USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 687 SER OG : rot 180:sc= 0 USER MOD Single : A 689 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 SER OG : rot 86:sc= 1.23 USER MOD Single : A 701 MET CE :methyl 156:sc= -0.157 (180deg=-1.18) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 76:sc= 0.538 USER MOD Single : A 722 HIS : no HE2:sc= 0.541 K(o=0.54,f=-8.6!) USER MOD Single : A 725 LYS NZ :NH3+ -161:sc= -0.0234 (180deg=-0.391) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 685 30.736 -16.442 -32.433 1.00 1.00 N ATOM 2 CA PRO A 685 31.551 -16.009 -33.587 1.00 1.00 C ATOM 3 C PRO A 685 33.004 -16.390 -33.357 1.00 1.00 C ATOM 4 O PRO A 685 33.862 -16.111 -34.194 1.00 1.00 O ATOM 5 CB PRO A 685 31.430 -14.497 -33.725 1.00 1.00 C ATOM 6 CG PRO A 685 30.533 -14.066 -32.605 1.00 1.00 C ATOM 7 CD PRO A 685 29.839 -15.322 -32.048 1.00 1.00 C ATOM 0 HA PRO A 685 31.199 -16.495 -34.497 1.00 1.00 H new ATOM 0 HB2 PRO A 685 32.406 -14.017 -33.654 1.00 1.00 H new ATOM 0 HB3 PRO A 685 31.010 -14.223 -34.693 1.00 1.00 H new ATOM 0 HG2 PRO A 685 31.109 -13.570 -31.824 1.00 1.00 H new ATOM 0 HG3 PRO A 685 29.795 -13.348 -32.962 1.00 1.00 H new ATOM 0 HD2 PRO A 685 29.719 -15.263 -30.966 1.00 1.00 H new ATOM 0 HD3 PRO A 685 28.843 -15.447 -32.473 1.00 1.00 H new ATOM 17 N GLU A 686 33.274 -17.030 -32.224 1.00 1.00 N ATOM 18 CA GLU A 686 34.633 -17.447 -31.906 1.00 1.00 C ATOM 19 C GLU A 686 35.581 -16.254 -31.924 1.00 1.00 C ATOM 20 O GLU A 686 36.728 -16.369 -32.354 1.00 1.00 O ATOM 21 CB GLU A 686 35.098 -18.495 -32.920 1.00 1.00 C ATOM 22 CG GLU A 686 34.233 -19.748 -32.777 1.00 1.00 C ATOM 23 CD GLU A 686 34.539 -20.435 -31.452 1.00 1.00 C ATOM 24 OE1 GLU A 686 35.608 -20.189 -30.915 1.00 1.00 O ATOM 25 OE2 GLU A 686 33.704 -21.198 -30.994 1.00 1.00 O ATOM 0 H GLU A 686 32.578 -17.269 -31.518 1.00 1.00 H new ATOM 0 HA GLU A 686 34.641 -17.878 -30.905 1.00 1.00 H new ATOM 0 HB2 GLU A 686 35.021 -18.099 -33.932 1.00 1.00 H new ATOM 0 HB3 GLU A 686 36.147 -18.741 -32.753 1.00 1.00 H new ATOM 0 HG2 GLU A 686 33.177 -19.480 -32.823 1.00 1.00 H new ATOM 0 HG3 GLU A 686 34.425 -20.431 -33.605 1.00 1.00 H new ATOM 32 N SER A 687 35.099 -15.109 -31.453 1.00 1.00 N ATOM 33 CA SER A 687 35.928 -13.913 -31.426 1.00 1.00 C ATOM 34 C SER A 687 35.268 -12.805 -30.598 1.00 1.00 C ATOM 35 O SER A 687 34.639 -11.903 -31.150 1.00 1.00 O ATOM 36 CB SER A 687 36.162 -13.429 -32.857 1.00 1.00 C ATOM 37 OG SER A 687 37.214 -12.473 -32.860 1.00 1.00 O ATOM 0 H SER A 687 34.154 -14.985 -31.090 1.00 1.00 H new ATOM 0 HA SER A 687 36.882 -14.158 -30.959 1.00 1.00 H new ATOM 0 HB2 SER A 687 36.417 -14.270 -33.501 1.00 1.00 H new ATOM 0 HB3 SER A 687 35.250 -12.986 -33.258 1.00 1.00 H new ATOM 0 HG SER A 687 37.369 -12.160 -33.776 1.00 1.00 H new ATOM 43 N PRO A 688 35.403 -12.853 -29.293 1.00 1.00 N ATOM 44 CA PRO A 688 34.810 -11.823 -28.386 1.00 1.00 C ATOM 45 C PRO A 688 35.357 -10.422 -28.664 1.00 1.00 C ATOM 46 O PRO A 688 36.523 -10.265 -29.019 1.00 1.00 O ATOM 47 CB PRO A 688 35.211 -12.275 -26.977 1.00 1.00 C ATOM 48 CG PRO A 688 35.631 -13.703 -27.105 1.00 1.00 C ATOM 49 CD PRO A 688 36.129 -13.888 -28.538 1.00 1.00 C ATOM 0 HA PRO A 688 33.731 -11.751 -28.525 1.00 1.00 H new ATOM 0 HB2 PRO A 688 36.024 -11.663 -26.588 1.00 1.00 H new ATOM 0 HB3 PRO A 688 34.376 -12.175 -26.283 1.00 1.00 H new ATOM 0 HG2 PRO A 688 36.417 -13.941 -26.388 1.00 1.00 H new ATOM 0 HG3 PRO A 688 34.796 -14.372 -26.896 1.00 1.00 H new ATOM 0 HD2 PRO A 688 37.208 -13.752 -28.608 1.00 1.00 H new ATOM 0 HD3 PRO A 688 35.908 -14.887 -28.913 1.00 1.00 H new ATOM 57 N LYS A 689 34.508 -9.411 -28.494 1.00 1.00 N ATOM 58 CA LYS A 689 34.914 -8.022 -28.721 1.00 1.00 C ATOM 59 C LYS A 689 35.991 -7.596 -27.724 1.00 1.00 C ATOM 60 O LYS A 689 36.973 -6.951 -28.093 1.00 1.00 O ATOM 61 CB LYS A 689 33.697 -7.106 -28.586 1.00 1.00 C ATOM 62 CG LYS A 689 32.731 -7.372 -29.742 1.00 1.00 C ATOM 63 CD LYS A 689 31.509 -6.469 -29.589 1.00 1.00 C ATOM 64 CE LYS A 689 30.486 -6.783 -30.682 1.00 1.00 C ATOM 65 NZ LYS A 689 29.273 -5.950 -30.456 1.00 1.00 N ATOM 0 H LYS A 689 33.538 -9.525 -28.201 1.00 1.00 H new ATOM 0 HA LYS A 689 35.327 -7.943 -29.726 1.00 1.00 H new ATOM 0 HB2 LYS A 689 33.199 -7.283 -27.633 1.00 1.00 H new ATOM 0 HB3 LYS A 689 34.011 -6.062 -28.593 1.00 1.00 H new ATOM 0 HG2 LYS A 689 33.223 -7.180 -30.695 1.00 1.00 H new ATOM 0 HG3 LYS A 689 32.427 -8.419 -29.745 1.00 1.00 H new ATOM 0 HD2 LYS A 689 31.060 -6.614 -28.607 1.00 1.00 H new ATOM 0 HD3 LYS A 689 31.810 -5.423 -29.650 1.00 1.00 H new ATOM 0 HE2 LYS A 689 30.908 -6.576 -31.665 1.00 1.00 H new ATOM 0 HE3 LYS A 689 30.226 -7.841 -30.663 1.00 1.00 H new ATOM 0 HZ1 LYS A 689 28.569 -6.155 -31.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 689 28.870 -6.169 -29.