATOM 201 N LEU A 698 35.508 -7.118 -11.324 1.00 1.00 N ATOM 202 CA LEU A 698 35.974 -5.887 -10.700 1.00 1.00 C ATOM 203 C LEU A 698 34.805 -5.148 -10.056 1.00 1.00 C ATOM 204 O LEU A 698 34.920 -4.634 -8.944 1.00 1.00 O ATOM 205 CB LEU A 698 36.642 -4.984 -11.745 1.00 1.00 C ATOM 206 CG LEU A 698 37.972 -5.603 -12.201 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.542 -4.784 -13.362 1.00 1.00 C ATOM 208 CD2 LEU A 698 38.981 -5.614 -11.046 1.00 1.00 C ATOM 0 H LEU A 698 35.625 -7.157 -12.336 1.00 1.00 H new ATOM 0 HA LEU A 698 36.703 -6.142 -9.930 1.00 1.00 H new ATOM 0 HB2 LEU A 698 35.980 -4.853 -12.601 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.818 -3.994 -11.323 1.00 1.00 H new ATOM 0 HG LEU A 698 37.791 -6.629 -12.522 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.486 -5.222 -13.687 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.835 -4.788 -14.192 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.711 -3.758 -13.035 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.918 -6.056 -11.386 1.00 1.00 H new ATOM 0 HD22 LEU A 698 39.162 -4.593 -10.711 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.581 -6.202 -10.219 1.00 1.00 H new ATOM 220 N SER A 699 33.681 -5.102 -10.764 1.00 1.00 N ATOM 221 CA SER A 699 32.503 -4.416 -10.240 1.00 1.00 C ATOM 222 C SER A 699 32.074 -5.028 -8.907 1.00 1.00 C ATOM 223 O SER A 699 31.796 -4.306 -7.949 1.00 1.00 O ATOM 224 CB SER A 699 31.353 -4.513 -11.240 1.00 1.00 C ATOM 225 OG SER A 699 31.724 -3.858 -12.446 1.00 1.00 O ATOM 0 H SER A 699 33.560 -5.523 -11.685 1.00 1.00 H new ATOM 0 HA SER A 699 32.758 -3.368 -10.081 1.00 1.00 H new ATOM 0 HB2 SER A 699 31.115 -5.558 -11.438 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.455 -4.055 -10.825 1.00 1.00 H new ATOM 0 HG SER A 699 32.525 -4.284 -12.816 1.00 1.00 H new ATOM 231 N VAL A 700 32.029 -6.355 -8.842 1.00 1.00 N ATOM 232 CA VAL A 700 31.640 -7.024 -7.605 1.00 1.00 C ATOM 233 C VAL A 700 32.664 -6.729 -6.509 1.00 1.00 C ATOM 234 O VAL A 700 32.299 -6.438 -5.370 1.00 1.00 O ATOM 235 CB VAL A 700 31.523 -8.531 -7.824 1.00 1.00 C ATOM 236 CG1 VAL A 700 31.296 -9.220 -6.477 1.00 1.00 C ATOM 237 CG2 VAL A 700 30.334 -8.817 -8.747 1.00 1.00 C ATOM 0 H VAL A 700 32.253 -6.980 -9.617 1.00 1.00 H new ATOM 0 HA VAL A 700 30.667 -6.644 -7.295 1.00 1.00 H new ATOM 0 HB VAL A 700 32.439 -8.909 -8.279 1.00 1.00 H new ATOM 0 HG11 VAL A 700 31.212 -10.296 -6.628 1.00 1.00 H new ATOM 0 HG12 VAL A 700 32.137 -9.011 -5.815 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.378 -8.844 -6.026 1.00 1.00 H new ATOM 0 HG21 VAL A 700 30.247 -9.892 -8.906 1.00 1.00 H new ATOM 0 HG22 VAL A 700 29.419 -8.443 -8.288 1.00 1.00 H new ATOM 0 HG23 VAL A 700 30.489 -8.320 -9.705 1.00 1.00 H new ATOM 247 N MET A 701 33.944 -6.810 -6.852 1.00 1.00 N ATOM 248 CA MET A 701 34.993 -6.547 -5.873 1.00 1.00 C ATOM 249 C MET A 701 34.909 -5.111 -5.372 1.00 1.00 C ATOM 250 O MET A 701 35.137 -4.839 -4.193 1.00 1.00 O ATOM 251 CB MET A 701 36.371 -6.783 -6.494 1.00 1.00 C ATOM 252 CG MET A 701 36.631 -8.285 -6.603 1.00 1.00 C ATOM 253 SD MET A 701 38.176 -8.566 -7.504 1.00 1.00 S ATOM 254 CE MET A 701 39.293 -7.799 -6.304 1.00 1.00 C ATOM 0 H MET A 701 34.278 -7.052 -7.785 1.00 1.00 H new ATOM 0 HA MET A 701 34.851 -7.229 -5.034 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.421 -6.322 -7.481 1.00 1.00 H new ATOM 0 HB3 MET A 701 37.142 -6.313 -5.883 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.692 -8.728 -5.609 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.803 -8.772 -7.119 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.291 -8.225 -6.411 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.336 -6.725 -6.482 1.00 1.00 H new ATOM 0 HE3 MET A 701 38.926 -7.985 -5.295 1.00 1.00 H new ATOM 264 N GLY A 702 34.570 -4.195 -6.273 1.00 1.00 N ATOM 265 CA GLY A 702 34.449 -2.793 -5.900 1.00 1.00 C ATOM 266 C GLY A 702 33.343 -2.607 -4.865 1.00 1.00 C ATOM 267 O GLY A 702 33.508 -1.883 -3.884 1.00 1.00 O ATOM 0 H GLY A 702 34.377 -4.396 -7.254 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.396 -2.435 -5.496 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.232 -2.193 -6.784 1.00 1.00 H new ATOM 271 N ALA A 703 32.204 -3.254 -5.110 1.00 1.00 N ATOM 272 CA ALA A 703 31.058 -3.143 -4.211 1.00 1.00 C ATOM 273 C ALA A 703 31.422 -3.570 -2.795 1.00 1.00 C ATOM 274 O ALA A 703 31.026 -2.927 -1.822 1.00 1.00 O ATOM 275 CB ALA A 703 29.913 -4.018 -4.721 1.00 1.00 C ATOM 0 H ALA A 703 32.051 -3.857 -5.919 1.00 1.00 H new ATOM 0 HA ALA A 703 30.749 -2.098 -4.189 1.00 1.00 H new ATOM 0 HB1 ALA A 703 29.061 -3.932 -4.047 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.621 -3.690 -5.719 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.239 -5.057 -4.762 1.00 1.00 H new ATOM 281 N ILE A 704 32.173 -4.658 -2.686 1.00 1.00 N ATOM 282 CA ILE A 704 32.573 -5.151 -1.374 1.00 1.00 C ATOM 283 C ILE A 704 33.453 -4.125 -0.669 1.00 1.00 C ATOM 284 O ILE A 704 33.302 -3.874 0.522 1.00 1.00 O ATOM 285 CB ILE A 704 33.348 -6.460 -1.518 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.406 -7.561 -2.015 1.00 1.00 C ATOM 287 CG2 ILE A 704 33.929 -6.856 -0.159 1.00 1.00 C ATOM 288 CD1 ILE A 704 33.225 -8.785 -2.430 1.00 1.00 C ATOM 0 H ILE A 704 32.513 -5.208 -3.475 1.00 1.00 H new ATOM 0 HA ILE A 704 31.673 -5.323 -0.783 1.00 1.00 H new ATOM 0 HB ILE A 704 34.158 -6.328 -2.236 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.700 -7.832 -1.230 1.00 1.00 H new ATOM 0 HG13 ILE A 704 31.820 -7.199 -2.860 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.483 -7.790 -0.258 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.600 -6.072 0.192 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.119 -6.989 0.558 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.555 -9.568 -2.784 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.913 -8.508 -3.229 1.00 1.00 H new ATOM 0 HD13 ILE A 704 33.791 -9.151 -1.574 1.00 1.00 H new ATOM 300 N LEU A 705 34.388 -3.559 -1.412 1.00 1.00 N ATOM 301 CA LEU A 705 35.308 -2.582 -0.849 1.00 1.00 C ATOM 302 C LEU A 705 34.586 -1.320 -0.377 1.00 1.00 C ATOM 303 O LEU A 705 34.888 -0.790 0.692 1.00 1.00 O ATOM 304 CB LEU A 705 36.349 -2.211 -1.904 1.00 1.00 C ATOM 305 CG LEU A 705 37.381 -3.340 -2.014 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.230 -3.132 -3.266 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.292 -3.358 -0.778 1.00 1.00 C ATOM 0 H LEU A 705 34.531 -3.757 -2.402 1.00 1.00 H new ATOM 0 HA LEU A 705 35.787 -3.031 0.021 1.00 1.00 H new ATOM 0 HB2 LEU A 705 35.866 -2.049 -2.867 1.00 1.00 H new ATOM 0 HB3 LEU A 705 36.842 -1.277 -1.633 1.00 1.00 H new ATOM 0 HG LEU A 705 36.854 -4.292 -2.077 1.00 1.00 H new ATOM 0 HD11 LEU A 705 38.964 -3.934 -3.345 1.00 1.00 H new ATOM 0 HD12 LEU A 705 37.588 -3.140 -4.147 1.00 1.00 H new ATOM 0 HD13 LEU A 705 38.745 -2.174 -3.201 1.00 1.00 H new ATOM 0 HD21 LEU A 705 39.018 -4.165 -0.873 1.00 1.00 H new ATOM 0 HD22 LEU A 705 38.816 -2.406 -0.699 1.00 1.00 H new ATOM 0 HD23 LEU A 705 37.689 -3.516 0.116 1.00 1.00 H new ATOM 319 N LEU A 706 33.647 -0.824 -1.181 1.00 1.00 N ATOM 320 CA LEU A 706 32.917 0.392 -0.833 1.00 1.00 C ATOM 321 C LEU A 706 32.056 0.212 0.418 1.00 1.00 C ATOM 322 O LEU A 706 32.007 1.101 1.270 1.00 1.00 O ATOM 323 CB LEU A 706 32.025 0.814 -2.005 1.00 1.00 C ATOM 324 CG LEU A 