USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=5 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 -18:sc= 0.396 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 82:sc= 1.26 USER MOD Single : A 701 MET CE :methyl 159:sc= -0.0513 (180deg=-0.525) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 80:sc= 0.639 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 725 LYS NZ :NH3+ -162:sc= -0.0269 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 6.085 7.168 -13.012 1.00 1.00 N ATOM 2 CA PRO A 685 5.280 8.418 -13.044 1.00 1.00 C ATOM 3 C PRO A 685 3.795 8.084 -12.993 1.00 1.00 C ATOM 4 O PRO A 685 3.018 8.783 -12.352 1.00 1.00 O ATOM 5 CB PRO A 685 5.607 9.156 -14.334 1.00 1.00 C ATOM 6 CG PRO A 685 6.873 8.527 -14.813 1.00 1.00 C ATOM 7 CD PRO A 685 6.895 7.093 -14.261 1.00 1.00 C ATOM 0 HA PRO A 685 5.518 9.043 -12.183 1.00 1.00 H new ATOM 0 HB2 PRO A 685 4.808 9.047 -15.067 1.00 1.00 H new ATOM 0 HB3 PRO A 685 5.736 10.224 -14.159 1.00 1.00 H new ATOM 0 HG2 PRO A 685 6.914 8.522 -15.902 1.00 1.00 H new ATOM 0 HG3 PRO A 685 7.740 9.089 -14.464 1.00 1.00 H new ATOM 0 HD2 PRO A 685 6.466 6.386 -14.972 1.00 1.00 H new ATOM 0 HD3 PRO A 685 7.913 6.761 -14.056 1.00 1.00 H new ATOM 17 N GLU A 686 3.406 7.013 -13.668 1.00 1.00 N ATOM 18 CA GLU A 686 2.008 6.614 -13.679 1.00 1.00 C ATOM 19 C GLU A 686 1.559 6.212 -12.272 1.00 1.00 C ATOM 20 O GLU A 686 0.463 6.563 -11.840 1.00 1.00 O ATOM 21 CB GLU A 686 1.811 5.453 -14.655 1.00 1.00 C ATOM 22 CG GLU A 686 2.515 4.207 -14.115 1.00 1.00 C ATOM 23 CD GLU A 686 2.532 3.112 -15.176 1.00 1.00 C ATOM 24 OE1 GLU A 686 1.875 3.285 -16.188 1.00 1.00 O ATOM 25 OE2 GLU A 686 3.196 2.113 -14.955 1.00 1.00 O ATOM 0 H GLU A 686 4.029 6.412 -14.208 1.00 1.00 H new ATOM 0 HA GLU A 686 1.399 7.457 -14.005 1.00 1.00 H new ATOM 0 HB2 GLU A 686 0.748 5.253 -14.789 1.00 1.00 H new ATOM 0 HB3 GLU A 686 2.212 5.715 -15.634 1.00 1.00 H new ATOM 0 HG2 GLU A 686 3.535 4.455 -13.821 1.00 1.00 H new ATOM 0 HG3 GLU A 686 2.004 3.850 -13.221 1.00 1.00 H new ATOM 32 N SER A 687 2.423 5.489 -11.558 1.00 1.00 N ATOM 33 CA SER A 687 2.113 5.059 -10.193 1.00 1.00 C ATOM 34 C SER A 687 3.341 4.458 -9.517 1.00 1.00 C ATOM 35 O SER A 687 3.278 3.356 -8.973 1.00 1.00 O ATOM 36 CB SER A 687 0.993 4.011 -10.189 1.00 1.00 C ATOM 37 OG SER A 687 -0.180 4.556 -10.777 1.00 1.00 O ATOM 0 H SER A 687 3.337 5.190 -11.899 1.00 1.00 H new ATOM 0 HA SER A 687 1.789 5.943 -9.644 1.00 1.00 H new ATOM 0 HB2 SER A 687 1.309 3.126 -10.741 1.00 1.00 H new ATOM 0 HB3 SER A 687 0.784 3.693 -9.168 1.00 1.00 H new ATOM 0 HG SER A 687 -0.118 5.534 -10.784 1.00 1.00 H new ATOM 43 N PRO A 688 4.444 5.151 -9.541 1.00 1.00 N ATOM 44 CA PRO A 688 5.707 4.671 -8.909 1.00 1.00 C ATOM 45 C PRO A 688 5.593 4.587 -7.389 1.00 1.00 C ATOM 46 O PRO A 688 4.884 5.378 -6.767 1.00 1.00 O ATOM 47 CB PRO A 688 6.745 5.716 -9.316 1.00 1.00 C ATOM 48 CG PRO A 688 5.962 6.946 -9.633 1.00 1.00 C ATOM 49 CD PRO A 688 4.612 6.470 -10.167 1.00 1.00 C ATOM 0 HA PRO A 688 5.964 3.663 -9.233 1.00 1.00 H new ATOM 0 HB2 PRO A 688 7.456 5.899 -8.510 1.00 1.00 H new ATOM 0 HB3 PRO A 688 7.321 5.383 -10.179 1.00 1.00 H new ATOM 0 HG2 PRO A 688 5.833 7.564 -8.745 1.00 1.00 H new ATOM 0 HG3 PRO A 688 6.480 7.556 -10.373 1.00 1.00 H new ATOM 0 HD2 PRO A 688 3.808 7.151 -9.890 1.00 1.00 H new ATOM 0 HD3 PRO A 688 4.612 6.401 -11.255 1.00 1.00 H new ATOM 57 N LYS A 689 6.292 3.624 -6.794 1.00 1.00 N ATOM 58 CA LYS A 689 6.251 3.451 -5.345 1.00 1.00 C ATOM 59 C LYS A 689 6.801 4.690 -4.639 1.00 1.00 C ATOM 60 O LYS A 689 6.241 5.146 -3.642 1.00 1.00 O ATOM 61 CB LYS A 689 7.075 2.228 -4.933 1.00 1.00 C ATOM 62 CG LYS A 689 6.470 0.955 -5.542 1.00 1.00 C ATOM 63 CD LYS A 689 7.275 -0.265 -5.088 1.00 1.00 C ATOM 64 CE LYS A 689 6.644 -1.539 -5.654 1.00 1.00 C ATOM 65 NZ LYS A 689 7.490 -2.710 -5.294 1.00 1.00 N ATOM 0 H LYS A 689 6.887 2.958 -7.286 1.00 1.00 H new ATOM 0 HA LYS A 689 5.212 3.305 -5.051 1.00 1.00 H new ATOM 0 HB2 LYS A 689 8.106 2.345 -5.266 1.00 1.00 H new ATOM 0 HB3 LYS A 689 7.099 2.145 -3.846 1.00 1.00 H new ATOM 0 HG2 LYS A 689 5.430 0.852 -5.234 1.00 1.00 H new ATOM 0 HG3 LYS A 689 6.475 1.022 -6.630 1.00 1.00 H new ATOM 0 HD2 LYS A 689 8.308 -0.178 -5.426 1.00 1.00 H new ATOM 0 HD3 LYS A 689 7.299 -0.312 -3.999 1.00 1.00 H new ATOM 0 HE2 LYS A 689 5.637 -1.667 -5.256 1.00 1.00 H new ATOM 0 HE3 LYS A 689 6.551 -1.462 -6.737 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 7.063 -3.577 -5.678 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 8.442 -2.586 -5.