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 689 29.531 -4.943 -30.494 1.00 1.00 H new ATOM 79 N GLY A 690 35.798 -7.958 -26.458 1.00 1.00 N ATOM 80 CA GLY A 690 36.759 -7.607 -25.414 1.00 1.00 C ATOM 81 C GLY A 690 36.385 -8.259 -24.084 1.00 1.00 C ATOM 82 O GLY A 690 35.528 -9.139 -24.034 1.00 1.00 O ATOM 0 H GLY A 690 34.992 -8.490 -26.131 1.00 1.00 H new ATOM 0 HA2 GLY A 690 37.758 -7.927 -25.712 1.00 1.00 H new ATOM 0 HA3 GLY A 690 36.793 -6.524 -25.295 1.00 1.00 H new ATOM 86 N PRO A 691 37.014 -7.850 -23.013 1.00 1.00 N ATOM 87 CA PRO A 691 36.745 -8.413 -21.657 1.00 1.00 C ATOM 88 C PRO A 691 35.305 -8.173 -21.208 1.00 1.00 C ATOM 89 O PRO A 691 34.723 -7.124 -21.484 1.00 1.00 O ATOM 90 CB PRO A 691 37.721 -7.672 -20.734 1.00 1.00 C ATOM 91 CG PRO A 691 38.730 -7.033 -21.627 1.00 1.00 C ATOM 92 CD PRO A 691 38.052 -6.814 -22.976 1.00 1.00 C ATOM 0 HA PRO A 691 36.879 -9.495 -21.643 1.00 1.00 H new ATOM 0 HB2 PRO A 691 37.200 -6.924 -20.136 1.00 1.00 H new ATOM 0 HB3 PRO A 691 38.198 -8.361 -20.037 1.00 1.00 H new ATOM 0 HG2 PRO A 691 39.072 -6.086 -21.208 1.00 1.00 H new ATOM 0 HG3 PRO A 691 39.608 -7.669 -21.735 1.00 1.00 H new ATOM 0 HD2 PRO A 691 37.624 -5.815 -23.052 1.00 1.00 H new ATOM 0 HD3 PRO A 691 38.756 -6.922 -23.801 1.00 1.00 H new ATOM 100 N ASP A 692 34.744 -9.146 -20.496 1.00 1.00 N ATOM 101 CA ASP A 692 33.380 -9.030 -19.993 1.00 1.00 C ATOM 102 C ASP A 692 33.298 -9.570 -18.570 1.00 1.00 C ATOM 103 O ASP A 692 32.797 -8.902 -17.668 1.00 1.00 O ATOM 104 CB ASP A 692 32.422 -9.822 -20.881 1.00 1.00 C ATOM 105 CG ASP A 692 32.236 -9.111 -22.215 1.00 1.00 C ATOM 106 OD1 ASP A 692 32.606 -7.951 -22.303 1.00 1.00 O ATOM 107 OD2 ASP A 692 31.723 -9.736 -23.129 1.00 1.00 O ATOM 0 H ASP A 692 35.211 -10.020 -20.255 1.00 1.00 H new ATOM 0 HA ASP A 692 33.099 -7.977 -20.001 1.00 1.00 H new ATOM 0 HB2 ASP A 692 32.813 -10.826 -21.047 1.00 1.00 H new ATOM 0 HB3 ASP A 692 31.459 -9.933 -20.382 1.00 1.00 H new ATOM 112 N ILE A 693 33.845 -10.761 -18.377 1.00 1.00 N ATOM 113 CA ILE A 693 33.886 -11.372 -17.057 1.00 1.00 C ATOM 114 C ILE A 693 34.749 -10.501 -16.148 1.00 1.00 C ATOM 115 O ILE A 693 34.434 -10.300 -14.977 1.00 1.00 O ATOM 116 CB ILE A 693 34.468 -12.778 -17.144 1.00 1.00 C ATOM 117 CG1 ILE A 693 33.503 -13.676 -17.922 1.00 1.00 C ATOM 118 CG2 ILE A 693 34.656 -13.329 -15.733 1.00 1.00 C ATOM 119 CD1 ILE A 693 34.188 -15.000 -18.265 1.00 1.00 C ATOM 0 H ILE A 693 34.266 -11.323 -19.117 1.00 1.00 H new ATOM 0 HA ILE A 693 32.877 -11.447 -16.652 1.00 1.00 H new ATOM 0 HB ILE A 693 35.430 -12.751 -17.656 1.00 1.00 H new ATOM 0 HG12 ILE A 693 32.608 -13.862 -17.329 1.00 1.00 H new ATOM 0 HG13 ILE A 693 33.182 -13.175 -18.835 1.00 1.00 H new ATOM 0 HG21 ILE A 693 35.072 -14.335 -15.788 1.00 1.00 H new ATOM 0 HG22 ILE A 693 35.337 -12.684 -15.178 1.00 1.00 H new ATOM 0 HG23 ILE A 693 33.693 -13.362 -15.224 1.00 1.00 H new ATOM 0 HD11 ILE A 693 33.496 -15.635 -18.819 1.00 1.00 H new ATOM 0 HD12 ILE A 693 35.070 -14.806 -18.875 1.00 1.00 H new ATOM 0 HD13 ILE A 693 34.487 -15.504 -17.346 1.00 1.00 H new ATOM 131 N LEU A 694 35.856 -10.014 -16.696 1.00 1.00 N ATOM 132 CA LEU A 694 36.777 -9.187 -15.929 1.00 1.00 C ATOM 133 C LEU A 694 36.074 -7.929 -15.450 1.00 1.00 C ATOM 134 O LEU A 694 36.269 -7.499 -14.317 1.00 1.00 O ATOM 135 CB LEU A 694 37.994 -8.814 -16.782 1.00 1.00 C ATOM 136 CG LEU A 694 38.970 -9.995 -16.851 1.00 1.00 C ATOM 137 CD1 LEU A 694 40.088 -9.656 -17.828 1.00 1.00 C ATOM 138 CD2 LEU A 694 39.589 -10.270 -15.475 1.00 1.00 C ATOM 0 H LEU A 694 36.136 -10.177 -17.663 1.00 1.00 H new ATOM 0 HA LEU A 694 37.117 -9.755 -15.063 1.00 1.00 H new ATOM 0 HB2 LEU A 694 37.673 -8.538 -17.786 1.00 1.00 H new ATOM 0 HB3 LEU A 694 38.493 -7.944 -16.356 1.00 1.00 H new ATOM 0 HG LEU A 694 38.424 -10.880 -17.178 1.00 1.00 H new ATOM 0 HD11 LEU A 694 40.788 -10.490 -17.884 1.00 1.00 H new ATOM 0 HD12 LEU A 694 39.665 -9.470 -18.815 1.00 1.00 H new ATOM 0 HD13 LEU A 694 40.613 -8.765 -17.485 1.00 1.00 H new ATOM 0 HD21 LEU A 694 40.278 -11.112 -15.548 1.00 1.00 H new ATOM 0 HD22 LEU A 694 40.130 -9.386 -15.136 1.00 1.00 H new ATOM 0 HD23 LEU A 694 38.800 -10.508 -14.762 1.00 1.00 H new ATOM 150 N VAL A 695 35.240 -7.354 -16.305 1.00 1.00 N ATOM 151 CA VAL A 695 34.493 -6.160 -15.949 1.00 1.00 C ATOM 152 C VAL A 695 33.559 -6.477 -14.794 1.00 1.00 C ATOM 153 O VAL A 695 33.416 -5.690 -13.859 1.00 1.00 O ATOM 154 CB VAL A 695 33.677 -5.678 -17.146 1.00 1.00 C ATOM 155 CG1 VAL A 695 32.795 -4.500 -16.731 1.00 1.00 C ATOM 156 CG2 VAL A 695 34.625 -5.232 -18.256 1.00 1.00 C ATOM 0 H VAL A 695 35.065 -7.696 -17.250 1.00 1.00 H new ATOM 0 HA VAL A 695 35.190 -5.376 -15.654 1.00 1.00 H new ATOM 0 HB VAL A 695 33.046 -6.492 -17.504 1.00 1.00 H new ATOM 0 HG11 VAL A 695 32.215 -4.160 -17.589 1.00 1.00 H new ATOM 0 HG12 VAL A 695 32.118 -4.814 -15.937 1.00 1.00 H new ATOM 0 HG13 VAL A 695 33.423 -3.685 -16.371 1.00 1.00 H new ATOM 0 HG21 VAL A 695 34.046 -4.887 -19.112 1.00 1.00 H new ATOM 0 HG22 VAL A 695 35.254 -4.419 -17.893 1.00 1.00 H new ATOM 0 HG23 VAL A 695 35.253 -6.070 -18.557 1.00 1.00 H new ATOM 166 N VAL A 696 32.908 -7.632 -14.879 1.00 1.00 N ATOM 167 CA VAL A 696 31.970 -8.051 -13.848 1.00 1.00 C ATOM 168 C VAL A 696 32.684 -8.390 -12.542 1.00 1.00 C ATOM 169 O VAL A 696 32.224 -8.003 -11.469 1.00 1.00 O