706 32.894 1.253 -3.193 1.00 1.00 C ATOM 325 CD1 LEU A 706 32.004 1.483 -4.418 1.00 1.00 C ATOM 326 CD2 LEU A 706 33.641 2.553 -2.862 1.00 1.00 C ATOM 0 H LEU A 706 33.376 -1.242 -2.071 1.00 1.00 H new ATOM 0 HA LEU A 706 33.656 1.165 -0.621 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.382 -0.015 -2.301 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.371 1.631 -1.700 1.00 1.00 H new ATOM 0 HG LEU A 706 33.622 0.469 -3.402 1.00 1.00 H new ATOM 0 HD11 LEU A 706 32.620 1.795 -5.262 1.00 1.00 H new ATOM 0 HD12 LEU A 706 31.485 0.558 -4.670 1.00 1.00 H new ATOM 0 HD13 LEU A 706 31.273 2.260 -4.196 1.00 1.00 H new ATOM 0 HD21 LEU A 706 34.252 2.849 -3.715 1.00 1.00 H new ATOM 0 HD22 LEU A 706 32.920 3.340 -2.641 1.00 1.00 H new ATOM 0 HD23 LEU A 706 34.282 2.394 -1.995 1.00 1.00 H new ATOM 338 N ILE A 707 31.381 -0.931 0.542 1.00 1.00 N ATOM 339 CA ILE A 707 30.544 -1.164 1.718 1.00 1.00 C ATOM 340 C ILE A 707 31.408 -1.390 2.956 1.00 1.00 C ATOM 341 O ILE A 707 31.084 -0.911 4.042 1.00 1.00 O ATOM 342 CB ILE A 707 29.584 -2.349 1.498 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.330 -2.140 2.351 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.243 -3.667 1.909 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.319 -1.271 1.596 1.00 1.00 C ATOM 0 H ILE A 707 31.395 -1.691 -0.138 1.00 1.00 H new ATOM 0 HA ILE A 707 29.938 -0.273 1.878 1.00 1.00 H new ATOM 0 HB ILE A 707 29.328 -2.397 0.440 1.00 1.00 H new ATOM 0 HG12 ILE A 707 27.882 -3.103 2.596 1.00 1.00 H new ATOM 0 HG13 ILE A 707 28.598 -1.664 3.294 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.546 -4.489 1.745 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.140 -3.827 1.311 1.00 1.00 H new ATOM 0 HG23 ILE A 707 30.513 -3.625 2.964 1.00 1.00 H new ATOM 0 HD11 ILE A 707 26.431 -1.128 2.211 1.00 1.00 H new ATOM 0 HD12 ILE A 707 27.766 -0.302 1.374 1.00 1.00 H new ATOM 0 HD13 ILE A 707 27.040 -1.764 0.665 1.00 1.00 H new ATOM 357 N GLY A 708 32.503 -2.120 2.786 1.00 1.00 N ATOM 358 CA GLY A 708 33.390 -2.387 3.912 1.00 1.00 C ATOM 359 C GLY A 708 33.911 -1.081 4.510 1.00 1.00 C ATOM 360 O GLY A 708 33.956 -0.920 5.730 1.00 1.00 O ATOM 0 H GLY A 708 32.795 -2.531 1.899 1.00 1.00 H new ATOM 0 HA2 GLY A 708 32.857 -2.955 4.675 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.228 -3.002 3.584 1.00 1.00 H new ATOM 364 N LEU A 709 34.302 -0.148 3.645 1.00 1.00 N ATOM 365 CA LEU A 709 34.815 1.142 4.106 1.00 1.00 C ATOM 366 C LEU A 709 33.735 1.905 4.873 1.00 1.00 C ATOM 367 O LEU A 709 34.003 2.492 5.921 1.00 1.00 O ATOM 368 CB LEU A 709 35.274 1.973 2.898 1.00 1.00 C ATOM 369 CG LEU A 709 35.830 3.334 3.348 1.00 1.00 C ATOM 370 CD1 LEU A 709 37.033 3.134 4.275 1.00 1.00 C ATOM 371 CD2 LEU A 709 36.276 4.123 2.115 1.00 1.00 C ATOM 0 H LEU A 709 34.275 -0.258 2.631 1.00 1.00 H new ATOM 0 HA LEU A 709 35.659 0.966 4.773 1.00 1.00 H new ATOM 0 HB2 LEU A 709 36.039 1.428 2.346 1.00 1.00 H new ATOM 0 HB3 LEU A 709 34.437 2.125 2.217 1.00 1.00 H new ATOM 0 HG LEU A 709 35.052 3.878 3.884 1.00 1.00 H new ATOM 0 HD11 LEU A 709 37.418 4.105 4.587 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.725 2.567 5.153 1.00 1.00 H new ATOM 0 HD13 LEU A 709 37.814 2.588 3.745 1.00 1.00 H new ATOM 0 HD21 LEU A 709 36.672 5.090 2.425 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.050 3.566 1.587 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.424 4.275 1.453 1.00 1.00 H new ATOM 383 N ALA A 710 32.521 1.909 4.334 1.00 1.00 N ATOM 384 CA ALA A 710 31.424 2.622 4.984 1.00 1.00 C ATOM 385 C ALA A 710 31.192 2.088 6.393 1.00 1.00 C ATOM 386 O ALA A 710 30.952 2.853 7.329 1.00 1.00 O ATOM 387 CB ALA A 710 30.145 2.462 4.164 