USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 Set 1.1: A 80 THR OG1 : rot 180:sc= -1.16 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.268 K(o=-1.4,f=-4.5!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -116:sc= 0.131 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl -134:sc= -0.0532 (180deg=-0.694) USER MOD Single : A 90 LYS NZ :NH3+ 150:sc= -0.214 (180deg=-0.712) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 100:sc= -2.36! USER MOD Single : A 94 GLN : amide:sc= -0.0459 K(o=-0.046,f=-2.2!) USER MOD Single : A 100 ASN : amide:sc= -0.599 K(o=-0.6,f=-12!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 76:sc= 0.406 USER MOD Single : A 119 ASN : amide:sc= -0.0312 K(o=-0.031,f=-1.8!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 6.635 -32.485 0.076 1.00 0.00 N ATOM 2 CA GLY A -4 7.419 -33.539 0.782 1.00 0.00 C ATOM 3 C GLY A -4 8.898 -33.396 0.433 1.00 0.00 C ATOM 4 O GLY A -4 9.260 -32.679 -0.500 1.00 0.00 O ATOM 0 H1 GLY A -4 6.201 -31.849 0.775 1.00 0.00 H new ATOM 0 H2 GLY A -4 7.267 -31.939 -0.544 1.00 0.00 H new ATOM 0 H3 GLY A -4 5.890 -32.931 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A -4 7.279 -33.451 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A -4 7.061 -34.527 0.494 1.00 0.00 H new ATOM 10 N PRO A -3 9.751 -34.064 1.165 1.00 0.00 N ATOM 11 CA PRO A -3 11.227 -34.014 0.934 1.00 0.00 C ATOM 12 C PRO A -3 11.613 -34.639 -0.405 1.00 0.00 C ATOM 13 O PRO A -3 12.649 -34.306 -0.980 1.00 0.00 O ATOM 14 CB PRO A -3 11.809 -34.811 2.118 1.00 0.00 C ATOM 15 CG PRO A -3 10.696 -35.704 2.572 1.00 0.00 C ATOM 16 CD PRO A -3 9.400 -34.943 2.293 1.00 0.00 C ATOM 0 HA PRO A -3 11.607 -32.993 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A -3 12.680 -35.391 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A -3 12.133 -34.147 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A -3 10.714 -36.653 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A -3 10.791 -35.936 3.633 1.00 0.00 H new ATOM 0 HD2 PRO A -3 8.585 -35.620 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A -3 9.076 -34.370 3.162 1.00 0.00 H new ATOM 24 N LEU A -2 10.774 -35.544 -0.891 1.00 0.00 N ATOM 25 CA LEU A -2 11.046 -36.206 -2.156 1.00 0.00 C ATOM 26 C LEU A -2 10.779 -35.261 -3.320 1.00 0.00 C ATOM 27 O LEU A -2 9.712 -34.651 -3.403 1.00 0.00 O ATOM 28 CB LEU A -2 10.174 -37.460 -2.298 1.00 0.00 C ATOM 29 CG LEU A -2 10.482 -38.172 -3.627 1.00 0.00 C ATOM 30 CD1 LEU A -2 11.955 -38.618 -3.661 1.00 0.00 C ATOM 31 CD2 LEU A -2 9.566 -39.393 -3.769 1.00 0.00 C ATOM 0 H LEU A -2 9.909 -35.833 -0.433 1.00 0.00 H new ATOM 0 HA LEU A -2 12.096 -36.498 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A -2 10.358 -38.136 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A -2 9.120 -37.185 -2.260 1.00 0.00 H new ATOM 0 HG LEU A -2 10.306 -37.484 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A -2 12.161 -39.121 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A -2 12.602 -37.746 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A -2 12.147 -39.304 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A -2 9.780 -39.901 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A -2 9.741 -40.077 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A -2 8.525 -39.070 -3.760 1.00 0.00 H new ATOM 43 N GLY A -1 11.748 -35.149 -4.224 1.00 0.00 N ATOM 44 CA GLY A -1 11.603 -34.280 -5.388 1.00 0.00 C ATOM 45 C GLY A -1 12.067 -32.864 -5.075 1.00 0.00 C ATOM 46 O GLY A -1 11.266 -32.001 -4.719 1.00 0.00 O ATOM 0 H GLY A -1 12.637 -35.646 -4.174 1.00 0.00 H new ATOM 0 HA2 GLY A -1 12.183 -34.681 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A -1 10.560 -34.263 -5.705 1.00 0.00 H new ATOM 50 N SER A 0 