ATOM 170 CB VAL A 696 31.167 -9.259 -14.327 1.00 1.00 C ATOM 171 CG1 VAL A 696 30.337 -9.803 -13.166 1.00 1.00 C ATOM 172 CG2 VAL A 696 30.232 -8.826 -15.457 1.00 1.00 C ATOM 0 H VAL A 696 33.013 -8.292 -15.650 1.00 1.00 H new ATOM 0 HA VAL A 696 31.295 -7.217 -13.657 1.00 1.00 H new ATOM 0 HB VAL A 696 31.845 -10.032 -14.688 1.00 1.00 H new ATOM 0 HG11 VAL A 696 29.762 -10.666 -13.503 1.00 1.00 H new ATOM 0 HG12 VAL A 696 31.000 -10.103 -12.354 1.00 1.00 H new ATOM 0 HG13 VAL A 696 29.656 -9.029 -12.811 1.00 1.00 H new ATOM 0 HG21 VAL A 696 29.657 -9.685 -15.802 1.00 1.00 H new ATOM 0 HG22 VAL A 696 29.552 -8.057 -15.092 1.00 1.00 H new ATOM 0 HG23 VAL A 696 30.820 -8.427 -16.283 1.00 1.00 H new ATOM 182 N LEU A 697 33.804 -9.104 -12.631 1.00 1.00 N ATOM 183 CA LEU A 697 34.550 -9.466 -11.426 1.00 1.00 C ATOM 184 C LEU A 697 34.988 -8.206 -10.688 1.00 1.00 C ATOM 185 O LEU A 697 34.891 -8.123 -9.462 1.00 1.00 O ATOM 186 CB LEU A 697 35.796 -10.269 -11.819 1.00 1.00 C ATOM 187 CG LEU A 697 36.583 -10.677 -10.568 1.00 1.00 C ATOM 188 CD1 LEU A 697 35.729 -11.592 -9.694 1.00 1.00 C ATOM 189 CD2 LEU A 697 37.841 -11.428 -10.995 1.00 1.00 C ATOM 0 H LEU A 697 34.209 -9.438 -13.505 1.00 1.00 H new ATOM 0 HA LEU A 697 33.909 -10.064 -10.778 1.00 1.00 H new ATOM 0 HB2 LEU A 697 35.503 -11.157 -12.378 1.00 1.00 H new ATOM 0 HB3 LEU A 697 36.429 -9.673 -12.477 1.00 1.00 H new ATOM 0 HG LEU A 697 36.851 -9.785 -10.002 1.00 1.00 H new ATOM 0 HD11 LEU A 697 36.294 -11.879 -8.807 1.00 1.00 H new ATOM 0 HD12 LEU A 697 34.823 -11.066 -9.393 1.00 1.00 H new ATOM 0 HD13 LEU A 697 35.460 -12.486 -10.257 1.00 1.00 H new ATOM 0 HD21 LEU A 697 38.407 -11.722 -10.111 1.00 1.00 H new ATOM 0 HD22 LEU A 697 37.560 -12.318 -11.558 1.00 1.00 H new ATOM 0 HD23 LEU A 697 38.456 -10.781 -11.621 1.00 1.00 H new ATOM 201 N LEU A 698 35.486 -7.235 -11.434 1.00 1.00 N ATOM 202 CA LEU A 698 35.949 -5.990 -10.842 1.00 1.00 C ATOM 203 C LEU A 698 34.789 -5.237 -10.198 1.00 1.00 C ATOM 204 O LEU A 698 34.923 -4.675 -9.111 1.00 1.00 O ATOM 205 CB LEU A 698 36.581 -5.121 -11.931 1.00 1.00 C ATOM 206 CG LEU A 698 37.891 -5.769 -12.410 1.00 1.00 C ATOM 207 CD1 LEU A 698 38.391 -5.053 -13.666 1.00 1.00 C ATOM 208 CD2 LEU A 698 38.966 -5.674 -11.321 1.00 1.00 C ATOM 0 H LEU A 698 35.580 -7.283 -12.448 1.00 1.00 H new ATOM 0 HA LEU A 698 36.685 -6.217 -10.071 1.00 1.00 H new ATOM 0 HB2 LEU A 698 35.891 -5.009 -12.768 1.00 1.00 H new ATOM 0 HB3 LEU A 698 36.778 -4.121 -11.544 1.00 1.00 H new ATOM 0 HG LEU A 698 37.697 -6.818 -12.631 1.00 1.00 H new ATOM 0 HD11 LEU A 698 39.319 -5.515 -14.003 1.00 1.00 H new ATOM 0 HD12 LEU A 698 37.641 -5.131 -14.453 1.00 1.00 H new ATOM 0 HD13 LEU A 698 38.570 -4.002 -13.439 1.00 1.00 H new ATOM 0 HD21 LEU A 698 39.886 -6.137 -11.677 1.00 1.00 H new ATOM 0 HD22 LEU A 698 39.154 -4.626 -11.086 1.00 1.00 H new ATOM 0 HD23 LEU A 698 38.623 -6.191 -10.425 1.00 1.00 H new ATOM 220 N SER A 699 33.658 -5.211 -10.895 1.00 1.00 N ATOM 221 CA SER A 699 32.491 -4.494 -10.393 1.00 1.00 C ATOM 222 C SER A 699 32.053 -5.011 -9.025 1.00 1.00 C ATOM 223 O SER A 699 31.829 -4.220 -8.106 1.00 1.00 O ATOM 224 CB SER A 699 31.332 -4.646 -11.378 1.00 1.00 C ATOM 225 OG SER A 699 31.662 -4.000 -12.601 1.00 1.00 O ATOM 0 H SER A 699 33.525 -5.671 -11.796 1.00 1.00 H new ATOM 0 HA SER A 699 32.768 -3.445 -10.289 1.00 1.00 H new ATOM 0 HB2 SER A 699 31.128 -5.702 -11.556 1.00 1.00 H new ATOM 0 HB3 SER A 699 30.425 -4.212 -10.958 1.00 1.00 H new ATOM 0 HG SER A 699 32.162 -4.619 -13.173 1.00 1.00 H new ATOM 231 N VAL A 700 31.939 -6.330 -8.877 1.00 1.00 N ATOM 232 CA VAL A 700 31.531 -6.894 -7.594 1.00 1.00 C ATOM 233 C VAL A 700 32.592 -6.603 -6.542 1.00 1.00 C ATOM 234 O VAL A 700 32.271 -6.277 -5.398 1.00 1.00 O ATOM 235 CB VAL A 700 31.290 -8.406 -7.705 1.00 1.00 C ATOM 236 CG1 VAL A 700 30.094 -8.666 -8.619 1.00 1.00 C ATOM 237 CG2 VAL A 700 32.514 -9.097 -8.302 1.00 1.00 C ATOM 0 H VAL A 700 32.119 -7.014 -9.612 1.00 1.00 H new ATOM 0 HA VAL A 700 30.592 -6.427 -7.296 1.00 1.00 H new ATOM 0 HB VAL A 700 31.099 -8.800 -6.707 1.00 1.00 H new ATOM 0 HG11 VAL A 700 29.923 -9.740 -8.698 1.00 1.00 H new ATOM 0 HG12 VAL A 700 29.208 -8.187 -8.203 1.00 1.00 H new ATOM 0 HG13 VAL A 700 30.297 -8.257 -9.609 1.00 1.00 H new ATOM 0 HG21 VAL A 700 32.328 -10.169 -8.374 1.00 1.00 H new ATOM 0 HG22 VAL A 700 32.710 -8.695 -9.296 1.00 1.00 H new ATOM 0 HG23 VAL A 700 33.379 -8.921 -7.662 1.00 1.00 H new ATOM 247 N MET A 701 33.858 -6.729 -6.921 1.00 1.00 N ATOM 248 CA MET A 701 34.936 -6.478 -5.978 1.00 1.00 C ATOM 249 C MET A 701 34.904 -5.031 -5.492 1.00 1.00 C ATOM 250 O MET A 701 35.132 -4.761 -4.311 1.00 1.00 O ATOM 251 CB MET A 701 36.290 -6.782 -6.632 1.00 1.00 C ATOM 252 CG MET A 701 36.508 -8.297 -6.686 1.00 1.00 C ATOM 253 SD MET A 701 38.026 -8.659 -7.604 1.00 1.00 S ATOM 254 CE MET A 701 39.192 -7.874 -6.462 1.00 1.00 C ATOM 0 H MET A 701 34.158 -6.999 -7.858 1.00 1.00 H new ATOM 0 HA MET A 701 34.799 -7.134 -5.118 1.00 1.00 H new ATOM 0 HB2 MET A 701 36.321 -6.364 -7.638 1.00 1.00 H new ATOM 0 HB3 MET