1.00 1.00 C ATOM 0 H ALA A 710 32.272 1.436 3.465 1.00 1.00 H new ATOM 0 HA ALA A 710 31.691 3.677 5.048 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.330 2.996 4.653 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.299 2.871 3.166 1.00 1.00 H new ATOM 0 HB3 ALA A 710 29.892 1.405 4.087 1.00 1.00 H new ATOM 393 N ALA A 711 31.270 0.773 6.537 1.00 1.00 N ATOM 394 CA ALA A 711 31.065 0.161 7.843 1.00 1.00 C ATOM 395 C ALA A 711 32.144 0.629 8.809 1.00 1.00 C ATOM 396 O ALA A 711 31.872 0.884 9.981 1.00 1.00 O ATOM 397 CB ALA A 711 31.114 -1.363 7.723 1.00 1.00 C ATOM 0 H ALA A 711 31.470 0.118 5.781 1.00 1.00 H new ATOM 0 HA ALA A 711 30.087 0.459 8.220 1.00 1.00 H new ATOM 0 HB1 ALA A 711 30.960 -1.810 8.705 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.331 -1.700 7.044 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.086 -1.666 7.335 1.00 1.00 H new ATOM 403 N LEU A 712 33.371 0.723 8.307 1.00 1.00 N ATOM 404 CA LEU A 712 34.498 1.141 9.133 1.00 1.00 C ATOM 405 C LEU A 712 34.324 2.558 9.663 1.00 1.00 C ATOM 406 O LEU A 712 34.557 2.813 10.845 1.00 1.00 O ATOM 407 CB LEU A 712 35.789 1.060 8.315 1.00 1.00 C ATOM 408 CG LEU A 712 36.156 -0.410 8.084 1.00 1.00 C ATOM 409 CD1 LEU A 712 37.297 -0.504 7.072 1.00 1.00 C ATOM 410 CD2 LEU A 712 36.594 -1.061 9.405 1.00 1.00 C ATOM 0 H LEU A 712 33.610 0.517 7.337 1.00 1.00 H new ATOM 0 HA LEU A 712 34.547 0.469 9.989 1.00 1.00 H new ATOM 0 HB2 LEU A 712 35.659 1.568 7.359 1.00 1.00 H new ATOM 0 HB3 LEU A 712 36.597 1.570 8.840 1.00 1.00 H new ATOM 0 HG LEU A 712 35.281 -0.934 7.699 1.00 1.00 H new ATOM 0 HD11 LEU A 712 37.555 -1.551 6.911 1.00 1.00 H new ATOM 0 HD12 LEU A 712 36.984 -0.058 6.128 1.00 1.00 H new ATOM 0 HD13 LEU A 712 38.167 0.029 7.454 1.00 1.00 H new ATOM 0 HD21 LEU A 712 36.852 -2.105 9.228 1.00 1.00 H new ATOM 0 HD22 LEU A 712 37.463 -0.534 9.800 1.00 1.00 H new ATOM 0 HD23 LEU A 712 35.778 -1.006 10.126 1.00 1.00 H new ATOM 422 N LEU A 713 33.894 3.478 8.810 1.00 1.00 N ATOM 423 CA LEU A 713 33.685 4.845 9.262 1.00 1.00 C ATOM 424 C LEU A 713 32.491 4.919 10.205 1.00 1.00 C ATOM 425 O LEU A 713 32.512 5.652 11.189 1.00 1.00 O ATOM 426 CB LEU A 713 33.487 5.794 8.079 1.00 1.00 C ATOM 427 CG LEU A 713 34.849 6.265 7.558 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.671 5.068 7.075 1.00 1.00 C ATOM 429 CD2 LEU A 713 34.633 7.235 6.398 1.00 1.00 C ATOM 0 H LEU A 713 33.688 3.309 7.825 1.00 1.00 H new ATOM 0 HA LEU A 713 34.578 5.159 9.802 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.938 5.289 7.284 1.00 1.00 H new ATOM 0 HB3 LEU A 713 32.888 6.652 8.385 1.00 1.00 H new ATOM 0 HG LEU A 713 35.389 6.763 8.363 1.00 1.00 H new ATOM 0 HD11 LEU A 713 36.637 5.415 6.707 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.825 4.375 7.902 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.137 4.561 6.271 1.00 1.00 H new ATOM 0 HD21 LEU A 713 35.599 7.574 6.023 1.00 1.00 H new ATOM 0 HD22 LEU A 713 34.090 6.731 5.599 1.00 1.00 H new ATOM 0 HD23 LEU A 713 34.057 8.093 6.744 1.00 1.00 H new ATOM 441 N ILE A 714 31.457 4.148 9.907 1.00 1.00 N ATOM 442 CA ILE A 714 30.277 4.150 10.760 1.00 1.00 C ATOM 443 C ILE A 714 30.644 3.644 12.151 1.00 1.00 C ATOM 444 O ILE A 714 30.242 4.223 13.160 1.00 1.00 O ATOM 445 CB ILE A 714 29.182 3.267 10.165 1.00 1.00 C ATOM 446 CG1 ILE A 714 28.616 3.920 8.893 1.00 1.00 C ATOM 447 CG2 ILE A 714 28.072 3.079 11.201 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.513 4.931 9.242 1.00 1.00 C ATOM 0 H ILE A 714 31.408 3.526 9.100 1.00 1.00 H new ATOM 0 HA ILE A 714 29.903 5.171 10.831 1.00 1.00 H new ATOM 0 HB ILE A 714 29.598 2.295 9.900 1.00 1.00 H new ATOM 0 HG12 ILE A 714 