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 7.556 -2.785 -4.259 1.00 1.00 H new ATOM 79 N GLY A 690 7.899 5.234 -5.155 1.00 1.00 N ATOM 80 CA GLY A 690 8.500 6.417 -4.551 1.00 1.00 C ATOM 81 C GLY A 690 9.949 6.600 -5.007 1.00 1.00 C ATOM 82 O GLY A 690 10.457 5.831 -5.821 1.00 1.00 O ATOM 0 H GLY A 690 8.385 4.880 -5.979 1.00 1.00 H new ATOM 0 HA2 GLY A 690 7.918 7.299 -4.818 1.00 1.00 H new ATOM 0 HA3 GLY A 690 8.467 6.330 -3.465 1.00 1.00 H new ATOM 86 N PRO A 691 10.612 7.601 -4.489 1.00 1.00 N ATOM 87 CA PRO A 691 12.038 7.909 -4.835 1.00 1.00 C ATOM 88 C PRO A 691 12.963 6.694 -4.680 1.00 1.00 C ATOM 89 O PRO A 691 13.844 6.469 -5.510 1.00 1.00 O ATOM 90 CB PRO A 691 12.432 9.004 -3.837 1.00 1.00 C ATOM 91 CG PRO A 691 11.153 9.618 -3.366 1.00 1.00 C ATOM 92 CD PRO A 691 10.063 8.559 -3.517 1.00 1.00 C ATOM 0 HA PRO A 691 12.135 8.209 -5.878 1.00 1.00 H new ATOM 0 HB2 PRO A 691 12.994 8.586 -3.002 1.00 1.00 H new ATOM 0 HB3 PRO A 691 13.071 9.750 -4.310 1.00 1.00 H new ATOM 0 HG2 PRO A 691 11.239 9.937 -2.327 1.00 1.00 H new ATOM 0 HG3 PRO A 691 10.912 10.505 -3.953 1.00 1.00 H new ATOM 0 HD2 PRO A 691 9.844 8.076 -2.565 1.00 1.00 H new ATOM 0 HD3 PRO A 691 9.131 8.997 -3.874 1.00 1.00 H new ATOM 100 N ASP A 692 12.755 5.918 -3.615 1.00 1.00 N ATOM 101 CA ASP A 692 13.572 4.727 -3.364 1.00 1.00 C ATOM 102 C ASP A 692 15.065 5.042 -3.484 1.00 1.00 C ATOM 103 O ASP A 692 15.870 4.189 -3.867 1.00 1.00 O ATOM 104 CB ASP A 692 13.203 3.628 -4.362 1.00 1.00 C ATOM 105 CG ASP A 692 11.819 3.074 -4.037 1.00 1.00 C ATOM 106 OD1 ASP A 692 11.334 3.340 -2.949 1.00 1.00 O ATOM 107 OD2 ASP A 692 11.260 2.393 -4.884 1.00 1.00 O ATOM 0 H ASP A 692 12.033 6.090 -2.916 1.00 1.00 H new ATOM 0 HA ASP A 692 13.373 4.389 -2.347 1.00 1.00 H new ATOM 0 HB2 ASP A 692 13.216 4.027 -5.376 1.00 1.00 H new ATOM 0 HB3 ASP A 692 13.942 2.828 -4.325 1.00 1.00 H new ATOM 112 N ILE A 693 15.415 6.275 -3.132 1.00 1.00 N ATOM 113 CA ILE A 693 16.804 6.744 -3.163 1.00 1.00 C ATOM 114 C ILE A 693 17.626 6.074 -2.064 1.00 1.00 C ATOM 115 O ILE A 693 18.782 5.703 -2.267 1.00 1.00 O ATOM 116 CB ILE A 693 16.847 8.262 -2.984 1.00 1.00 C ATOM 117 CG1 ILE A 693 16.184 8.927 -4.184 1.00 1.00 C ATOM 118 CG2 ILE A 693 18.301 8.733 -2.904 1.00 1.00 C ATOM 119 CD1 ILE A 693 15.914 10.392 -3.855 1.00 1.00 C ATOM 0 H ILE A 693 14.748 6.980 -2.817 1.00 1.00 H new ATOM 0 HA ILE A 693 17.233 6.480 -4.130 1.00 1.00 H new ATOM 0 HB ILE A 693 16.323 8.530 -2.066 1.00 1.00 H new ATOM 0 HG12 ILE A 693 16.828 8.851 -5.060 1.00 1.00 H new ATOM 0 HG13 ILE A 693 15.252 8.418 -4.429 1.00 1.00 H new ATOM 0 HG21 ILE A 693 18.326 9.815 -2.777 1.00 1.00 H new ATOM 0 HG22 ILE A 693 18.792 8.256 -2.056 1.00 1.00 H new ATOM 0 HG23 ILE A 693 18.822 8.464 -3.823 1.00 1.00 H new ATOM 0 HD11 ILE A 693 15.439 10.875 -4.709 1.00 1.00 H new ATOM 0 HD12 ILE A 693 15.254 10.455 -2.990 1.00 1.00 H new ATOM 0 HD13 ILE A 693 16.855 10.894 -3.631 1.00 1.00 H new ATOM 131 N LEU A 694 17.010 5.948 -0.889 1.00 1.00 N ATOM 132 CA LEU A 694 17.661 5.346 0.271 1.00 1.00 C ATOM 133 C LEU A 694 18.031 3.888 0.015 1.00 1.00 C ATOM 134 O LEU A 694 19.103 3.439 0.406 1.00 1.00 O ATOM 135 CB LEU A 694 16.724 5.410 1.485 1.00 1.00 C ATOM 136 CG LEU A 694 16.795 6.796 2.132 1.00 1.00 C ATOM 137 CD1 LEU A 694 16.428 7.855 1.094 1.00 1.00 C ATOM 138 CD2 LEU A 694 15.800 6.873 3.298 1.00 1.00 C ATOM 0 H LEU A 694 16.054 6.258 -0.716 1.00 1.00 H new ATOM 0 HA LEU A 694 18.574 5.909 0.463 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.701 5.196 1.176 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.004 4.646 2.211 1.00 1.00 H new ATOM 0 HG LEU A 694 17.805 6.971 2.502 1.00 1.00 H new ATOM 0 HD11 LEU A 694 16.477 8.844 1.550 1.00 1.00 H new ATOM 0 HD12 LEU A 694 17.128 7.805 0.260 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.417 7.673 0.730 1.00 1.00 H new ATOM 0 HD21 LEU A 694 15.853 7.860 3.757 1.00 1.00 H new ATOM 0 HD22 LEU A 694 14.790 6.699 2.927 1.00 1.00 H new ATOM 0 HD23 LEU A 694 16.050 6.115 4.040 1.00 1.00 H new ATOM 150 N VAL A 695 17.134 3.144 -0.629 1.00 1.00 N ATOM 151 CA VAL A 695 17.376 1.729 -0.907 1.00 1.00 C ATOM 152 C VAL A 695 18.621 1.547 -1.763 1.00 1.00 C ATOM 153 O VAL A 695 19.442 0.668 -1.500 1.00 1.00 O ATOM 154 CB VAL A 695 16.164 1.118 -1.616 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.458 -0.350 -1.944 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.936 1.215 -0.701 1.00 1.00 C ATOM 0 H VAL A 695 16.238 3.494 -0.967 1.00 1.00 H new ATOM 0 HA VAL A 695 17.534 1.218 0.043 1.00 1.00 H new ATOM 0 HB VAL A 695 15.964 1.660 -2.540 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.598 -0.789 -2.449 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.330 -0.410 -2.595 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.655 -0.896 -1.022 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.072 0.781 -1.204 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.128 0.672 0.224 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.734 2.262 -0.472 1.00 1.00 H new ATOM 166 N VAL A 696 18.774 2.392 -2.775 1.00 1.00 N ATOM 167 CA VAL A 696 19.947 2.299 -3.632 1.00 1.00 C ATOM 168 C VAL A 696 21.209 2.514 -2.804 1.00 1.00 C ATOM 169 O VAL A 696 22.175 1.762 -2.916 1.00 1.00 O ATOM 170 CB VAL A 696 19.885 3.354 -4.735 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.209 3.353 -5.496 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.752 3.015 -5.702 1.00 1.00 C ATOM 0 H VAL A 696 18.117 3.133 -3.018 1.00 1.00 H new ATOM 0 HA VAL A 696 19.968 1.308 -4.085 1.00 1.00 H new ATOM 0 HB VAL A 696 19.707 4.335 -4.295 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.175 4.103 -6.286 1.00 1.00 H new ATOM 0 HG12 VAL A 696 22.023 3.585 -4.810 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.375 2.370 -5.936 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.708 3.768 -6.489 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.933 2.036 -6.146 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.805 2.999 -5.162 1.00 1.00 H new ATOM 182 N LEU A 697 21.189 