A 701 37.093 -6.309 -6.066 1.00 1.00 H new ATOM 0 HG2 MET A 701 36.577 -8.701 -5.676 1.00 1.00 H new ATOM 0 HG3 MET A 701 35.657 -8.780 -7.166 1.00 1.00 H new ATOM 0 HE1 MET A 701 40.178 -8.321 -6.585 1.00 1.00 H new ATOM 0 HE2 MET A 701 39.248 -6.807 -6.676 1.00 1.00 H new ATOM 0 HE3 MET A 701 38.852 -8.021 -5.437 1.00 1.00 H new ATOM 264 N GLY A 702 34.607 -4.104 -6.398 1.00 1.00 N ATOM 265 CA GLY A 702 34.540 -2.696 -6.021 1.00 1.00 C ATOM 266 C GLY A 702 33.460 -2.472 -4.966 1.00 1.00 C ATOM 267 O GLY A 702 33.659 -1.736 -4.000 1.00 1.00 O ATOM 0 H GLY A 702 34.412 -4.297 -7.381 1.00 1.00 H new ATOM 0 HA2 GLY A 702 35.506 -2.371 -5.635 1.00 1.00 H new ATOM 0 HA3 GLY A 702 34.328 -2.088 -6.901 1.00 1.00 H new ATOM 271 N ALA A 703 32.310 -3.103 -5.179 1.00 1.00 N ATOM 272 CA ALA A 703 31.186 -2.953 -4.259 1.00 1.00 C ATOM 273 C ALA A 703 31.581 -3.363 -2.843 1.00 1.00 C ATOM 274 O ALA A 703 31.187 -2.716 -1.874 1.00 1.00 O ATOM 275 CB ALA A 703 30.006 -3.803 -4.733 1.00 1.00 C ATOM 0 H ALA A 703 32.131 -3.718 -5.973 1.00 1.00 H new ATOM 0 HA ALA A 703 30.895 -1.903 -4.245 1.00 1.00 H new ATOM 0 HB1 ALA A 703 29.172 -3.685 -4.041 1.00 1.00 H new ATOM 0 HB2 ALA A 703 29.701 -3.479 -5.728 1.00 1.00 H new ATOM 0 HB3 ALA A 703 30.303 -4.851 -4.768 1.00 1.00 H new ATOM 281 N ILE A 704 32.358 -4.437 -2.735 1.00 1.00 N ATOM 282 CA ILE A 704 32.794 -4.912 -1.423 1.00 1.00 C ATOM 283 C ILE A 704 33.689 -3.874 -0.745 1.00 1.00 C ATOM 284 O ILE A 704 33.556 -3.613 0.449 1.00 1.00 O ATOM 285 CB ILE A 704 33.549 -6.235 -1.568 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.565 -7.332 -1.998 1.00 1.00 C ATOM 287 CG2 ILE A 704 34.193 -6.616 -0.230 1.00 1.00 C ATOM 288 CD1 ILE A 704 33.340 -8.576 -2.437 1.00 1.00 C ATOM 0 H ILE A 704 32.695 -4.988 -3.525 1.00 1.00 H new ATOM 0 HA ILE A 704 31.912 -5.069 -0.803 1.00 1.00 H new ATOM 0 HB ILE A 704 34.331 -6.127 -2.320 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.898 -7.580 -1.172 1.00 1.00 H new ATOM 0 HG13 ILE A 704 31.940 -6.973 -2.816 1.00 1.00 H new ATOM 0 HG21 ILE A 704 34.729 -7.559 -0.340 1.00 1.00 H new ATOM 0 HG22 ILE A 704 34.890 -5.835 0.074 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.418 -6.725 0.529 1.00 1.00 H new ATOM 0 HD11 ILE A 704 32.639 -9.353 -2.742 1.00 1.00 H new ATOM 0 HD12 ILE A 704 33.989 -8.323 -3.276 1.00 1.00 H new ATOM 0 HD13 ILE A 704 33.946 -8.939 -1.607 1.00 1.00 H new ATOM 300 N LEU A 705 34.616 -3.299 -1.508 1.00 1.00 N ATOM 301 CA LEU A 705 35.532 -2.308 -0.949 1.00 1.00 C ATOM 302 C LEU A 705 34.784 -1.062 -0.462 1.00 1.00 C ATOM 303 O LEU A 705 35.052 -0.564 0.629 1.00 1.00 O ATOM 304 CB LEU A 705 36.571 -1.883 -2.001 1.00 1.00 C ATOM 305 CG LEU A 705 37.494 -3.063 -2.346 1.00 1.00 C ATOM 306 CD1 LEU A 705 38.411 -2.682 -3.512 1.00 1.00 C ATOM 307 CD2 LEU A 705 38.351 -3.443 -1.129 1.00 1.00 C ATOM 0 H LEU A 705 34.752 -3.498 -2.499 1.00 1.00 H new ATOM 0 HA LEU A 705 36.031 -2.774 -0.099 1.00 1.00 H new ATOM 0 HB2 LEU A 705 36.065 -1.533 -2.901 1.00 1.00 H new ATOM 0 HB3 LEU A 705 37.162 -1.049 -1.622 1.00 1.00 H new ATOM 0 HG LEU A 705 36.877 -3.916 -2.629 1.00 1.00 H new ATOM 0 HD11 LEU A 705 39.063 -3.522 -3.752 1.00 1.00 H new ATOM 0 HD12 LEU A 705 37.806 -2.431 -4.384 1.00 1.00 H new ATOM 0 HD13 LEU A 705 39.018 -1.821 -3.232 1.00 1.00 H new ATOM 0 HD21 LEU A 705 39.000 -4.280 -1.388 1.00 1.00 H new ATOM 0 HD22 LEU A 705 38.961 -2.589 -0.833 1.00 1.00 H new ATOM 0 HD23 LEU A 705 37.702 -3.730 -0.302 1.00 1.00 H new ATOM 319 N LEU A 706 33.857 -0.546 -1.275 1.00 1.00 N ATOM 320 CA LEU A 706 33.109 0.664 -0.906 1.00 1.00 C ATOM 321 C LEU A 706 32.225 0.468 0.330 1.00 1.00 C ATOM 322 O LEU A 706 32.167 1.343 1.191 1.00 1.00 O ATOM 323 CB LEU A 706 32.243 1.142 -2.083 1.00 1.00 C ATOM 324 CG LEU A 706 33.039 2.109 -2.981 1.00 1.00 C ATOM 325 CD1 LEU A 706 33.264 3.443 -2.258 1.00 1.00 C ATOM 326 CD2 LEU A 706 34.396 1.499 -3.344 1.00 1.00 C ATOM 0 H LEU A 706 33.607 -0.940 -2.182 1.00 1.00 H new ATOM 0 HA LEU A 706 33.854 1.420 -0.658 1.00 1.00 H new ATOM 0 HB2 LEU A 706 31.909 0.285 -2.668 1.00 1.00 H new ATOM 0 HB3 LEU A 706 31.349 1.639 -1.706 1.00 1.00 H new ATOM 0 HG LEU A 706 32.464 2.283 -3.891 1.00 1.00 H new ATOM 0 HD11 LEU A 706 33.827 4.116 -2.904 1.00 1.00 H new ATOM 0 HD12 LEU A 706 32.301 3.893 -2.017 1.00 1.00 H new ATOM 0 HD13 LEU A 706 33.824 3.269 -1.339 1.00 1.00 H new ATOM 0 HD21 LEU A 706 34.948 2.192 -3.979 1.00 1.00 H new ATOM 0 HD22 LEU A 706 34.965 1.309 -2.434 1.00 1.00 H new ATOM 0 HD23 LEU A 706 34.242 0.562 -3.878 1.00 1.00 H new ATOM 338 N ILE A 707 31.548 -0.668 0.437 1.00 1.00 N ATOM 339 CA ILE A 707 30.701 -0.908 1.604 1.00 1.00 C ATOM 340 C ILE A 707 31.557 -1.161 2.847 1.00 1.00 C ATOM 341 O ILE A 707 31.242 -0.681 3.937 1.00 1.00 O ATOM 342 CB ILE A 707 29.751 -2.080 1.345 1.00 1.00 C ATOM 343 CG1 ILE A 707 28.784 -2.247 2.515 1.00 1.00 C ATOM 344 CG2 ILE A 707 30.547 -3.364 1.181 1.00 1.00 C ATOM 345 CD1 ILE A 707 27.654 -3.195 2.103 1.00 1.00 C ATOM 0 H ILE A 707 31.565 -1.422 -0.250 1.00 1.00 H new ATOM 0 HA ILE A 707 30.099 -0.017 