29.417 4.422 8.350 1.00 1.00 H new ATOM 0 HG13 ILE A 714 28.215 3.152 8.232 1.00 1.00 H new ATOM 0 HG21 ILE A 714 27.287 2.449 10.783 1.00 1.00 H new ATOM 0 HG22 ILE A 714 28.482 2.603 12.092 1.00 1.00 H new ATOM 0 HG23 ILE A 714 27.655 4.050 11.468 1.00 1.00 H new ATOM 0 HD11 ILE A 714 27.128 5.380 8.326 1.00 1.00 H new ATOM 0 HD12 ILE A 714 26.704 4.421 9.764 1.00 1.00 H new ATOM 0 HD13 ILE A 714 27.924 5.711 9.883 1.00 1.00 H new ATOM 460 N TRP A 715 31.427 2.570 12.194 1.00 1.00 N ATOM 461 CA TRP A 715 31.860 2.010 13.468 1.00 1.00 C ATOM 462 C TRP A 715 32.560 3.110 14.266 1.00 1.00 C ATOM 463 O TRP A 715 32.312 3.294 15.457 1.00 1.00 O ATOM 464 CB TRP A 715 32.818 0.840 13.190 1.00 1.00 C ATOM 465 CG TRP A 715 33.264 0.159 14.453 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.782 0.389 15.701 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.274 -0.883 14.598 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.443 -0.433 16.594 1.00 1.00 N ATOM 469 CE2 TRP A 715 34.368 -1.237 15.964 1.00 1.00 C ATOM 470 CE3 TRP A 715 35.113 -1.548 13.683 1.00 1.00 C ATOM 471 CZ2 TRP A 715 35.261 -2.212 16.408 1.00 1.00 C ATOM 472 CZ3 TRP A 715 36.013 -2.532 14.127 1.00 1.00 C ATOM 473 CH2 TRP A 715 36.086 -2.863 15.487 1.00 1.00 C ATOM 0 H TRP A 715 31.771 2.075 11.371 1.00 1.00 H new ATOM 0 HA TRP A 715 31.012 1.639 14.044 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.325 0.115 12.543 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.691 1.208 12.650 1.00 1.00 H new ATOM 0 HD1 TRP A 715 32.008 1.099 15.955 1.00 1.00 H new ATOM 0 HE1 TRP A 715 33.267 -0.443 17.599 1.00 1.00 H new ATOM 0 HE3 TRP A 715 35.064 -1.300 12.633 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 35.315 -2.462 17.457 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 36.652 -3.036 13.417 1.00 1.00 H new ATOM 0 HH2 TRP A 715 36.779 -3.620 15.823 1.00 1.00 H new ATOM 484 N LYS A 716 33.435 3.841 13.594 1.00 1.00 N ATOM 485 CA LYS A 716 34.183 4.918 14.232 1.00 1.00 C ATOM 486 C LYS A 716 33.243 5.964 14.842 1.00 1.00 C ATOM 487 O LYS A 716 33.459 6.421 15.964 1.00 1.00 O ATOM 488 CB LYS A 716 35.110 5.546 13.165 1.00 1.00 C ATOM 489 CG LYS A 716 35.764 6.900 13.564 1.00 1.00 C ATOM 490 CD LYS A 716 36.916 6.764 14.584 1.00 1.00 C ATOM 491 CE LYS A 716 36.413 6.527 16.010 1.00 1.00 C ATOM 492 NZ LYS A 716 37.548 6.704 16.956 1.00 1.00 N ATOM 0 H LYS A 716 33.647 3.709 12.605 1.00 1.00 H new ATOM 0 HA LYS A 716 34.778 4.523 15.056 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.902 4.834 12.932 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.535 5.695 12.251 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.143 7.387 12.666 1.00 1.00 H new ATOM 0 HG3 LYS A 716 34.998 7.553 13.982 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.563 5.938 14.289 1.00 1.00 H new ATOM 0 HD3 LYS A 716 37.524 7.668 14.563 1.00 1.00 H new ATOM 0 HE2 LYS A 716 35.611 7.226 16.248 1.00 1.00 H new ATOM 0 HE3 LYS A 716 35.999 5.523 16.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 37.217 6.545 17.929 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 38.298 6.021 16.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 37.923 7.670 16.871 1.00 1.00 H new ATOM 506 N LEU A 717 32.207 6.344 14.101 1.00 1.00 N ATOM 507 CA LEU A 717 31.267 7.348 14.599 1.00 1.00 C ATOM 508 C LEU A 717 30.545 6.865 15.860 1.00 1.00 C ATOM 509 O LEU A 717 30.405 7.620 16.819 1.00 1.00 O ATOM 510 CB LEU A 717 30.237 7.705 13.514 1.00 1.00 C ATOM 511 CG LEU A 717 30.752 8.855 12.626 1.00 1.00 C ATOM 512 CD1 LEU A 717 31.906 8.380 11.741 1.00 1.00 C ATOM 513 CD2 LEU A 717 29.614 9.343 11.727 1.00 1.00 C ATOM 0 H LEU A 717 31.997 5.982 