3.554 -1.975 1.00 1.00 N ATOM 183 CA LEU A 697 22.338 3.867 -1.131 1.00 1.00 C ATOM 184 C LEU A 697 22.618 2.733 -0.149 1.00 1.00 C ATOM 185 O LEU A 697 23.772 2.368 0.076 1.00 1.00 O ATOM 186 CB LEU A 697 22.072 5.167 -0.358 1.00 1.00 C ATOM 187 CG LEU A 697 22.092 6.354 -1.331 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.534 7.595 -0.642 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.522 6.660 -1.789 1.00 1.00 C ATOM 0 H LEU A 697 20.398 4.189 -1.870 1.00 1.00 H new ATOM 0 HA LEU A 697 23.212 3.992 -1.771 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.107 5.112 0.146 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.828 5.304 0.415 1.00 1.00 H new ATOM 0 HG LEU A 697 21.483 6.090 -2.196 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.550 8.435 -1.336 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.508 7.405 -0.326 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.144 7.833 0.229 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.511 7.505 -2.478 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.137 6.906 -0.923 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.937 5.787 -2.292 1.00 1.00 H new ATOM 201 N LEU A 698 21.561 2.182 0.433 1.00 1.00 N ATOM 202 CA LEU A 698 21.705 1.093 1.391 1.00 1.00 C ATOM 203 C LEU A 698 22.314 -0.150 0.733 1.00 1.00 C ATOM 204 O LEU A 698 23.144 -0.840 1.335 1.00 1.00 O ATOM 205 CB LEU A 698 20.346 0.749 1.993 1.00 1.00 C ATOM 206 CG LEU A 698 19.886 1.879 2.925 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.404 1.690 3.225 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.666 1.861 4.251 1.00 1.00 C ATOM 0 H LEU A 698 20.598 2.470 0.260 1.00 1.00 H new ATOM 0 HA LEU A 698 22.380 1.423 2.180 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.614 0.600 1.199 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.410 -0.188 2.547 1.00 1.00 H new ATOM 0 HG LEU A 698 20.068 2.833 2.431 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.062 2.486 3.887 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.837 1.723 2.295 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.251 0.725 3.709 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.317 2.673 4.889 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.505 0.908 4.755 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.729 1.989 4.049 1.00 1.00 H new ATOM 220 N SER A 699 21.901 -0.423 -0.507 1.00 1.00 N ATOM 221 CA SER A 699 22.408 -1.570 -1.260 1.00 1.00 C ATOM 222 C SER A 699 23.874 -1.369 -1.618 1.00 1.00 C ATOM 223 O SER A 699 24.664 -2.312 -1.613 1.00 1.00 O ATOM 224 CB SER A 699 21.602 -1.757 -2.551 1.00 1.00 C ATOM 225 OG SER A 699 20.210 -1.787 -2.253 1.00 1.00 O ATOM 0 H SER A 699 21.214 0.138 -1.011 1.00 1.00 H new ATOM 0 HA SER A 699 22.307 -2.456 -0.633 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.817 -0.944 -3.245 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.897 -2.683 -3.044 1.00 1.00 H new ATOM 0 HG SER A 699 19.875 -0.871 -2.161 1.00 1.00 H new ATOM 231 N VAL A 700 24.216 -0.132 -1.953 1.00 1.00 N ATOM 232 CA VAL A 700 25.582 0.194 -2.338 1.00 1.00 C ATOM 233 C VAL A 700 26.549 -0.026 -1.176 1.00 1.00 C ATOM 234 O VAL A 700 27.628 -0.586 -1.357 1.00 1.00 O ATOM 235 CB VAL A 700 25.644 1.646 -2.816 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.098 2.042 -3.052 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.872 1.774 -4.131 1.00 1.00 C ATOM 0 H VAL A 700 23.571 0.658 -1.966 1.00 1.00 H new ATOM 0 HA VAL A 700 25.883 -0.468 -3.150 1.00 1.00 H new ATOM 0 HB VAL A 700 25.205 2.298 -2.061 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.143 3.076 -3.393 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.658 1.942 -2.122 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.534 1.391 -3.810 1.00 1.00 H new ATOM 0 HG21 VAL A 700 24.912 2.807 -4.477 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.320 1.122 -4.881 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.833 1.485 -3.973 1.00 1.00 H new ATOM 247 N MET A 701 26.160 0.449 0.006 1.00 1.00 N ATOM 248 CA MET A 701 27.000 0.333 1.196 1.00 1.00 C ATOM 249 C MET A 701 27.249 -1.125 1.565 1.00 1.00 C ATOM 250 O MET A 701 28.352 -1.490 1.953 1.00 1.00 O ATOM 251 CB MET A 701 26.323 1.050 2.365 1.00 1.00 C ATOM 252 CG MET A 701 26.447 2.561 2.165 1.00 1.00 C ATOM 253 SD MET A 701 25.551 3.431 3.481 1.00 1.00 S ATOM 254 CE MET A 701 26.683 3.072 4.849 1.00 1.00 C ATOM 0 H MET A 701 25.268 0.918 0.165 1.00 1.00 H new ATOM 0 HA MET A 701 27.964 0.794 0.979 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.273 0.764 2.424 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.787 0.756 3.306 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.497 2.853 2.173 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.045 2.842 1.192 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.533 3.800 5.646 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.486 2.070 5.230 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.712 3.130 4.494 1.00 1.00 H new ATOM 264 N GLY A 702 26.225 -1.959 1.455 1.00 1.00 N ATOM 265 CA GLY A 702 26.380 -3.367 1.793 1.00 1.00 C ATOM 266 C GLY A 702 27.278 -4.086 0.790 1.00 1.00 C ATOM 267 O GLY A 702 28.159 -4.855 1.171 1.00 1.00 O ATOM 0 H GLY A 702 25.292 -1.692 1.140 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.804 -3.458 2.793 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.402 -3.847 1.817 1.00 1.00 H new ATOM 271 N ALA A 703 27.036 -3.844 -0.497 1.00 1.00 N ATOM 272 CA ALA A 703 27.806 -4.491 -1.553 1.00 1.00 C ATOM 273 C ALA A 703 29.301 -4.207 -1.446 1.00 1.00 C ATOM 274 O ALA A 703 30.115 -5.129 -1.505 1.00 1.00 O ATOM 275 CB ALA A 703 27.299 -4.028 -2.921 1.00 1.00 C ATOM 0 H ALA A 703 26.314 -3.206 -0.831 1.00 1.00 H new ATOM 0 HA ALA A 703 27.667 -5.566 -1.438 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.877 -4.514 -3.707 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.247 -4.293 -3.028 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.411 -2.947 -3.004 1.00 1.00 H new ATOM 281 N ILE A 704 29.660 -2.934 -1.283 1.00 1.00 N ATOM 282 CA ILE A 704 31.070 -2.575 -1.172 1.00 1.00 C ATOM 283 C ILE A 704 31.669 -3.163 0.105 1.00 1.00 C ATOM 284 O ILE A 704 32.795 -3.662 0.105 1.00 1.00 O ATOM 285 CB ILE A 704 31.264 -1.050 -1.203 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.764 -0.747 -1.255 1.00 1.00 C ATOM 287 CG2 ILE A 704 30.670 -0.406 0.048 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.992 0.744 -1.524 1.00 1.00 C ATOM 0 H ILE A 704 29.009 -2.151 -1.226 1.00 1.00 H new ATOM 0 HA ILE A 704 31.591 -2.995 -2.032 1.00 1.00 H new ATOM 0 HB ILE A 704 30.758 -0.645 -2.080 1.00 1.00 H new ATOM 0 HG12 ILE A 704 33.233 -1.030 -0.313 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.236 -1.342 -2.037 1.00 1.00 H new ATOM 0 HG21 ILE A 704 30.818 0.673 0.007 1.00 1.00 H new ATOM 0 HG22 ILE A 704 29.603 -0.625 0.098 1.00 1.00 H new ATOM 0 HG23 ILE A 704 31.165 -0.806 0.933 1.00 1.00 H new ATOM 0 HD11 ILE A 704 34.062 0.948 -1.559 1.00 1.00 H new ATOM 0 HD12 ILE A 704 32.540 1.015 -2.478 1.00 1.00 H new ATOM 0 HD13 ILE A 704 32.537 1.331 -0.727 1.00 1.00 H new ATOM 300 N LEU A 705 30.919 -3.091 1.201 1.00 1.00 N ATOM 301 CA LEU A 705 31.393 -3.615 2.481 1.00 1.00 C ATOM 302 C LEU A 705 31.544 -5.139 2.462 1.00 1.00 C ATOM 303 O LEU A 705 32.491 -5.678 3.035 1.00 1.00 O ATOM 304 CB LEU A 705 30.429 -3.209 3.605 1.00 1.00 C ATOM 305 CG LEU A 705 30.553 -1.701 3.892 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.480 -1.266 4.897 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.940 -1.379 4.470 1.00 1.00 C ATOM 0 H LEU A 705 29.987 -2.678 1.231 1.00 1.00 H new ATOM 0 HA LEU A 705 32.378 -3.185 2.661 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.405 -3.450 3.320 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.651 -3.778 4.508 1.00 1.00 H new ATOM 0 HG LEU A 705 30.417 -1.162 2.954 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.577 -0.198 5.093 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.492 -1.472 4.486 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.608 -1.819 5.828 1.00 1.00 H new ATOM 0 HD21 LEU A 705 32.012 -0.310 4.668 1.00 1.00 H new ATOM 0 HD22 LEU A 705 32.084 -1.930 5.399 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.709 -1.668 3.754 1.00 1.00 H new ATOM 319 N LEU A 706 30.603 -5.834 1.829 1.00 1.00 N ATOM 320 CA LEU A 706 30.635 -7.295 1.776 1.00 1.00 C ATOM 321 C LEU A 706 31.874 -7.830 1.048 1.00 1.00 C ATOM 322 O LEU A 706 32.511 -8.782 1.504 1.00 1.00 O ATOM 323 CB LEU A 706 29.372 -7.806 1.066 1.00 1.00 C ATOM 324 CG LEU A 706 28.171 -7.768 2.025 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.883 -8.035 1.241 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.331 -8.833 3.123 1.00 1.00 C ATOM 0 H LEU A 706 29.810 -5.412 1.346 1.00 1.00 H new ATOM 0 HA LEU A 706 30.676 -7.657 2.803 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.166 -7.193 0.189 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.532 -8.824 0.712 1.00 1.00 H new ATOM 0 HG LEU A 706 28.122 -6.784 2.491 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.031 -8.008 1.921 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.759 -7.271 0.474 1.00 1.00 H new ATOM 0 HD13 LEU A 706 26.941 -9.016 0.770 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.473 -8.795 3.795 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.390 -9.821 2.666 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.243 -8.639 3.688 1.00 1.00 H new ATOM 338 N ILE A 707 32.213 -7.206 -0.083 1.00 1.00 N ATOM 339 CA ILE A 707 33.387 -7.631 -0.852 1.00 1.00 C ATOM 340 C ILE A 707 34.669 -7.336 -0.080 1.00 1.00 C ATOM 341 O ILE A 707 35.627 -8.101 -0.141 1.00 1.00 O ATOM 342 CB ILE A 707 33.422 -6.955 -2.227 1.00 1.00 C ATOM 343 CG1 ILE A 707 34.693 -7.382 -2.974 1.00 1.00 C ATOM 344 CG2 ILE A 707 33.397 -5.435 -2.068 1.00 1.00 C ATOM 345 CD1 ILE A 707 34.583 -6.967 -4.439 1.00 1.00 C ATOM 0 H ILE A 707 31.702 -6.418 -0.482 1.00 1.00 H new ATOM 0 HA ILE A 707 33.314 -8.707 -1.007 1.00 1.00 H new ATOM 0 HB ILE A 707 32.546 -7.261 -2.799 1.00 1.00 H new ATOM 0 HG12 ILE A 707 35.569 -6.920 -2.518 1.00 1.00 H new ATOM 0 HG13 ILE A 707 34.827 -8.461 -2.899 1.00 1.00 H new ATOM 0 HG21 ILE A 707 33.422 -4.966 -3.052 1.00 1.00 H new ATOM 0 HG22 ILE A 707 32.486 -5.139 -1.548 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.265 -5.115 -1.491 1.00 1.00 H new ATOM 0 HD11 ILE A 707 35.485 -7.269 -4.971 1.00 1.00 H new ATOM 0 HD12 ILE A 707 33.716 -7.450 -4.890 1.00 1.00 H new ATOM 0 HD13 ILE A 707 34.469 -5.885 -4.503 1.00 1.00 H new ATOM 357 N