1.784 1.00 1.00 H new ATOM 0 HB ILE A 707 29.189 -1.872 0.435 1.00 1.00 H new ATOM 0 HG12 ILE A 707 29.310 -2.644 3.383 1.00 1.00 H new ATOM 0 HG13 ILE A 707 28.375 -1.279 2.805 1.00 1.00 H new ATOM 0 HG21 ILE A 707 29.865 -4.194 0.997 1.00 1.00 H new ATOM 0 HG22 ILE A 707 31.231 -3.263 0.338 1.00 1.00 H new ATOM 0 HG23 ILE A 707 31.117 -3.557 2.090 1.00 1.00 H new ATOM 0 HD11 ILE A 707 26.961 -3.318 2.935 1.00 1.00 H new ATOM 0 HD12 ILE A 707 27.123 -2.778 1.247 1.00 1.00 H new ATOM 0 HD13 ILE A 707 28.073 -4.165 1.834 1.00 1.00 H new ATOM 357 N GLY A 708 32.648 -1.910 2.674 1.00 1.00 N ATOM 358 CA GLY A 708 33.535 -2.205 3.797 1.00 1.00 C ATOM 359 C GLY A 708 34.049 -0.912 4.428 1.00 1.00 C ATOM 360 O GLY A 708 34.117 -0.795 5.651 1.00 1.00 O ATOM 0 H GLY A 708 32.934 -2.316 1.783 1.00 1.00 H new ATOM 0 HA2 GLY A 708 33.002 -2.794 4.544 1.00 1.00 H new ATOM 0 HA3 GLY A 708 34.376 -2.809 3.455 1.00 1.00 H new ATOM 364 N LEU A 709 34.422 0.051 3.592 1.00 1.00 N ATOM 365 CA LEU A 709 34.930 1.325 4.099 1.00 1.00 C ATOM 366 C LEU A 709 33.845 2.059 4.886 1.00 1.00 C ATOM 367 O LEU A 709 34.107 2.630 5.945 1.00 1.00 O ATOM 368 CB LEU A 709 35.393 2.209 2.932 1.00 1.00 C ATOM 369 CG LEU A 709 36.759 1.741 2.413 1.00 1.00 C ATOM 370 CD1 LEU A 709 37.141 2.558 1.176 1.00 1.00 C ATOM 371 CD2 LEU A 709 37.830 1.927 3.494 1.00 1.00 C ATOM 0 H LEU A 709 34.384 -0.021 2.575 1.00 1.00 H new ATOM 0 HA LEU A 709 35.773 1.119 4.759 1.00 1.00 H new ATOM 0 HB2 LEU A 709 34.659 2.172 2.127 1.00 1.00 H new ATOM 0 HB3 LEU A 709 35.457 3.247 3.258 1.00 1.00 H new ATOM 0 HG LEU A 709 36.695 0.684 2.154 1.00 1.00 H new ATOM 0 HD11 LEU A 709 38.111 2.226 0.806 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.389 2.416 0.400 1.00 1.00 H new ATOM 0 HD13 LEU A 709 37.195 3.614 1.440 1.00 1.00 H new ATOM 0 HD21 LEU A 709 38.794 1.591 3.113 1.00 1.00 H new ATOM 0 HD22 LEU A 709 37.894 2.981 3.765 1.00 1.00 H new ATOM 0 HD23 LEU A 709 37.564 1.342 4.374 1.00 1.00 H new ATOM 383 N ALA A 710 32.631 2.044 4.354 1.00 1.00 N ATOM 384 CA ALA A 710 31.519 2.720 5.016 1.00 1.00 C ATOM 385 C ALA A 710 31.289 2.136 6.404 1.00 1.00 C ATOM 386 O ALA A 710 30.977 2.852 7.352 1.00 1.00 O ATOM 387 CB ALA A 710 30.255 2.556 4.181 1.00 1.00 C ATOM 0 H ALA A 710 32.390 1.579 3.479 1.00 1.00 H new ATOM 0 HA ALA A 710 31.762 3.778 5.116 1.00 1.00 H new ATOM 0 HB1 ALA A 710 29.425 3.061 4.675 1.00 1.00 H new ATOM 0 HB2 ALA A 710 30.411 2.994 3.195 1.00 1.00 H new ATOM 0 HB3 ALA A 710 30.024 1.496 4.075 1.00 1.00 H new ATOM 393 N ALA A 711 31.437 0.827 6.499 1.00 1.00 N ATOM 394 CA ALA A 711 31.241 0.142 7.766 1.00 1.00 C ATOM 395 C ALA A 711 32.291 0.602 8.771 1.00 1.00 C ATOM 396 O ALA A 711 32.001 0.780 9.954 1.00 1.00 O ATOM 397 CB ALA A 711 31.354 -1.360 7.533 1.00 1.00 C ATOM 0 H ALA A 711 31.691 0.219 5.720 1.00 1.00 H new ATOM 0 HA ALA A 711 30.255 0.375 8.167 1.00 1.00 H new ATOM 0 HB1 ALA A 711 31.209 -1.886 8.476 1.00 1.00 H new ATOM 0 HB2 ALA A 711 30.592 -1.676 6.820 1.00 1.00 H new ATOM 0 HB3 ALA A 711 32.342 -1.593 7.136 1.00 1.00 H new ATOM 403 N LEU A 712 33.511 0.780 8.285 1.00 1.00 N ATOM 404 CA LEU A 712 34.617 1.209 9.130 1.00 1.00 C ATOM 405 C LEU A 712 34.380 2.611 9.689 1.00 1.00 C ATOM 406 O LEU A 712 34.670 2.877 10.854 1.00 1.00 O ATOM 407 CB LEU A 712 35.917 1.191 8.317 1.00 1.00 C ATOM 408 CG LEU A 712 37.116 1.579 9.191 1.00 1.00 C ATOM 409 CD1 LEU A 712 37.262 0.597 10.359 1.00 1.00 C ATOM 410 CD2 LEU A 712 38.379 1.535 8.329 1.00 1.00 C ATOM 0 H LEU A 712 33.761 0.634 7.307 1.00 1.00 H new ATOM 0 HA LEU A 712 34.692 0.519 9.970 1.00 1.00 H new ATOM 0 HB2 LEU A 712 36.074 0.197 7.898 1.00 1.00 H new ATOM 0 HB3 LEU A 712 35.835 1.882 7.478 1.00 1.00 H new ATOM 0 HG LEU A 712 36.965 2.580 9.594 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.117 0.884 10.971 1.00 1.00 H new ATOM 0 HD12 LEU A 712 36.357 0.617 10.967 1.00 1.00 H new ATOM 0 HD13 LEU A 712 37.416 -0.410 9.971 1.00 1.00 H new ATOM 0 HD21 LEU A 712 39.243 1.809 8.935 1.00 1.00 H new ATOM 0 HD22 LEU A 712 38.516 0.528 7.936 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.279 2.237 7.501 1.00 1.00 H new ATOM 422 N LEU A 713 33.860 3.508 8.856 1.00 1.00 N ATOM 423 CA LEU A 713 33.606 4.877 9.299 1.00 1.00 C ATOM 424 C LEU A 713 32.453 4.933 10.287 1.00 1.00 C ATOM 425 O LEU A 713 32.493 5.672 11.267 1.00 1.00 O ATOM 426 CB LEU A 713 33.298 5.777 8.103 1.00 1.00 C ATOM 427 CG LEU A 713 34.572 5.963 7.264 1.00 1.00 C ATOM 428 CD1 LEU A 713 34.243 6.701 5.966 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.610 6.781 8.046 1.00 1.00 C ATOM 0 H LEU A 713 33.609 3.317 7.886 1.00 1.00 H new ATOM 0 HA LEU A 713 34.507 5.233 9.798 1.00 1.00 H new ATOM 0 HB2 LEU A 713 32.510 5.335 7.494 1.00 1.00 H new ATOM 0 HB3 LEU A 713 32.931 6.744 8.446 1.00 1.00 H new ATOM 0 HG LEU A 713 34.978 4.977 7.037 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.153 6.828 5.379 1.00 1.00 H new ATOM 0 HD12 LEU A 713 33.518 6.123 5.392 1.00 1.00 H new ATOM 0 HD13 LEU A 713 33.823 7.679 6.200 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.507 