13.171 1.00 1.00 H new ATOM 0 HA LEU A 717 31.843 8.237 14.856 1.00 1.00 H new ATOM 0 HB2 LEU A 717 30.032 6.829 12.899 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.296 7.994 13.981 1.00 1.00 H new ATOM 0 HG LEU A 717 31.105 9.660 13.270 1.00 1.00 H new ATOM 0 HD11 LEU A 717 32.254 9.207 11.122 1.00 1.00 H new ATOM 0 HD12 LEU A 717 32.724 8.026 12.369 1.00 1.00 H new ATOM 0 HD13 LEU A 717 31.563 7.568 11.101 1.00 1.00 H new ATOM 0 HD21 LEU A 717 29.972 10.157 11.096 1.00 1.00 H new ATOM 0 HD22 LEU A 717 29.269 8.522 11.099 1.00 1.00 H new ATOM 0 HD23 LEU A 717 28.789 9.699 12.345 1.00 1.00 H new ATOM 525 N LEU A 718 30.118 5.608 15.874 1.00 1.00 N ATOM 526 CA LEU A 718 29.445 5.063 17.051 1.00 1.00 C ATOM 527 C LEU A 718 30.399 5.041 18.246 1.00 1.00 C ATOM 528 O LEU A 718 29.996 5.341 19.371 1.00 1.00 O ATOM 529 CB LEU A 718 28.926 3.647 16.770 1.00 1.00 C ATOM 530 CG LEU A 718 27.500 3.710 16.204 1.00 1.00 C ATOM 531 CD1 LEU A 718 27.502 4.458 14.871 1.00 1.00 C ATOM 532 CD2 LEU A 718 26.972 2.290 15.985 1.00 1.00 C ATOM 0 H LEU A 718 30.222 4.954 15.098 1.00 1.00 H new ATOM 0 HA LEU A 718 28.596 5.705 17.287 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.585 3.144 16.062 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.936 3.059 17.688 1.00 1.00 H new ATOM 0 HG LEU A 718 26.859 4.235 16.912 1.00 1.00 H new ATOM 0 HD11 LEU A 718 26.487 4.499 14.475 1.00 1.00 H new ATOM 0 HD12 LEU A 718 27.873 5.471 15.023 1.00 1.00 H new ATOM 0 HD13 LEU A 718 28.147 3.938 14.163 1.00 1.00 H new ATOM 0 HD21 LEU A 718 25.960 2.336 15.583 1.00 1.00 H new ATOM 0 HD22 LEU A 718 27.618 1.766 15.281 1.00 1.00 H new ATOM 0 HD23 LEU A 718 26.961 1.755 16.935 1.00 1.00 H new ATOM 544 N ILE A 719 31.655 4.678 18.004 1.00 1.00 N ATOM 545 CA ILE A 719 32.637 4.621 19.085 1.00 1.00 C ATOM 546 C ILE A 719 32.859 5.992 19.715 1.00 1.00 C ATOM 547 O ILE A 719 32.943 6.120 20.935 1.00 1.00 O ATOM 548 CB ILE A 719 33.976 4.091 18.566 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.837 2.614 18.195 1.00 1.00 C ATOM 550 CG2 ILE A 719 35.034 4.239 19.661 1.00 1.00 C ATOM 551 CD1 ILE A 719 35.071 2.162 17.409 1.00 1.00 C ATOM 0 H ILE A 719 32.014 4.422 17.084 1.00 1.00 H new ATOM 0 HA ILE A 719 32.240 3.947 19.844 1.00 1.00 H new ATOM 0 HB ILE A 719 34.273 4.659 17.684 1.00 1.00 H new ATOM 0 HG12 ILE A 719 33.727 2.011 19.097 1.00 1.00 H new ATOM 0 HG13 ILE A 719 32.938 2.462 17.598 1.00 1.00 H new ATOM 0 HG21 ILE A 719 35.990 3.863 19.297 1.00 1.00 H new ATOM 0 HG22 ILE A 719 35.136 5.291 19.929 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.731 3.669 20.539 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.969 1.109 17.146 1.00 1.00 H new ATOM 0 HD12 ILE A 719 35.161 2.756 16.500 1.00 1.00 H new ATOM 0 HD13 ILE A 719 35.962 2.299 18.021 1.00 1.00 H new ATOM 563 N THR A 720 32.946 7.013 18.873 1.00 1.00 N ATOM 564 CA THR A 720 33.150 8.376 19.351 1.00 1.00 C ATOM 565 C THR A 720 31.984 8.827 20.231 1.00 1.00 C ATOM 566 O THR A 720 32.177 9.495 21.244 1.00 1.00 O ATOM 567 CB THR A 720 33.303 9.329 18.163 1.00 1.00 C ATOM 568 OG1 THR A 720 34.274 8.815 17.264 1.00 1.00 O ATOM 569 CG2 THR A 720 33.744 10.701 18.666 1.00 1.00 C ATOM 0 H THR A 720 32.879 6.925 17.859 1.00 1.00 H new ATOM 0 HA THR A 720 34.060 8.395 19.950 1.00 1.00 H new ATOM 0 HB THR A 720 32.348 9.423 17.646 1.00 1.00 H new ATOM 0 HG1 THR A 720 33.879 8.090 16.736 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.853 11.381 17.821 1.00 1.00 H new ATOM 0 HG22 THR A 720 32.995 11.094 19.353 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.699 10.609 19.183 1.00 1.00 H new ATOM 577 N ILE A 721 30.773 8.472 19.815 1.00 1.00 N ATOM 578 CA