GLY A 708 34.680 -6.225 0.649 1.00 1.00 N ATOM 358 CA GLY A 708 35.851 -5.859 1.435 1.00 1.00 C ATOM 359 C GLY A 708 36.152 -6.957 2.448 1.00 1.00 C ATOM 360 O GLY A 708 37.306 -7.328 2.662 1.00 1.00 O ATOM 0 H GLY A 708 33.901 -5.570 0.712 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.709 -5.710 0.780 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.675 -4.914 1.949 1.00 1.00 H new ATOM 364 N LEU A 709 35.089 -7.479 3.066 1.00 1.00 N ATOM 365 CA LEU A 709 35.231 -8.544 4.059 1.00 1.00 C ATOM 366 C LEU A 709 35.811 -9.791 3.398 1.00 1.00 C ATOM 367 O LEU A 709 36.710 -10.431 3.942 1.00 1.00 O ATOM 368 CB LEU A 709 33.859 -8.847 4.696 1.00 1.00 C ATOM 369 CG LEU A 709 33.971 -9.968 5.745 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.885 -9.526 6.896 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.574 -10.289 6.298 1.00 1.00 C ATOM 0 H LEU A 709 34.128 -7.183 2.897 1.00 1.00 H new ATOM 0 HA LEU A 709 35.913 -8.222 4.846 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.465 -7.945 5.164 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.151 -9.140 3.921 1.00 1.00 H new ATOM 0 HG LEU A 709 34.396 -10.855 5.274 1.00 1.00 H new ATOM 0 HD11 LEU A 709 34.957 -10.327 7.632 1.00 1.00 H new ATOM 0 HD12 LEU A 709 35.878 -9.301 6.506 1.00 1.00 H new ATOM 0 HD13 LEU A 709 34.470 -8.635 7.368 1.00 1.00 H new ATOM 0 HD21 LEU A 709 32.650 -11.083 7.041 1.00 1.00 H new ATOM 0 HD22 LEU A 709 32.152 -9.397 6.762 1.00 1.00 H new ATOM 0 HD23 LEU A 709 31.927 -10.615 5.484 1.00 1.00 H new ATOM 383 N ALA A 710 35.311 -10.124 2.212 1.00 1.00 N ATOM 384 CA ALA A 710 35.819 -11.286 1.493 1.00 1.00 C ATOM 385 C ALA A 710 37.289 -11.072 1.128 1.00 1.00 C ATOM 386 O ALA A 710 38.088 -12.008 1.171 1.00 1.00 O ATOM 387 CB ALA A 710 35.001 -11.526 0.223 1.00 1.00 C ATOM 0 H ALA A 710 34.567 -9.615 1.735 1.00 1.00 H new ATOM 0 HA ALA A 710 35.732 -12.160 2.138 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.392 -12.397 -0.303 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.959 -11.701 0.489 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.068 -10.651 -0.424 1.00 1.00 H new ATOM 393 N ALA A 711 37.640 -9.837 0.773 1.00 1.00 N ATOM 394 CA ALA A 711 39.025 -9.543 0.410 1.00 1.00 C ATOM 395 C ALA A 711 39.953 -9.797 1.593 1.00 1.00 C ATOM 396 O ALA A 711 41.025 -10.389 1.442 1.00 1.00 O ATOM 397 CB ALA A 711 39.162 -8.086 -0.040 1.00 1.00 C ATOM 0 H ALA A 711 37.003 -9.042 0.729 1.00 1.00 H new ATOM 0 HA ALA A 711 39.306 -10.201 -0.413 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.199 -7.884 -0.307 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.524 -7.911 -0.906 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.860 -7.424 0.772 1.00 1.00 H new ATOM 403 N LEU A 712 39.548 -9.326 2.767 1.00 1.00 N ATOM 404 CA LEU A 712 40.359 -9.479 3.972 1.00 1.00 C ATOM 405 C LEU A 712 40.544 -10.945 4.362 1.00 1.00 C ATOM 406 O LEU A 712 41.622 -11.351 4.796 1.00 1.00 O ATOM 407 CB LEU A 712 39.700 -8.727 5.131 1.00 1.00 C ATOM 408 CG LEU A 712 39.737 -7.225 4.838 1.00 1.00 C ATOM 409 CD1 LEU A 712 38.869 -6.483 5.852 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.175 -6.693 4.917 1.00 1.00 C ATOM 0 H LEU A 712 38.665 -8.836 2.911 1.00 1.00 H new ATOM 0 HA LEU A 712 41.344 -9.065 3.759 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.670 -9.060 5.258 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.222 -8.941 6.064 1.00 1.00 H new ATOM 0 HG LEU A 712 39.355 -7.060 3.831 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.897 -5.414 5.641 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.842 -6.840 5.782 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.248 -6.665 6.858 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.179 -5.624 4.706 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.573 -6.867 5.917 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.795 -7.210 4.185 1.00 1.00 H new ATOM 422 N LEU A 713 39.476 -11.724 4.246 1.00 1.00 N ATOM 423 CA LEU A 713 39.522 -13.132 4.634 1.00 1.00 C ATOM 424 C LEU A 713 40.511 -13.937 3.793 1.00 1.00 C ATOM 425 O LEU A 713 41.285 -14.730 4.321 1.00 1.00 O ATOM 426 CB LEU A 713 38.124 -13.732 4.506 1.00 1.00 C ATOM 427 CG LEU A 713 37.205 -13.121 5.573 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.761 -13.536 5.291 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.608 -13.602 6.976 1.00 1.00 C ATOM 0 H LEU A 713 38.573 -11.410 3.890 1.00 1.00 H new ATOM 0 HA LEU A 713 39.866 -13.182 5.667 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.723 -13.538 3.511 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.169 -14.814 4.626 1.00 1.00 H new ATOM 0 HG LEU A 713 37.297 -12.036 5.536 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.104 -13.104 6.046 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.465 -13.177 4.305 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.682 -14.623 5.320 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.944 -13.157 7.718 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.531 -14.688 7.024 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.635 -13.302 7.182 1.00 1.00 H new ATOM 441 N ILE A 714 40.506 -13.698 2.487 1.00 1.00 N ATOM 442 CA ILE A 714 41.434 -14.384 1.599 1.00 1.00 C ATOM 443 C ILE A 714 42.856 -13.988 1.983 1.00 1.00 C ATOM 444 