6.905 7.440 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.196 7.760 8.286 1.00 1.00 H new ATOM 0 HD23 LEU A 713 35.865 6.259 8.968 1.00 1.00 H new ATOM 441 N ILE A 714 31.432 4.142 10.021 1.00 1.00 N ATOM 442 CA ILE A 714 30.281 4.102 10.900 1.00 1.00 C ATOM 443 C ILE A 714 30.682 3.555 12.274 1.00 1.00 C ATOM 444 O ILE A 714 30.273 4.091 13.304 1.00 1.00 O ATOM 445 CB ILE A 714 29.188 3.241 10.281 1.00 1.00 C ATOM 446 CG1 ILE A 714 28.655 3.942 9.025 1.00 1.00 C ATOM 447 CG2 ILE A 714 28.056 3.065 11.293 1.00 1.00 C ATOM 448 CD1 ILE A 714 27.837 2.960 8.188 1.00 1.00 C ATOM 0 H ILE A 714 31.376 3.524 9.211 1.00 1.00 H new ATOM 0 HA ILE A 714 29.898 5.114 11.032 1.00 1.00 H new ATOM 0 HB ILE A 714 29.587 2.263 10.012 1.00 1.00 H new ATOM 0 HG12 ILE A 714 28.037 4.794 9.308 1.00 1.00 H new ATOM 0 HG13 ILE A 714 29.485 4.332 8.436 1.00 1.00 H new ATOM 0 HG21 ILE A 714 27.270 2.449 10.856 1.00 1.00 H new ATOM 0 HG22 ILE A 714 28.442 2.579 12.189 1.00 1.00 H new ATOM 0 HG23 ILE A 714 27.648 4.041 11.556 1.00 1.00 H new ATOM 0 HD11 ILE A 714 27.462 3.465 7.298 1.00 1.00 H new ATOM 0 HD12 ILE A 714 28.467 2.122 7.891 1.00 1.00 H new ATOM 0 HD13 ILE A 714 26.997 2.591 8.777 1.00 1.00 H new ATOM 460 N TRP A 715 31.496 2.493 12.283 1.00 1.00 N ATOM 461 CA TRP A 715 31.954 1.893 13.542 1.00 1.00 C ATOM 462 C TRP A 715 32.611 2.977 14.399 1.00 1.00 C ATOM 463 O TRP A 715 32.356 3.077 15.598 1.00 1.00 O ATOM 464 CB TRP A 715 32.966 0.776 13.231 1.00 1.00 C ATOM 465 CG TRP A 715 33.441 0.070 14.475 1.00 1.00 C ATOM 466 CD1 TRP A 715 32.920 0.189 15.725 1.00 1.00 C ATOM 467 CD2 TRP A 715 34.550 -0.870 14.590 1.00 1.00 C ATOM 468 NE1 TRP A 715 33.636 -0.627 16.587 1.00 1.00 N ATOM 469 CE2 TRP A 715 34.651 -1.295 15.935 1.00 1.00 C ATOM 470 CE3 TRP A 715 35.467 -1.387 13.660 1.00 1.00 C ATOM 471 CZ2 TRP A 715 35.630 -2.206 16.342 1.00 1.00 C ATOM 472 CZ3 TRP A 715 36.453 -2.302 14.065 1.00 1.00 C ATOM 473 CH2 TRP A 715 36.535 -2.710 15.403 1.00 1.00 C ATOM 0 H TRP A 715 31.848 2.035 11.442 1.00 1.00 H new ATOM 0 HA TRP A 715 31.111 1.467 14.086 1.00 1.00 H new ATOM 0 HB2 TRP A 715 32.508 0.052 12.558 1.00 1.00 H new ATOM 0 HB3 TRP A 715 33.823 1.201 12.708 1.00 1.00 H new ATOM 0 HD1 TRP A 715 32.085 0.816 16.001 1.00 1.00 H new ATOM 0 HE1 TRP A 715 33.436 -0.722 17.583 1.00 1.00 H new ATOM 0 HE3 TRP A 715 35.414 -1.079 12.626 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 35.687 -2.518 17.374 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 37.152 -2.693 13.341 1.00 1.00 H new ATOM 0 HH2 TRP A 715 37.296 -3.413 15.708 1.00 1.00 H new ATOM 484 N LYS A 716 33.471 3.771 13.777 1.00 1.00 N ATOM 485 CA LYS A 716 34.182 4.831 14.488 1.00 1.00 C ATOM 486 C LYS A 716 33.217 5.867 15.070 1.00 1.00 C ATOM 487 O LYS A 716 33.413 6.334 16.192 1.00 1.00 O ATOM 488 CB LYS A 716 35.185 5.484 13.512 1.00 1.00 C ATOM 489 CG LYS A 716 35.834 6.811 14.011 1.00 1.00 C ATOM 490 CD LYS A 716 36.927 6.614 15.090 1.00 1.00 C ATOM 491 CE LYS A 716 36.362 6.307 16.483 1.00 1.00 C ATOM 492 NZ LYS A 716 37.467 6.416 17.478 1.00 1.00 N ATOM 0 H LYS A 716 33.695 3.704 12.784 1.00 1.00 H new ATOM 0 HA LYS A 716 34.718 4.402 15.335 1.00 1.00 H new ATOM 0 HB2 LYS A 716 35.979 4.768 13.300 1.00 1.00 H new ATOM 0 HB3 LYS A 716 34.674 5.681 12.570 1.00 1.00 H new ATOM 0 HG2 LYS A 716 36.270 7.333 13.159 1.00 1.00 H new ATOM 0 HG3 LYS A 716 35.053 7.456 14.414 1.00 1.00 H new ATOM 0 HD2 LYS A 716 37.585 5.800 14.786 1.00 1.00 H new ATOM 0 HD3 LYS A 716 37.539 7.514 15.145 1.00 1.00 H new ATOM 0 HE2 LYS A 716 35.561 7.004 16.729 1.00 1.00 H new ATOM 0 HE3 LYS A 716 35.931 5.306 16.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 37.099 6.210 18.429 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 38.216 5.734 17.241 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 37.858 7.380 17.459 1.00 1.00 H new ATOM 506 N LEU A 717 32.193 6.241 14.310 1.00 1.00 N ATOM 507 CA LEU A 717 31.241 7.244 14.786 1.00 1.00 C ATOM 508 C LEU A 717 30.503 6.781 16.042 1.00 1.00 C ATOM 509 O LEU A 717 30.345 7.552 16.985 1.00 1.00 O ATOM 510 CB LEU A 717 30.218 7.545 13.694 1.00 1.00 C ATOM 511 CG LEU A 717 30.901 8.256 12.525 1.00 1.00 C ATOM 512 CD1 LEU A 717 29.916 8.354 11.362 1.00 1.00 C ATOM 513 CD2 LEU A 717 31.347 9.668 12.936 1.00 1.00 C ATOM 0 H LEU A 717 32.001 5.874 13.378 1.00 1.00 H new ATOM 0 HA LEU A 717 31.810 8.140 15.034 1.00 1.00 H new ATOM 0 HB2 LEU A 717 29.758 6.619 13.349 1.00 1.00 H new ATOM 0 HB3 LEU A 717 29.419 8.169 14.094 1.00 1.00 H new ATOM 0 HG LEU A 717 31.782 7.687 12.228 1.00 1.00 H new ATOM 0 HD11 LEU A 717 30.393 8.860 10.523 1.00 1.00 H new ATOM 0 HD12 LEU A 717 29.612 7.353 11.057 1.00 1.00 H new ATOM 0 HD13 LEU A 717 29.039 8.920 11.675 1.00 1.00 H new ATOM 0 HD21 LEU A 717 31.831 10.157 12.091 1.00 1.00 H new ATOM 0 HD22 LEU A 717 30.478 10.249 13.243 1.00 1.00 H new ATOM 0 HD23 LEU A 717 32.050 9.600 13.767 1.00 1.00 H new ATOM 525 N LEU A 718 30.060 5.527 16.063 1.00 1.00 N ATOM 526 CA LEU A 718 29.351 5.008 17.235 1.00 1.00 C ATOM 527 C LEU A 718 