ILE A 721 29.548 8.845 20.523 1.00 1.00 C ATOM 579 C ILE A 721 29.445 8.248 21.924 1.00 1.00 C ATOM 580 O ILE A 721 29.031 8.936 22.858 1.00 1.00 O ATOM 581 CB ILE A 721 28.335 8.407 19.703 1.00 1.00 C ATOM 582 CG1 ILE A 721 28.214 9.281 18.435 1.00 1.00 C ATOM 583 CG2 ILE A 721 27.065 8.496 20.553 1.00 1.00 C ATOM 584 CD1 ILE A 721 27.916 10.753 18.780 1.00 1.00 C ATOM 0 H ILE A 721 30.610 7.916 18.975 1.00 1.00 H new ATOM 0 HA ILE A 721 29.576 9.928 20.642 1.00 1.00 H new ATOM 0 HB ILE A 721 28.465 7.370 19.394 1.00 1.00 H new ATOM 0 HG12 ILE A 721 29.140 9.222 17.863 1.00 1.00 H new ATOM 0 HG13 ILE A 721 27.421 8.889 17.798 1.00 1.00 H new ATOM 0 HG21 ILE A 721 26.207 8.182 19.959 1.00 1.00 H new ATOM 0 HG22 ILE A 721 27.163 7.845 21.422 1.00 1.00 H new ATOM 0 HG23 ILE A 721 26.920 9.524 20.884 1.00 1.00 H new ATOM 0 HD11 ILE A 721 27.839 11.334 17.861 1.00 1.00 H new ATOM 0 HD12 ILE A 721 26.976 10.815 19.329 1.00 1.00 H new ATOM 0 HD13 ILE A 721 28.722 11.153 19.395 1.00 1.00 H new ATOM 596 N HIS A 722 29.810 6.984 22.085 1.00 1.00 N ATOM 597 CA HIS A 722 29.728 6.369 23.405 1.00 1.00 C ATOM 598 C HIS A 722 30.478 7.232 24.417 1.00 1.00 C ATOM 599 O HIS A 722 29.968 7.521 25.500 1.00 1.00 O ATOM 600 CB HIS A 722 30.324 4.963 23.355 1.00 1.00 C ATOM 601 CG HIS A 722 29.369 4.040 22.645 1.00 1.00 C ATOM 602 ND1 HIS A 722 29.155 4.105 21.276 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.569 3.020 23.099 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.262 3.150 20.957 1.00 1.00 C ATOM 605 NE2 HIS A 722 27.873 2.459 22.031 1.00 1.00 N ATOM 0 H HIS A 722 30.157 6.377 21.342 1.00 1.00 H new ATOM 0 HA HIS A 722 28.684 6.295 23.711 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.283 4.981 22.837 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.514 4.601 24.365 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.595 4.759 20.628 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.491 2.701 24.128 1.00 1.00 H new ATOM 0 HE1 HIS A 722 27.904 2.965 19.955 1.00 1.00 H new ATOM 613 N ASP A 723 31.684 7.651 24.052 1.00 1.00 N ATOM 614 CA ASP A 723 32.487 8.496 24.931 1.00 1.00 C ATOM 615 C ASP A 723 33.530 9.262 24.118 1.00 1.00 C ATOM 616 O ASP A 723 33.765 8.947 22.951 1.00 1.00 O ATOM 617 CB ASP A 723 33.184 7.638 25.990 1.00 1.00 C ATOM 618 CG ASP A 723 34.159 6.673 25.323 1.00 1.00 C ATOM 619 OD1 ASP A 723 34.200 6.650 24.105 1.00 1.00 O ATOM 620 OD2 ASP A 723 34.848 5.972 26.042 1.00 1.00 O ATOM 0 H ASP A 723 32.125 7.422 23.161 1.00 1.00 H new ATOM 0 HA ASP A 723 31.829 9.210 25.426 1.00 1.00 H new ATOM 0 HB2 ASP A 723 33.717 8.277 26.694 1.00 1.00 H new ATOM 0 HB3 ASP A 723 32.443 7.081 26.563 1.00 1.00 H new ATOM 625 N ARG A 724 34.156 10.260 24.740 1.00 1.00 N ATOM 626 CA ARG A 724 35.177 11.054 24.058 1.00 1.00 C ATOM 627 C ARG A 724 36.430 11.173 24.922 1.00 1.00 C ATOM 628 O ARG A 724 36.345 11.284 26.145 1.00 1.00 O ATOM 629 CB ARG A 724 34.640 12.452 23.725 1.00 1.00 C ATOM 630 CG ARG A 724 33.518 12.337 22.687 1.00 1.00 C ATOM 631 CD ARG A 724 32.944 13.726 22.397 1.00 1.00 C ATOM 632 NE ARG A 724 33.970 14.574 21.803 1.00 1.00 N ATOM 633 CZ ARG A 724 33.757 15.869 21.581 1.00 1.00 C ATOM 634 NH1 ARG A 724 32.617 16.413 21.917 1.00 1.00 N ATOM 635 NH2 ARG A 724 34.689 16.597 21.033 1.00 1.00 N ATOM 0 H ARG A 724 33.977 10.536 25.705 1.00 1.00 H new ATOM 0 HA ARG A 724 35.436 10.546 23.129 1.00 1.00 H new ATOM 0 HB2 ARG A 724 34.266 12.934 24.628 1.00 1.00 H new ATOM 0 HB3 ARG A 724 35.444 13.079 23.339 1.00 1.00 H new ATOM 0 HG2 ARG A 724 33.902 11.892 21.769 1.00 1.00 H new ATOM 0 HG3 ARG A 724 32.733 11.678 23.057 1.00 1.00 H new ATOM 0 HD2 ARG A 724 32.093 13.643 21.721 