13.366 -32.632 -5.212 1.00 0.00 N ATOM 51 CA SER A 0 13.930 -31.314 -4.942 1.00 0.00 C ATOM 52 C SER A 0 13.485 -30.313 -6.005 1.00 0.00 C ATOM 53 O SER A 0 13.514 -29.103 -5.787 1.00 0.00 O ATOM 54 CB SER A 0 15.456 -31.394 -4.914 1.00 0.00 C ATOM 55 OG SER A 0 15.863 -32.190 -3.809 1.00 0.00 O ATOM 0 H SER A 0 14.046 -33.333 -5.506 1.00 0.00 H new ATOM 0 HA SER A 0 13.569 -30.976 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 0 15.826 -31.825 -5.844 1.00 0.00 H new ATOM 0 HB3 SER A 0 15.883 -30.394 -4.834 1.00 0.00 H new ATOM 0 HG SER A 0 16.841 -32.245 -3.788 1.00 0.00 H new ATOM 61 N ARG A 74 13.075 -30.826 -7.157 1.00 0.00 N ATOM 62 CA ARG A 74 12.630 -29.968 -8.249 1.00 0.00 C ATOM 63 C ARG A 74 11.338 -29.255 -7.874 1.00 0.00 C ATOM 64 O ARG A 74 10.949 -28.278 -8.514 1.00 0.00 O ATOM 65 CB ARG A 74 12.417 -30.806 -9.520 1.00 0.00 C ATOM 66 CG ARG A 74 13.759 -31.044 -10.216 1.00 0.00 C ATOM 67 CD ARG A 74 14.709 -31.764 -9.258 1.00 0.00 C ATOM 68 NE ARG A 74 15.871 -32.262 -9.981 1.00 0.00 N ATOM 69 CZ ARG A 74 16.899 -32.802 -9.337 1.00 0.00 C ATOM 70 NH1 ARG A 74 16.880 -32.892 -8.036 1.00 0.00 N ATOM 71 NH2 ARG A 74 17.929 -33.239 -10.007 1.00 0.00 N ATOM 0 H ARG A 74 13.041 -31.825 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 74 13.398 -29.219 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.955 -31.760 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.733 -30.292 -10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.613 -31.640 -11.117 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.192 -30.094 -10.529 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.027 -31.082 -8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.191 -32.592 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 74 15.896 -32.195 -10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.075 -32.547 -7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.670 -33.307 -7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.944 -33.166 -11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.719 -33.654 -9.514 1.00 0.00 H new ATOM 85 N LYS A 75 10.670 -29.751 -6.838 1.00 0.00 N ATOM 86 CA LYS A 75 9.415 -29.155 -6.393 1.00 0.00 C ATOM 87 C LYS A 75 9.670 -28.067 -5.363 1.00 0.00 C ATOM 88 O LYS A 75 8.735 -27.485 -4.810 1.00 0.00 O ATOM 89 CB LYS A 75 8.508 -30.224 -5.788 1.00 0.00 C ATOM 90 CG LYS A 75 8.201 -31.292 -6.841 1.00 0.00 C ATOM 91 CD LYS A 75 7.041 -32.174 -6.366 1.00 0.00 C ATOM 92 CE LYS A 75 7.458 -32.958 -5.121 1.00 0.00 C ATOM 93 NZ LYS A 75 6.435 -34.000 -4.826 1.00 0.00 N ATOM 0 H LYS A 75 10.974 -30.559 -6.294 1.00 0.00 H new ATOM 0 HA LYS A 75 8.925 -28.712 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.992 -30.679 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.582 -29.772 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.945 -30.818 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.085 -31.904 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.171 -31.556 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.748 -32.863 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.431 -33.423 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.562 -32.284 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.717 -34.534 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.515 -33.545 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.357 -34.649 -5.635 1.00 0.00 H new ATOM 107 N ILE A 76 10.941 -27.794 -5.111 1.00 0.00 N ATOM 108 CA ILE A 76 11.319 -26.765 -4.145 1.00 0.00 C ATOM 109 C ILE A 76 11.338 -25.397 -4.814 1.00 0.00 C ATOM 110 O ILE A 76 12.034 -25.189 -5.808 1.00 0.00 O ATOM 111 CB ILE A 76 12.702 -27.069 -3.565 1.00 0.00 C ATOM 112 CG1 ILE A 76 12.655 -28.401 -2.816 1.00 0.00 