30.281 4.970 18.440 1.00 1.00 C ATOM 528 O LEU A 718 29.868 5.264 19.562 1.00 1.00 O ATOM 529 CB LEU A 718 28.788 3.606 16.956 1.00 1.00 C ATOM 530 CG LEU A 718 27.388 3.722 16.330 1.00 1.00 C ATOM 531 CD1 LEU A 718 26.382 4.280 17.351 1.00 1.00 C ATOM 532 CD2 LEU A 718 27.452 4.657 15.122 1.00 1.00 C ATOM 0 H LEU A 718 30.175 4.860 15.299 1.00 1.00 H new ATOM 0 HA LEU A 718 28.517 5.676 17.453 1.00 1.00 H new ATOM 0 HB2 LEU A 718 29.453 3.064 16.284 1.00 1.00 H new ATOM 0 HB3 LEU A 718 28.736 3.034 17.882 1.00 1.00 H new ATOM 0 HG LEU A 718 27.059 2.730 16.020 1.00 1.00 H new ATOM 0 HD11 LEU A 718 25.398 4.354 16.889 1.00 1.00 H new ATOM 0 HD12 LEU A 718 26.329 3.613 18.212 1.00 1.00 H new ATOM 0 HD13 LEU A 718 26.705 5.269 17.677 1.00 1.00 H new ATOM 0 HD21 LEU A 718 26.462 4.742 14.675 1.00 1.00 H new ATOM 0 HD22 LEU A 718 27.792 5.642 15.442 1.00 1.00 H new ATOM 0 HD23 LEU A 718 28.149 4.254 14.387 1.00 1.00 H new ATOM 544 N ILE A 719 31.529 4.605 18.208 1.00 1.00 N ATOM 545 CA ILE A 719 32.493 4.537 19.295 1.00 1.00 C ATOM 546 C ILE A 719 32.698 5.912 19.918 1.00 1.00 C ATOM 547 O ILE A 719 32.776 6.052 21.141 1.00 1.00 O ATOM 548 CB ILE A 719 33.829 4.002 18.784 1.00 1.00 C ATOM 549 CG1 ILE A 719 33.661 2.539 18.383 1.00 1.00 C ATOM 550 CG2 ILE A 719 34.865 4.095 19.902 1.00 1.00 C ATOM 551 CD1 ILE A 719 34.864 2.089 17.556 1.00 1.00 C ATOM 0 H ILE A 719 31.897 4.354 17.290 1.00 1.00 H new ATOM 0 HA ILE A 719 32.102 3.861 20.055 1.00 1.00 H new ATOM 0 HB ILE A 719 34.157 4.587 17.925 1.00 1.00 H new ATOM 0 HG12 ILE A 719 33.566 1.917 19.273 1.00 1.00 H new ATOM 0 HG13 ILE A 719 32.744 2.413 17.807 1.00 1.00 H new ATOM 0 HG21 ILE A 719 35.822 3.715 19.544 1.00 1.00 H new ATOM 0 HG22 ILE A 719 34.979 5.135 20.207 1.00 1.00 H new ATOM 0 HG23 ILE A 719 34.535 3.502 20.755 1.00 1.00 H new ATOM 0 HD11 ILE A 719 34.740 1.044 17.272 1.00 1.00 H new ATOM 0 HD12 ILE A 719 34.938 2.703 16.658 1.00 1.00 H new ATOM 0 HD13 ILE A 719 35.773 2.199 18.147 1.00 1.00 H new ATOM 563 N THR A 720 32.766 6.926 19.056 1.00 1.00 N ATOM 564 CA THR A 720 32.943 8.307 19.493 1.00 1.00 C ATOM 565 C THR A 720 31.756 8.772 20.339 1.00 1.00 C ATOM 566 O THR A 720 31.936 9.462 21.343 1.00 1.00 O ATOM 567 CB THR A 720 33.100 9.230 18.276 1.00 1.00 C ATOM 568 OG1 THR A 720 34.067 8.683 17.388 1.00 1.00 O ATOM 569 CG2 THR A 720 33.556 10.619 18.729 1.00 1.00 C ATOM 0 H THR A 720 32.700 6.814 18.044 1.00 1.00 H new ATOM 0 HA THR A 720 33.844 8.354 20.104 1.00 1.00 H new ATOM 0 HB THR A 720 32.140 9.316 17.767 1.00 1.00 H new ATOM 0 HG1 THR A 720 33.673 7.932 16.897 1.00 1.00 H new ATOM 0 HG21 THR A 720 33.665 11.268 17.860 1.00 1.00 H new ATOM 0 HG22 THR A 720 32.815 11.042 19.407 1.00 1.00 H new ATOM 0 HG23 THR A 720 34.514 10.538 19.243 1.00 1.00 H new ATOM 577 N ILE A 721 30.542 8.422 19.920 1.00 1.00 N ATOM 578 CA ILE A 721 29.328 8.835 20.626 1.00 1.00 C ATOM 579 C ILE A 721 29.253 8.257 22.031 1.00 1.00 C ATOM 580 O ILE A 721 28.858 8.955 22.964 1.00 1.00 O ATOM 581 CB ILE A 721 28.080 8.419 19.847 1.00 1.00 C ATOM 582 CG1 ILE A 721 27.996 9.227 18.536 1.00 1.00 C ATOM 583 CG2 ILE A 721 26.819 8.651 20.695 1.00 1.00 C ATOM 584 CD1 ILE A 721 27.830 10.736 18.802 1.00 1.00 C ATOM 0 H ILE A 721 30.371 7.851 19.092 1.00 1.00 H new ATOM 0 HA ILE A 721 29.370 9.921 20.705 1.00 1.00 H new ATOM 0 HB ILE A 721 28.146 7.357 19.610 1.00 1.00 H new ATOM 0 HG12 ILE A 721 28.898 9.059 17.947 1.00 1.00 H new ATOM 0 HG13 ILE A 721 27.156 8.868 17.941 1.00 1.00 H new ATOM 0 HG21 ILE A 721 25.938 8.350 20.127 1.00 1.00 H new ATOM 0 HG22 ILE A 721 26.881 8.060 21.609 1.00 1.00 H new ATOM 0 HG23 ILE A 721 26.742 9.708 20.951 1.00 1.00 H new ATOM 0 HD11 ILE A 721 27.775 11.269 17.853 1.00 1.00 H new ATOM 0 HD12 ILE A 721 26.914 10.907 19.368 1.00 1.00 H new ATOM 0 HD13 ILE A 721 28.683 11.101 19.374 1.00 1.00 H new ATOM 596 N HIS A 722 29.628 6.997 22.198 1.00 1.00 N ATOM 597 CA HIS A 722 29.572 6.410 23.526 1.00 1.00 C ATOM 598 C HIS A 722 30.370 7.275 24.494 1.00 1.00 C ATOM 599 O HIS A 722 29.900 7.594 25.586 1.00 1.00 O ATOM 600 CB HIS A 722 30.160 4.997 23.517 1.00 1.00 C ATOM 601 CG HIS A 722 29.217 4.043 22.834 1.00 1.00 C ATOM 602 ND1 HIS A 722 29.058 4.019 21.460 1.00 1.00 N ATOM 603 CD2 HIS A 722 28.403 3.048 23.320 1.00 1.00 C ATOM 604 CE1 HIS A 722 28.183 3.040 21.166 1.00 1.00 C ATOM 605 NE2 HIS A 722 27.754 2.414 22.262 1.00 1.00 N ATOM 0 H HIS A 722 29.963 6.380 21.458 1.00 1.00 H new ATOM 0 HA HIS A 722 28.529 6.357 23.840 1.00 1.00 H new ATOM 0 HB2 HIS A 722 31.121 4.999 23.003 1.00 1.00 H new ATOM 0 HB3 HIS A 722 30.346 4.666 24.539 1.00 1.00 H new ATOM 0 HD1 HIS A 722 29.521 4.633 20.790 1.00 1.00 H new ATOM 0 HD2 HIS A 722 28.284 2.796 24.363 1.00 1.00 H new ATOM 0 HE1 HIS A 722 27.867 2.792 20.164 1.00 1.00 H new ATOM 613 N ASP A 723 31.582 7.648 24.091 1.00 1.00 N ATOM 614 CA ASP A 723 32.440 8.471 24.932 1.00 1.00 C ATOM 615 C ASP A 723 32.383 9.929 24.500 1.00 1.00 C ATOM 616 O ASP A 723 32.849 10.294 23.421 1.00 1.00 O ATOM 617 CB ASP A 723 33.884 7.970 24.854 1.00 1.00 C ATOM 618 CG ASP