O ILE A 714 43.756 -14.823 2.048 1.00 1.00 O ATOM 445 CB ILE A 714 41.169 -13.973 0.155 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.806 -14.501 -0.299 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.260 -14.556 -0.741 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.375 -13.735 -1.548 1.00 1.00 C ATOM 0 H ILE A 714 39.877 -13.042 2.024 1.00 1.00 H new ATOM 0 HA ILE A 714 41.303 -15.462 1.691 1.00 1.00 H new ATOM 0 HB ILE A 714 41.172 -12.885 0.085 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.866 -15.568 -0.512 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.069 -14.376 0.494 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.075 -14.265 -1.775 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.232 -14.176 -0.425 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.252 -15.643 -0.663 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.404 -14.101 -1.883 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.301 -12.673 -1.316 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.111 -13.884 -2.338 1.00 1.00 H new ATOM 460 N TRP A 715 43.041 -12.700 2.248 1.00 1.00 N ATOM 461 CA TRP A 715 44.370 -12.243 2.637 1.00 1.00 C ATOM 462 C TRP A 715 44.848 -13.084 3.831 1.00 1.00 C ATOM 463 O TRP A 715 45.950 -13.636 3.820 1.00 1.00 O ATOM 464 CB TRP A 715 44.320 -10.754 3.020 1.00 1.00 C ATOM 465 CG TRP A 715 45.676 -10.240 3.421 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.864 -10.880 3.250 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.991 -8.978 4.073 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.876 -10.082 3.749 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.389 -8.904 4.268 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.202 -7.899 4.508 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.984 -7.795 4.878 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.794 -6.784 5.120 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.182 -6.732 5.306 1.00 1.00 C ATOM 0 H TRP A 715 42.321 -11.979 2.204 1.00 1.00 H new ATOM 0 HA TRP A 715 45.064 -12.361 1.805 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.945 -10.173 2.177 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.619 -10.612 3.842 1.00 1.00 H new ATOM 0 HD1 TRP A 715 46.995 -11.852 2.798 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.864 -10.335 3.734 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.131 -7.929 4.370 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.054 -7.760 5.017 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.177 -5.961 5.450 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.632 -5.872 5.779 1.00 1.00 H new ATOM 484 N LYS A 716 43.988 -13.197 4.853 1.00 1.00 N ATOM 485 CA LYS A 716 44.303 -13.987 6.054 1.00 1.00 C ATOM 486 C LYS A 716 44.557 -15.445 5.676 1.00 1.00 C ATOM 487 O LYS A 716 45.453 -16.089 6.216 1.00 1.00 O ATOM 488 CB LYS A 716 43.118 -13.920 7.044 1.00 1.00 C ATOM 489 CG LYS A 716 43.399 -14.634 8.396 1.00 1.00 C ATOM 490 CD LYS A 716 44.221 -13.798 9.420 1.00 1.00 C ATOM 491 CE LYS A 716 45.698 -13.639 9.042 1.00 1.00 C ATOM 492 NZ LYS A 716 46.463 -13.195 10.244 1.00 1.00 N ATOM 0 H LYS A 716 43.070 -12.753 4.873 1.00 1.00 H new ATOM 0 HA LYS A 716 45.199 -13.575 6.519 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.875 -12.875 7.237 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.241 -14.371 6.580 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.447 -14.905 8.852 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.933 -15.563 8.196 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.771 -12.810 9.513 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.155 -14.272 10.399 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.095 -14.584 8.671 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.804 -12.911 8.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.467 -13.085 9.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.087 -12.285 10.578 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.369 -13.906 10.997 1.00 1.00 H new ATOM 506 N LEU A 717 43.762 -15.952 4.742 1.00 1.00 N ATOM 507 CA LEU A 717 43.914 -17.329 4.295 1.00 1.00 C ATOM 508 C LEU A 717 45.315 -17.523 3.724 1.00 1.00 C ATOM 509 O LEU A 717 45.941 -18.547 3.974 1.00 1.00 O ATOM 510 CB LEU A 717 42.854 -17.644 3.230 1.00 1.00 C ATOM 511 CG LEU A 717 43.006 -19.087 2.735 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.819 -20.053 3.905 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.952 -19.377 1.663 1.00 1.00 C ATOM 0 H LEU A 717 43.012 -15.435 4.283 1.00 1.00 H new ATOM 0 HA LEU A 717 43.777 -18.008 5.137 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.857 -17.499 3.646 1.00 1.00 H new ATOM 0 HB3 LEU A 717 42.954 -16.953 2.393 1.00 1.00 H new ATOM 0 HG LEU A 717 44.001 -19.218 2.310 1.00 1.00 H new ATOM 0 HD11 LEU A 717 42.927 -21.078 3.551 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.571 -19.851 4.668 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.825 -19.920 4.332 1.00 1.00 H new ATOM 0 HD21 LEU A 717 42.062 -20.403 1.313 1.00 1.00 H new ATOM 0 HD22 LEU A 717 40.956 -19.243 2.086 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.086 -18.692 0.826 1.00 1.00 H new ATOM 525 N LEU A 718 45.798 -16.567 2.933 1.00 1.00 N ATOM 526 CA LEU A 718 47.118 -16.718 2.319 