C ATOM 113 CG2 ILE A 76 13.107 -25.950 -2.600 1.00 0.00 C ATOM 114 CD1 ILE A 76 14.075 -28.835 -2.451 1.00 0.00 C ATOM 0 H ILE A 76 11.727 -28.266 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 76 10.585 -26.760 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 76 13.432 -27.132 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.051 -28.301 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.179 -29.161 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 76 14.092 -26.165 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.138 -25.001 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.379 -25.886 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 76 14.039 -29.785 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.665 -28.952 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.535 -28.078 -1.815 1.00 0.00 H new ATOM 126 N ALA A 77 10.567 -24.462 -4.262 1.00 0.00 N ATOM 127 CA ALA A 77 10.499 -23.106 -4.811 1.00 0.00 C ATOM 128 C ALA A 77 11.429 -22.170 -4.049 1.00 0.00 C ATOM 129 O ALA A 77 11.154 -21.799 -2.908 1.00 0.00 O ATOM 130 CB ALA A 77 9.064 -22.584 -4.721 1.00 0.00 C ATOM 0 H ALA A 77 9.983 -24.615 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 77 10.813 -23.139 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.018 -21.575 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.403 -23.237 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.748 -22.567 -3.678 1.00 0.00 H new ATOM 136 N GLN A 78 12.530 -21.788 -4.690 1.00 0.00 N ATOM 137 CA GLN A 78 13.496 -20.887 -4.069 1.00 0.00 C ATOM 138 C GLN A 78 13.056 -19.438 -4.237 1.00 0.00 C ATOM 139 O GLN A 78 12.471 -19.073 -5.257 1.00 0.00 O ATOM 140 CB GLN A 78 14.876 -21.085 -4.701 1.00 0.00 C ATOM 141 CG GLN A 78 15.397 -22.484 -4.361 1.00 0.00 C ATOM 142 CD GLN A 78 16.755 -22.706 -5.015 1.00 0.00 C ATOM 143 OE1 GLN A 78 16.879 -22.611 -6.237 1.00 0.00 O ATOM 144 NE2 GLN A 78 17.788 -22.993 -4.272 1.00 0.00 N ATOM 0 H GLN A 78 12.775 -22.086 -5.634 1.00 0.00 H new ATOM 0 HA GLN A 78 13.551 -21.116 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 78 14.814 -20.961 -5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 78 15.568 -20.328 -4.333 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.482 -22.597 -3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.690 -23.238 -4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.683 -23.071 -3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.701 -23.139 -4.703 1.00 0.00 H new ATOM 153 N MET A 79 13.339 -18.617 -3.233 1.00 0.00 N ATOM 154 CA MET A 79 12.961 -17.209 -3.283 1.00 0.00 C ATOM 155 C MET A 79 13.829 -16.459 -4.289 1.00 0.00 C ATOM 156 O MET A 79 15.046 -16.641 -4.329 1.00 0.00 O ATOM 157 CB MET A 79 13.124 -16.579 -1.900 1.00 0.00 C ATOM 158 CG MET A 79 12.086 -17.169 -0.946 1.00 0.00 C ATOM 159 SD MET A 79 12.118 -16.254 0.617 1.00 0.00 S ATOM 160 CE MET A 79 13.736 -16.827 1.195 1.00 0.00 C ATOM 0 H MET A 79 13.825 -18.898 -2.381 1.00 0.00 H new ATOM 0 HA MET A 79 11.919 -17.140 -3.595 1.00 0.00 H new ATOM 0 HB2 MET A 79 14.129 -16.764 -1.521 1.00 0.00 H new ATOM 0 HB3 MET A 79 13.001 -15.498 -1.964 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.093 -17.114 -1.392 1.00 0.00 H new ATOM 0 HG3 MET A 79 12.297 -18.223 -0.768 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.666 -17.119 2.243 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.052 -17.684 0.600 1.00 0.00 H new ATOM 0 HE3 MET A 79 14.465 -16.024 1.091 1.00 0.00 H new ATOM 170 N THR A 80 13.195 -15.612 -5.096 1.00 0.00 N ATOM 171 CA THR A 80 13.917 -14.831 -6.096 1.00 0.00 C ATOM 172 C THR A 80 14.531 -13.589 -5.466 1.00 0.00 C ATOM 173 O THR A 80 14.197 -13.221 -4.340 1.00 0.00 O ATOM 174 CB THR A 80 