1.00 1.00 H new ATOM 0 HD3 ARG A 724 32.577 14.177 23.319 1.00 1.00 H new ATOM 0 HE ARG A 724 34.871 14.166 21.552 1.00 1.00 H new ATOM 0 HH11 ARG A 724 31.889 15.845 22.350 1.00 1.00 H new ATOM 0 HH12 ARG A 724 32.456 17.406 21.746 1.00 1.00 H new ATOM 0 HH21 ARG A 724 35.581 16.174 20.775 1.00 1.00 H new ATOM 0 HH22 ARG A 724 34.527 17.589 20.862 1.00 1.00 H new ATOM 649 N LYS A 725 37.590 11.146 24.273 1.00 1.00 N ATOM 650 CA LYS A 725 38.864 11.247 24.983 1.00 1.00 C ATOM 651 C LYS A 725 39.780 12.249 24.287 1.00 1.00 C ATOM 652 O LYS A 725 39.756 12.376 23.062 1.00 1.00 O ATOM 653 CB LYS A 725 39.549 9.875 25.013 1.00 1.00 C ATOM 654 CG LYS A 725 38.712 8.896 25.842 1.00 1.00 C ATOM 655 CD LYS A 725 39.382 7.518 25.839 1.00 1.00 C ATOM 656 CE LYS A 725 38.575 6.548 26.705 1.00 1.00 C ATOM 657 NZ LYS A 725 37.183 6.452 26.185 1.00 1.00 N ATOM 0 H LYS A 725 37.676 11.055 23.261 1.00 1.00 H new ATOM 0 HA LYS A 725 38.670 11.586 26.001 1.00 1.00 H new ATOM 0 HB2 LYS A 725 39.669 9.496 23.998 1.00 1.00 H new ATOM 0 HB3 LYS A 725 40.548 9.966 25.440 1.00 1.00 H new ATOM 0 HG2 LYS A 725 38.613 9.261 26.864 1.00 1.00 H new ATOM 0 HG3 LYS A 725 37.705 8.823 25.430 1.00 1.00 H new ATOM 0 HD2 LYS A 725 39.451 7.139 24.819 1.00 1.00 H new ATOM 0 HD3 LYS A 725 40.401 7.598 26.219 1.00 1.00 H new ATOM 0 HE2 LYS A 725 39.044 5.564 26.700 1.00 1.00 H new ATOM 0 HE3 LYS A 725 38.564 6.891 27.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 36.692 5.662 26.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 36.677 7.339 26.382 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 37.207 6.287 25.158 1.00 1.00 H new ATOM 671 N GLU A 726 40.591 12.956 25.067 1.00 1.00 N ATOM 672 CA GLU A 726 41.513 13.937 24.502 1.00 1.00 C ATOM 673 C GLU A 726 42.584 13.243 23.662 1.00 1.00 C ATOM 674 O GLU A 726 42.985 13.747 22.611 1.00 1.00 O ATOM 675 CB GLU A 726 42.178 14.742 25.621 1.00 1.00 C ATOM 676 CG GLU A 726 41.134 15.636 26.295 1.00 1.00 C ATOM 677 CD GLU A 726 41.738 16.316 27.519 1.00 1.00 C ATOM 678 OE1 GLU A 726 42.924 16.146 27.743 1.00 1.00 O ATOM 679 OE2 GLU A 726 41.001 16.992 28.220 1.00 1.00 O ATOM 0 H GLU A 726 40.630 12.870 26.083 1.00 1.00 H new ATOM 0 HA GLU A 726 40.946 14.613 23.862 1.00 1.00 H new ATOM 0 HB2 GLU A 726 42.623 14.068 26.353 1.00 1.00 H new ATOM 0 HB3 GLU A 726 42.986 15.350 25.215 1.00 1.00 H new ATOM 0 HG2 GLU A 726 40.778 16.388 25.590 1.00 1.00 H new ATOM 0 HG3 GLU A 726 40.270 15.041 26.590 1.00 1.00 H new ATOM 686 N PHE A 727 43.043 12.086 24.135 1.00 1.00 N ATOM 687 CA PHE A 727 44.069 11.328 23.421 1.00 1.00 C ATOM 688 C PHE A 727 43.432 10.353 22.431 1.00 1.00 C ATOM 689 O PHE A 727 43.384 9.174 22.740 1.00 1.00 O ATOM 690 CB PHE A 727 44.933 10.549 24.418 1.00 1.00 C ATOM 691 CG PHE A 727 45.679 11.514 25.311 1.00 1.00 C ATOM 692 CD1 PHE A 727 46.858 12.122 24.860 1.00 1.00 C ATOM 693 CD2 PHE A 727 45.195 11.795 26.595 1.00 1.00 C ATOM 694 CE1 PHE A 727 47.549 13.015 25.692 1.00 1.00 C ATOM 695 CE2 PHE A 727 45.886 12.686 27.426 1.00 1.00 C ATOM 696 CZ PHE A 727 47.064 13.294 26.976 1.00 1.00 C ATOM 697 OXT PHE A 727 43.006 10.800 21.380 1.00 1.00 O ATOM 0 H PHE A 727 42.724 11.655 25.003 1.00 1.00 H new ATOM 0 HA PHE A 727 44.691 12.033 22.869 1.00 1.00 H new ATOM 0 HB2 PHE A 727 44.306 9.892 25.021 1.00 1.00 H new ATOM 0 HB3 PHE A 727 45.639 9.914 23.883 1.00 1.00 H new ATOM 0 HD1 PHE A 727 47.235 11.903 23.872 1.00 1.00 H new ATOM 0 HD2 PHE A 727 44.288 11.324 26.945 1.00 1.00 H new ATOM 0 HE1 PHE A 727 48.455 13.488 25.343 1.00 1.00 H new ATOM 0 HE2 PHE A 727 45.510 12.904 28.415 1.00 1.00 H new ATOM 0 HZ PHE A 727 47.599 13.978 27.619 1.00 1.00 H new TER 707 PHE A 727