1.00 1.00 C ATOM 527 C LEU A 718 48.218 -16.840 3.368 1.00 1.00 C ATOM 528 O LEU A 718 49.063 -17.729 3.297 1.00 1.00 O ATOM 529 CB LEU A 718 47.423 -15.516 1.421 1.00 1.00 C ATOM 530 CG LEU A 718 46.476 -15.515 0.217 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.624 -14.195 -0.547 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.800 -16.697 -0.712 1.00 1.00 C ATOM 0 H LEU A 718 45.311 -15.700 2.705 1.00 1.00 H new ATOM 0 HA LEU A 718 47.097 -17.634 1.729 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.309 -14.590 1.985 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.458 -15.557 1.081 1.00 1.00 H new ATOM 0 HG LEU A 718 45.449 -15.617 0.568 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.951 -14.193 -1.404 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.375 -13.363 0.112 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.652 -14.088 -0.893 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.121 -16.687 -1.564 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.827 -16.611 -1.066 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.682 -17.633 -0.165 1.00 1.00 H new ATOM 544 N ILE A 719 48.207 -15.926 4.323 1.00 1.00 N ATOM 545 CA ILE A 719 49.214 -15.902 5.374 1.00 1.00 C ATOM 546 C ILE A 719 49.125 -17.096 6.324 1.00 1.00 C ATOM 547 O ILE A 719 50.154 -17.667 6.688 1.00 1.00 O ATOM 548 CB ILE A 719 49.084 -14.608 6.172 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.499 -13.429 5.284 1.00 1.00 C ATOM 550 CG2 ILE A 719 49.988 -14.681 7.403 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.130 -12.114 5.973 1.00 1.00 C ATOM 0 H ILE A 719 47.508 -15.186 4.394 1.00 1.00 H new ATOM 0 HA ILE A 719 50.185 -15.961 4.883 1.00 1.00 H new ATOM 0 HB ILE A 719 48.052 -14.470 6.496 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.572 -13.463 5.094 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.002 -13.497 4.316 1.00 1.00 H new ATOM 0 HG21 ILE A 719 49.898 -13.758 7.976 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.689 -15.525 8.025 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.023 -14.812 7.087 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.425 -11.277 5.341 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.053 -12.080 6.140 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.648 -12.047 6.930 1.00 1.00 H new ATOM 563 N THR A 720 47.920 -17.486 6.723 1.00 1.00 N ATOM 564 CA THR A 720 47.766 -18.625 7.625 1.00 1.00 C ATOM 565 C THR A 720 48.323 -19.896 6.987 1.00 1.00 C ATOM 566 O THR A 720 49.027 -20.668 7.639 1.00 1.00 O ATOM 567 CB THR A 720 46.283 -18.834 7.944 1.00 1.00 C ATOM 568 OG1 THR A 720 45.779 -17.687 8.611 1.00 1.00 O ATOM 569 CG2 THR A 720 46.111 -20.068 8.835 1.00 1.00 C ATOM 0 H THR A 720 47.047 -17.040 6.443 1.00 1.00 H new ATOM 0 HA THR A 720 48.318 -18.415 8.541 1.00 1.00 H new ATOM 0 HB THR A 720 45.732 -18.987 7.016 1.00 1.00 H new ATOM 0 HG1 THR A 720 45.592 -16.983 7.955 1.00 1.00 H new ATOM 0 HG21 THR A 720 45.054 -20.211 9.058 1.00 1.00 H new ATOM 0 HG22 THR A 720 46.495 -20.947 8.317 1.00 1.00 H new ATOM 0 HG23 THR A 720 46.662 -19.925 9.765 1.00 1.00 H new ATOM 577 N ILE A 721 47.999 -20.118 5.720 1.00 1.00 N ATOM 578 CA ILE A 721 48.471 -21.311 5.026 1.00 1.00 C ATOM 579 C ILE A 721 49.784 -21.021 4.305 1.00 1.00 C ATOM 580 O ILE A 721 50.335 -21.889 3.633 1.00 1.00 O ATOM 581 CB ILE A 721 47.425 -21.783 4.010 1.00 1.00 C ATOM 582 CG1 ILE A 721 47.254 -20.720 2.927 1.00 1.00 C ATOM 583 CG2 ILE A 721 46.081 -22.011 4.707 1.00 1.00 C ATOM 584 CD1 ILE A 721 47.859 -21.233 1.624 1.00 1.00 C ATOM 0 H ILE A 721 47.418 -19.497 5.157 1.00 1.00 H new ATOM 0 HA ILE A 721 48.634 -22.095 5.765 1.00 1.00 H new ATOM 0 HB ILE A 721 47.761 -22.718 3.563 1.00 1.00 H new ATOM 0 HG12 ILE A 721 46.197 -20.493 2.787 1.00 1.00 H new ATOM 0 HG13 ILE A 721 47.742 -19.793 3.229 1.00 1.00 H new ATOM 0 HG21 ILE A 721 45.345 -22.346 3.977 1.00 1.00 H new ATOM 0 HG22 ILE A 721 46.196 -22.770 5.481 1.00 1.00 H new ATOM 0 HG23 ILE A 721 45.744 -21.079 5.161 1.00 1.00 H new ATOM 0 HD11 ILE A 721 47.740 -20.479 0.846 1.00 1.00 H new ATOM 0 HD12 ILE A 721 48.919 -21.439 1.771 1.00 1.00 H new ATOM 0 HD13 ILE A 721 47.350 -22.149 1.322 1.00 1.00 H new ATOM 596 N HIS A 722 50.266 -19.788 4.453 1.00 1.00 N ATOM 597 CA HIS A 722 51.508 -19.357 3.817 1.00 1.00 C ATOM 598 C HIS A 722 51.224 -18.872 2.404 1.00 1.00 C ATOM 599 O HIS A 722 50.503 -19.522 1.644 1.00 1.00 O ATOM 600 CB HIS A 722 52.531 -20.494 3.780 1.00 1.00 C ATOM 601 CG HIS A 722 53.915 -19.906 3.777 1.00 1.00 C ATOM 602 ND1 HIS A 722 54.469 -19.339 2.640 1.00 1.00 N ATOM 603 CD2 HIS A 722 54.866 -19.770 4.762 1.00 1.00 C ATOM 604 CE1 HIS A 722 55.694 -18.891 2.962 1.00 1.00 C ATOM 605 NE2 HIS A 722 55.987 -19.128 4.243 1.00 1.00 N ATOM 0 H HIS A 722 49.811 -19.066 5.012 1.00 1.00 H new ATOM 0 HA HIS A 722 51.926 -18.540 4.405 1.00 1.00 H new ATOM 0 HB2 HIS A 722 52.401 -21.146 4.644 1.00 1.00 H new ATOM 0 HB3 HIS A 722 52.380 -21.107 2.892 1.00 1.00 H new ATOM 0 HD2 HIS A 722 54.759 -20.109 5.782 1.00 1.00 H new ATOM 0 HE1 HIS A 722 56.361 -18.399 2.269 1.00 1.00 H new ATOM 0 HE2 HIS A 722 56.848 -18.890 4.736 1.00 1.00 H new ATOM 613 N ASP A 723 51.779 -17.720 2.066 1.00 1.00 N ATOM 614 CA ASP A 723 51.568 -17.145 0.750 1.00 1.00 C ATOM 615 C ASP A 723 52.662 -17.571 -0.214 1.00 1.00 C ATOM 616 O ASP A 723 53.821 -17.182 -0.072 1.00 1.00 O ATOM 617 CB ASP A 723 51.530 -15.626 0.842 1.00 1.00 C ATOM 618 CG ASP A 723 51.109 -15.043 -0.501 1.00 1.00 C ATOM 619 OD1 ASP A 723 51.137 -15.778 -1.475 1.00 1.00 O ATOM 620 OD2 ASP A 723 50.769 -13.874 -0.537 1.00 1.00 O ATOM 0 H ASP A 723 52.376 -17.168 2.682 1.00 1.00 H new ATOM 0 HA ASP A 723 50.613 -17.510 0.372 1.00 1.00 H new ATOM 0 HB2 ASP A 723 50.832 -15.316 1.619 1.00 1.00 H new ATOM 0 HB3 ASP A 723 52.511 -15.244 1.124 1.00 1.00 H new ATOM 625 N ARG A 724 52.275 -18.367 -1.196 1.00 1.00 N ATOM 626 CA ARG A 724 53.211 -18.848 -2.194 1.00 1.00 C ATOM 627 C ARG A 724 53.617 -17.722 -3.134 1.00 1.00 C ATOM 628 O ARG A 724 52.787 -16.902 -3.529 1.00 1.00 O ATOM 629 CB ARG A 724 52.557 -19.974 -2.990 1.00 1.00 C ATOM 630 CG ARG A 724 52.344 -21.178 -2.071 1.00 1.00 C ATOM 631 CD ARG A 724 51.618 -22.291 -2.832 1.00 1.00 C ATOM 632 NE ARG A 724 52.462 -22.815 -3.902 1.00 1.00 N ATOM 633 CZ ARG A 724 52.004 -23.718 -4.767 1.00 1.00 C ATOM 634 NH1 ARG A 724 50.758 -24.118 -4.713 1.00 1.00 N ATOM 635 NH2 ARG A 724 52.804 -24.200 -5.679 1.00 1.00 N ATOM 0 H ARG A 724 51.317 -18.694 -1.322 1.00 1.00 H new ATOM 0 HA ARG A 724 54.106 -19.218 -1.694 1.00 1.00 H new ATOM 0 HB2 ARG A 724 51.604 -19.640 -3.400 1.00 1.00 H new ATOM 0 HB3 ARG A 724 53.187 -20.252 -3.835 1.00 1.00 H new ATOM 0 HG2 ARG A 724 53.304 -21.542 -1.705 1.00 1.00 H new ATOM 0 HG3 ARG A 724 51.762 -20.882 -1.198 1.00 1.00 H new ATOM 0 HD2 ARG A 724 51.351 -23.094 -2.145 1.00 1.00 H new ATOM 0 HD3 ARG A 724 50.688 -21.906 -3.250 1.00 1.00 H new ATOM 0 HE ARG A 724 53.422 -22.483 -3.989 1.00 1.00 H new ATOM 0 HH11 ARG A 724 50.130 -23.737 -4.005 1.00 1.00 H new ATOM 0 HH12 ARG A 724 50.415 -24.810 -5.379 1.00 1.00 H new ATOM 0 HH21 ARG A 724 53.773 -23.885 -5.726 1.00 1.00 H new ATOM 0 HH22 ARG A 724 52.460 -24.892 -6.345 1.00 1.00 H new ATOM 649 N LYS A 725 54.897 -17.689 -3.485 1.00 1.00 N ATOM 650 CA LYS A 725 55.414 -16.658 -4.377 1.00 1.00 C ATOM 651 C LYS A 725 55.746 -17.240 -5.746 1.00 1.00 C ATOM 652 O LYS A 725 56.083 -18.415 -5.862 1.00 1.00 O ATOM 653 CB LYS A 725 56.661 -16.028 -3.764 1.00 1.00 C ATOM 654 CG LYS A 725 56.258 -15.251 -2.513 1.00 1.00 C ATOM 655 CD LYS A 725 57.483 -14.582 -1.893 1.00 1.00 C ATOM 656 CE LYS A 725 57.049 -13.816 -0.641 1.00 1.00 C ATOM 657 NZ LYS A 725 56.238 -12.630 -1.041 1.00 1.00 N ATOM 0 H LYS A 725 55.594 -18.362 -3.167 1.00 1.00 H new ATOM 0 HA LYS A 725 54.646 -15.895 -4.507 1.00 1.00 H new ATOM 0 HB2 LYS A 725 57.388 -16.800 -3.511 1.00 1.00 H new ATOM 0 HB3 LYS A 725 57.140 -15.363 -4.483 1.00 1.00 H new ATOM 0 HG2 LYS A 725 55.513 -14.498 -2.768 1.00 1.00 H new ATOM 0 HG3 LYS A 725 55.797 -15.924 -1.790 1.00 1.00 H new ATOM 0 HD2 LYS A 725 58.232 -15.331 -1.636 1.00 1.00 H new ATOM 0 HD3 LYS A 725 57.945 -13.903 -2.610 1.00 1.00 H new ATOM 0 HE2 LYS A 725 56.466 -14.465 0.012 1.00 1.00 H new ATOM 0 HE3 LYS A 725 57.924 -13.497 -0.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 56.200 -11.953 -0.252 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 56.674 -12.174 -1.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 55.273 -12.935 -1.283 1.00 1.00 H new ATOM 671 N GLU A 726 55.647 -16.406 -6.778 1.00 1.00 N ATOM 672 CA GLU A 726 55.938 -16.848 -8.138 1.00 1.00 C ATOM 673 C GLU A 726 56.758 -15.795 -8.877 1.00 1.00 C ATOM 674 O GLU A 726 56.648 -15.650 -10.093 1.00 1.00 O ATOM 675 CB GLU A 726 54.633 -17.130 -8.888 1.00 1.00 C ATOM 676 CG GLU A 726 53.967 -18.364 -8.278 1.00 1.00 C ATOM 677 CD GLU A 726 52.617 -18.621 -8.935 1.00 1.00 C ATOM 678 OE1 GLU A 726 52.288 -17.907 -9.868 1.00 1.00 O ATOM 679 OE2 GLU A 726 51.935 -19.533 -8.499 1.00 1.00 O ATOM 0 H GLU A 726 55.370 -15.428 -6.699 1.00 1.00 H new ATOM 0 HA GLU A 726 56.522 -17.767 -8.090 1.00 1.00 H new ATOM 0 HB2 GLU A 726 53.966 -16.270 -8.821 1.00 1.00 H new ATOM 0 HB3 GLU A 726 54.835 -17.295 -9.946 1.00 1.00 H new ATOM 0 HG2 GLU A 726 54.612 -19.233 -8.406 1.00 1.00 H new ATOM 0 HG3 GLU A 726 53.835 -18.221 -7.206 1.00 1.00 H new ATOM 686 N PHE A 727 57.579 -15.065 -8.125 1.00 1.00 N ATOM 687 CA PHE A 727 58.419 -14.023 -8.706 1.00 1.00 C ATOM 688 C PHE A 727 59.137 -14.546 -9.945 1.00 1.00 C ATOM 689 O PHE A 727 59.310 -13.775 -10.874 1.00 1.00 O ATOM 690 CB PHE A 727 59.454 -13.547 -7.679 1.00 1.00 C ATOM 691 CG PHE A 727 60.454 -14.653 -7.418 1.00 1.00 C ATOM 692 CD1 PHE A 727 60.185 -15.621 -6.445 1.00 1.00 C ATOM 693 CD2 PHE A 727 61.643 -14.714 -8.158 1.00 1.00 C ATOM 694 CE1 PHE A 727 61.104 -16.651 -6.209 1.00 1.00 C ATOM 695 CE2 PHE A 727 62.562 -15.744 -7.920 1.00 1.00 C ATOM 696 CZ PHE A 727 62.291 -16.713 -6.948 1.00 1.00 C ATOM 697 OXT PHE A 727 59.511 -15.708 -9.944 1.00 1.00 O ATOM 0 H PHE A 727 57.680 -15.176 -7.116 1.00 1.00 H new ATOM 0 HA PHE A 727 57.781 -13.187 -8.992 1.00 1.00 H new ATOM 0 HB2 PHE A 727 59.967 -12.659 -8.049 1.00 1.00 H new ATOM 0 HB3 PHE A 727 58.957 -13.265 -6.751 1.00 1.00 H new ATOM 0 HD1 PHE A 727 59.268 -15.574 -5.876 1.00 1.00 H new ATOM 0 HD2 PHE A 727 61.850 -13.968 -8.911 1.00 1.00 H new ATOM 0 HE1 PHE A 727 60.897 -17.398 -5.457 1.00 1.00 H new ATOM 0 HE2 PHE A 727 63.480 -15.790 -8.487 1.00 1.00 H new ATOM 0 HZ PHE A 727 62.998 -17.509 -6.768 1.00 1.00 H new TER 707 PHE A 727