12.971 -14.427 -7.228 1.00 0.00 C ATOM 175 OG1 THR A 80 11.962 -13.577 -6.712 1.00 0.00 O ATOM 176 CG2 THR A 80 12.332 -15.677 -7.834 1.00 0.00 C ATOM 0 H THR A 80 12.188 -15.450 -5.077 1.00 0.00 H new ATOM 0 HA THR A 80 14.719 -15.447 -6.502 1.00 0.00 H new ATOM 0 HB THR A 80 13.530 -13.901 -8.002 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.354 -13.314 -7.435 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.658 -15.387 -8.640 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.111 -16.329 -8.229 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.770 -16.208 -7.065 1.00 0.00 H new ATOM 184 N GLU A 82 15.426 -12.938 -6.201 1.00 0.00 N ATOM 185 CA GLU A 82 16.072 -11.733 -5.698 1.00 0.00 C ATOM 186 C GLU A 82 15.029 -10.653 -5.431 1.00 0.00 C ATOM 187 O GLU A 82 15.082 -9.963 -4.412 1.00 0.00 O ATOM 188 CB GLU A 82 17.094 -11.223 -6.719 1.00 0.00 C ATOM 189 CG GLU A 82 17.817 -9.999 -6.154 1.00 0.00 C ATOM 190 CD GLU A 82 18.907 -9.545 -7.121 1.00 0.00 C ATOM 191 OE1 GLU A 82 19.056 -10.177 -8.154 1.00 0.00 O ATOM 192 OE2 GLU A 82 19.578 -8.575 -6.812 1.00 0.00 O ATOM 0 H GLU A 82 15.718 -13.221 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 82 16.585 -11.971 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.814 -12.008 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.593 -10.964 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.105 -9.190 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.256 -10.240 -5.186 1.00 0.00 H new ATOM 199 N GLU A 83 14.081 -10.511 -6.353 1.00 0.00 N ATOM 200 CA GLU A 83 13.031 -9.510 -6.203 1.00 0.00 C ATOM 201 C GLU A 83 12.179 -9.826 -4.977 1.00 0.00 C ATOM 202 O GLU A 83 11.810 -8.931 -4.215 1.00 0.00 O ATOM 203 CB GLU A 83 12.144 -9.490 -7.455 1.00 0.00 C ATOM 204 CG GLU A 83 11.114 -8.359 -7.352 1.00 0.00 C ATOM 205 CD GLU A 83 11.827 -7.009 -7.396 1.00 0.00 C ATOM 206 OE1 GLU A 83 12.975 -6.984 -7.807 1.00 0.00 O ATOM 207 OE2 GLU A 83 11.212 -6.025 -7.026 1.00 0.00 O ATOM 0 H GLU A 83 14.018 -11.071 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 83 13.494 -8.531 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.759 -9.352 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.635 -10.447 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.398 -8.430 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.548 -8.452 -6.425 1.00 0.00 H new ATOM 214 N GLN A 84 11.868 -11.106 -4.792 1.00 0.00 N ATOM 215 CA GLN A 84 11.053 -11.528 -3.656 1.00 0.00 C ATOM 216 C GLN A 84 11.768 -11.234 -2.342 1.00 0.00 C ATOM 217 O GLN A 84 11.154 -10.790 -1.373 1.00 0.00 O ATOM 218 CB GLN A 84 10.754 -13.024 -3.756 1.00 0.00 C ATOM 219 CG GLN A 84 9.761 -13.275 -4.894 1.00 0.00 C ATOM 220 CD GLN A 84 9.751 -14.755 -5.260 1.00 0.00 C ATOM 221 OE1 GLN A 84 10.194 -15.591 -4.473 1.00 0.00 O ATOM 222 NE2 GLN A 84 9.275 -15.129 -6.415 1.00 0.00 N ATOM 0 H GLN A 84 12.165 -11.863 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 84 10.117 -10.969 -3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.675 -13.578 -3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.342 -13.386 -2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.762 -12.960 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.034 -12.678 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.909 -14.434 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.269 -16.117 -6.668 1.00 0.00 H new ATOM 231 N PHE A 85 13.070 -11.483 -2.319 1.00 0.00 N ATOM 232 CA PHE A 85 13.861 -11.237 -1.121 1.00 0.00 C ATOM 233 C PHE A 85 13.837 -9.753 -0.758 1.00 0.00 C ATOM 234 O PHE A 85 13.635 -9.390 0.402 1.00 0.00 O ATOM 235 CB PHE A 85 15.304 -11.693 -1.343 1.00 0.00 C ATOM 236 CG PHE A 85 16.103 -11.478 -0.079 1.00 0.00 C ATOM 237 