A 723 34.720 8.624 25.949 1.00 1.00 C ATOM 619 OD1 ASP A 723 34.215 9.536 26.584 1.00 1.00 O ATOM 620 OD2 ASP A 723 35.847 8.201 26.140 1.00 1.00 O ATOM 0 H ASP A 723 31.989 7.394 23.191 1.00 1.00 H new ATOM 0 HA ASP A 723 32.083 8.397 25.959 1.00 1.00 H new ATOM 0 HB2 ASP A 723 33.908 6.886 24.964 1.00 1.00 H new ATOM 0 HB3 ASP A 723 34.306 8.200 23.876 1.00 1.00 H new ATOM 625 N ARG A 724 31.815 10.760 25.365 1.00 1.00 N ATOM 626 CA ARG A 724 31.705 12.183 25.087 1.00 1.00 C ATOM 627 C ARG A 724 32.993 12.895 25.456 1.00 1.00 C ATOM 628 O ARG A 724 33.602 12.601 26.484 1.00 1.00 O ATOM 629 CB ARG A 724 30.545 12.772 25.878 1.00 1.00 C ATOM 630 CG ARG A 724 29.243 12.194 25.341 1.00 1.00 C ATOM 631 CD ARG A 724 28.080 12.699 26.186 1.00 1.00 C ATOM 632 NE ARG A 724 28.105 12.074 27.504 1.00 1.00 N ATOM 633 CZ ARG A 724 27.388 12.568 28.506 1.00 1.00 C ATOM 634 NH1 ARG A 724 26.673 13.644 28.313 1.00 1.00 N ATOM 635 NH2 ARG A 724 27.413 11.994 29.680 1.00 1.00 N ATOM 0 H ARG A 724 31.425 10.472 26.262 1.00 1.00 H new ATOM 0 HA ARG A 724 31.523 12.320 24.021 1.00 1.00 H new ATOM 0 HB2 ARG A 724 30.653 12.539 26.937 1.00 1.00 H new ATOM 0 HB3 ARG A 724 30.541 13.858 25.790 1.00 1.00 H new ATOM 0 HG2 ARG A 724 29.104 12.486 24.300 1.00 1.00 H new ATOM 0 HG3 ARG A 724 29.278 11.105 25.365 1.00 1.00 H new ATOM 0 HD2 ARG A 724 28.139 13.783 26.288 1.00 1.00 H new ATOM 0 HD3 ARG A 724 27.136 12.477 25.688 1.00 1.00 H new ATOM 0 HE ARG A 724 28.681 11.246 27.658 1.00 1.00 H new ATOM 0 HH11 ARG A 724 26.669 14.097 27.399 1.00 1.00 H new ATOM 0 HH12 ARG A 724 26.119 14.032 29.076 1.00 1.00 H new ATOM 0 HH21 ARG A 724 27.985 11.163 29.829 1.00 1.00 H new ATOM 0 HH22 ARG A 724 26.860 12.377 30.447 1.00 1.00 H new ATOM 649 N LYS A 725 33.405 13.828 24.609 1.00 1.00 N ATOM 650 CA LYS A 725 34.629 14.578 24.850 1.00 1.00 C ATOM 651 C LYS A 725 34.304 15.989 25.332 1.00 1.00 C ATOM 652 O LYS A 725 33.293 16.572 24.937 1.00 1.00 O ATOM 653 CB LYS A 725 35.450 14.656 23.561 1.00 1.00 C ATOM 654 CG LYS A 725 35.843 13.241 23.128 1.00 1.00 C ATOM 655 CD LYS A 725 36.651 13.301 21.830 1.00 1.00 C ATOM 656 CE LYS A 725 37.011 11.880 21.389 1.00 1.00 C ATOM 657 NZ LYS A 725 37.933 11.264 22.385 1.00 1.00 N ATOM 0 H LYS A 725 32.912 14.083 23.753 1.00 1.00 H new ATOM 0 HA LYS A 725 35.205 14.066 25.621 1.00 1.00 H new ATOM 0 HB2 LYS A 725 34.871 15.142 22.776 1.00 1.00 H new ATOM 0 HB3 LYS A 725 36.342 15.262 23.720 1.00 1.00 H new ATOM 0 HG2 LYS A 725 36.431 12.761 23.911 1.00 1.00 H new ATOM 0 HG3 LYS A 725 34.949 12.634 22.983 1.00 1.00 H new ATOM 0 HD2 LYS A 725 36.073 13.800 21.052 1.00 1.00 H new ATOM 0 HD3 LYS A 725 37.557 13.888 21.980 1.00 1.00 H new ATOM 0 HE2 LYS A 725 36.107 11.278 21.295 1.00 1.00 H new ATOM 0 HE3 LYS A 725 37.483 11.902 20.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 725 38.425 10.457 21.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 725 38.631 11.970 22.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 725 37.387 10.934 23.206 1.00 1.00 H new ATOM 671 N GLU A 726 35.172 16.531 26.181 1.00 1.00 N ATOM 672 CA GLU A 726 34.989 17.877 26.713 1.00 1.00 C ATOM 673 C GLU A 726 35.072 18.908 25.593 1.00 1.00 C ATOM 674 O GLU A 726 34.295 19.861 25.560 1.00 1.00 O ATOM 675 CB GLU A 726 36.074 18.163 27.753 1.00 1.00 C ATOM 676 CG GLU A 726 35.850 17.268 28.972 1.00 1.00 C ATOM 677 CD GLU A 726 36.952 17.500 30.000 1.00 1.00 C ATOM 678 OE1 GLU A 726 37.798 18.345 29.754 1.00 1.00 O ATOM 679 OE2 GLU A 726 36.935 16.828 31.019 1.00 1.00 O ATOM 0 H GLU A 726 36.011 16.057 26.516 1.00 1.00 H new ATOM 0 HA GLU A 726 34.005 17.943 27.177 1.00 1.00 H new ATOM 0 HB2 GLU A 726 37.060 17.978 27.327 1.00 1.00 H new ATOM 0 HB3 GLU A 726 36.045 19.212 28.047 1.00 1.00 H new ATOM 0 HG2 GLU A 726 34.877 17.481 29.415 1.00 1.00 H new ATOM 0 HG3 GLU A 726 35.840 16.221 28.668 1.00 1.00 H new ATOM 686 N PHE A 727 36.013 18.702 24.670 1.00 1.00 N ATOM 687 CA PHE A 727 36.182 19.617 23.540 1.00 1.00 C ATOM 688 C PHE A 727 35.850 18.917 22.227 1.00 1.00 C ATOM 689 O PHE A 727 36.693 18.188 21.736 1.00 1.00 O ATOM 690 CB PHE A 727 37.618 20.149 23.483 1.00 1.00 C ATOM 691 CG PHE A 727 37.891 20.971 24.717 1.00 1.00 C ATOM 692 CD1 PHE A 727 37.262 22.211 24.882 1.00 1.00 C ATOM 693 CD2 PHE A 727 38.758 20.490 25.706 1.00 1.00 C ATOM 694 CE1 PHE A 727 37.501 22.969 26.033 1.00 1.00 C ATOM 695 CE2 PHE A 727 38.994 21.247 26.859 1.00 1.00 C ATOM 696 CZ PHE A 727 38.365 22.486 27.024 1.00 1.00 C ATOM 697 OXT PHE A 727 34.756 19.126 21.729 1.00 1.00 O ATOM 0 H PHE A 727 36.664 17.917 24.682 1.00 1.00 H new ATOM 0 HA PHE A 727 35.497 20.453 23.683 1.00 1.00 H new ATOM 0 HB2 PHE A 727 38.323 19.320 23.420 1.00 1.00 H new ATOM 0 HB3 PHE A 727 37.759 20.756 22.589 1.00 1.00 H new ATOM 0 HD1 PHE A 727 36.592 22.582 24.120 1.00 1.00 H new ATOM 0 HD2 PHE A 727 39.245 19.534 25.579 1.00 1.00 H new ATOM 0 HE1 PHE A 727 37.019 23.927 26.158 1.00 1.00 H new ATOM 0 HE2 PHE A 727 39.662 20.875 27.622 1.00 1.00 H new ATOM 0 HZ PHE A 727 38.546 23.069 27.915 1.00 1.00 H new TER 707 PHE A 727