CD1 PHE A 85 15.993 -12.391 0.978 1.00 0.00 C ATOM 238 CD2 PHE A 85 16.952 -10.371 0.039 1.00 0.00 C ATOM 239 CE1 PHE A 85 16.732 -12.198 2.152 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.690 -10.176 1.213 1.00 0.00 C ATOM 241 CZ PHE A 85 17.580 -11.090 2.269 1.00 0.00 C ATOM 0 H PHE A 85 13.598 -11.852 -3.110 1.00 0.00 H new ATOM 0 HA PHE A 85 13.427 -11.805 -0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.324 -12.746 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.750 -11.135 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.338 -13.245 0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.038 -9.667 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.648 -12.903 2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.344 -9.321 1.304 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.150 -10.940 3.174 1.00 0.00 H new ATOM 251 N ALA A 86 14.046 -8.901 -1.756 1.00 0.00 N ATOM 252 CA ALA A 86 14.061 -7.459 -1.525 1.00 0.00 C ATOM 253 C ALA A 86 12.730 -6.991 -0.945 1.00 0.00 C ATOM 254 O ALA A 86 12.695 -6.148 -0.050 1.00 0.00 O ATOM 255 CB ALA A 86 14.333 -6.728 -2.843 1.00 0.00 C ATOM 0 H ALA A 86 14.206 -9.179 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 86 14.851 -7.231 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.343 -5.652 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.299 -7.040 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.550 -6.970 -3.562 1.00 0.00 H new ATOM 261 N LEU A 87 11.642 -7.549 -1.452 1.00 0.00 N ATOM 262 CA LEU A 87 10.315 -7.195 -0.966 1.00 0.00 C ATOM 263 C LEU A 87 10.159 -7.571 0.501 1.00 0.00 C ATOM 264 O LEU A 87 9.517 -6.854 1.268 1.00 0.00 O ATOM 265 CB LEU A 87 9.249 -7.903 -1.806 1.00 0.00 C ATOM 266 CG LEU A 87 9.156 -7.244 -3.195 1.00 0.00 C ATOM 267 CD1 LEU A 87 8.448 -8.195 -4.164 1.00 0.00 C ATOM 268 CD2 LEU A 87 8.354 -5.927 -3.115 1.00 0.00 C ATOM 0 H LEU A 87 11.650 -8.246 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 87 10.188 -6.116 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.498 -8.959 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.283 -7.851 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 87 10.165 -7.029 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.382 -7.729 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.013 -9.124 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.445 -8.409 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.298 -5.474 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.347 -6.136 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.850 -5.240 -2.430 1.00 0.00 H new ATOM 280 N ALA A 88 10.741 -8.697 0.888 1.00 0.00 N ATOM 281 CA ALA A 88 10.640 -9.151 2.268 1.00 0.00 C ATOM 282 C ALA A 88 11.231 -8.113 3.218 1.00 0.00 C ATOM 283 O ALA A 88 10.644 -7.806 4.254 1.00 0.00 O ATOM 284 CB ALA A 88 11.391 -10.473 2.426 1.00 0.00 C ATOM 0 H ALA A 88 11.282 -9.307 0.275 1.00 0.00 H new ATOM 0 HA ALA A 88 9.588 -9.292 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.316 -10.813 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.954 -11.221 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.440 -10.329 2.167 1.00 0.00 H new ATOM 290 N LEU A 89 12.382 -7.565 2.852 1.00 0.00 N ATOM 291 CA LEU A 89 13.024 -6.546 3.684 1.00 0.00 C ATOM 292 C LEU A 89 12.166 -5.284 3.746 1.00 0.00 C ATOM 293 O LEU A 89 12.052 -4.649 4.795 1.00 0.00 O ATOM 294 CB LEU A 89 14.417 -6.207 3.126 1.00 0.00 C ATOM 295 CG LEU A 89 15.446 -7.219 3.642 1.00 0.00 C ATOM 296 CD1 LEU A 89 14.975 -8.638 3.331 1.00 0.00 C ATOM 297 CD2 LEU A 89 16.789 -6.964 2.956 1.00 0.00 C ATOM 0 H LEU A 89 12.887 -7.802 1.998 1.00 0.00 H new ATOM 0 HA LEU A 89 13.132 -6.943 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.395 -6.221 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.703 -5.199 3.426 1.00 0.00 H new ATOM 0 HG LEU A 89 15.557 -7.108 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.709 -9.354 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.017 -8.818 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.862 -8.756 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 89 17.525 -7.681 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.674 -7.077 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 89 17.126 -5.952 3.181 1.00 0.00 H new ATOM 309 N LYS A 90 11.569 -4.924 2.618 1.00 0.00 N ATOM 310 CA LYS A 90 10.732 -3.734 2.559 1.00 0.00 C ATOM 311 C LYS A 90 9.524 -3.878 3.480 1.00 0.00 C ATOM 312 O LYS A 90 9.132 -2.930 4.160 1.00 0.00 O ATOM 313 CB LYS A 90 10.260 -3.501 1.124 1.00 0.00 C ATOM 314 CG LYS A 90 11.445 -3.073 0.257 1.00 0.00 C ATOM 315 CD LYS A 90 10.970 -2.845 -1.180 1.00 0.00 C ATOM 316 CE LYS A 90 12.141 -2.357 -2.034 1.00 0.00 C ATOM 317 NZ LYS A 90 13.190 -3.413 -2.091 1.00 0.00 N ATOM 0 H LYS A 90 11.648 -5.434 1.738 1.00 0.00 H new ATOM 0 HA LYS A 90 11.323 -2.880 2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.815 -4.412 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.487 -2.733 1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.889 -2.160 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.220 -3.839 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.567 -3.770 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.164 -2.111 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.796 -2.118 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.555 -1.441 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.700 -3.347 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.859 -3.281 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.745 -4.349 -2.012 1.00 0.00 H new ATOM 331 N MET A 91 8.943 -5.072 3.498 1.00 0.00 N ATOM 332 CA MET A 91 7.781 -5.333 4.342 1.00 0.00 C ATOM 333 C MET A 91 8.146 -5.203 5.817 1.00 0.00 C ATOM 334 O MET A 91 7.371 -4.677 6.615 1.00 0.00 O ATOM 335 CB MET A 91 7.243 -6.737 4.068 1.00 0.00 C ATOM 336 CG MET A 91 6.594 -6.776 2.684 1.00 0.00 C ATOM 337 SD MET A 91 6.067 -8.467 2.312 1.00 0.00 S ATOM 338 CE MET A 91 5.227 -8.107 0.752 1.00 0.00 C ATOM 0 H MET A 91 9.254 -5.869 2.943 1.00 0.00 H new ATOM 0 HA MET A 91 7.013 -4.597 4.106 1.00 0.00 H new ATOM 0 HB2 MET A 91 8.053 -7.465 4.122 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.515 -7.014 4.830 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.738 -6.102 2.653 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.300 -6.430 1.930 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.817 -9.028 0.338 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.418 -7.398 0.929 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.938 -7.677 0.047 1.00 0.00 H new ATOM 348 N SER A 92 9.330 -5.688 6.174 1.00 0.00 N ATOM 349 CA SER A 92 9.784 -5.622 7.558 1.00 0.00 C ATOM 350 C SER A 92 9.900 -4.171 8.017 1.00 0.00 C ATOM 351 O SER A 92 9.515 -3.833 9.138 1.00 0.00 O ATOM 352 CB SER A 92 11.141 -6.313 7.695 1.00 0.00 C ATOM 353 OG SER A 92 11.575 -6.230 9.046 1.00 0.00 O ATOM 0 H SER A 92 9.988 -6.128 5.530 1.00 0.00 H new ATOM 0 HA SER A 92 9.052 -6.131 8.185 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.063 -7.356 7.389 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.871 -5.841 7.037 1.00 0.00 H new ATOM 0 HG SER A 92 11.388 -7.077 9.502 1.00 0.00 H new ATOM 359 N GLU A 93 10.431 -3.320 7.147 1.00 0.00 N ATOM 360 CA GLU A 93 10.592 -1.907 7.476 1.00 0.00 C ATOM 361 C GLU A 93 9.233 -1.244 7.681 1.00 0.00 C ATOM 362 O GLU A 93 9.066 -0.410 8.568 1.00 0.00 O ATOM 363 CB GLU A 93 11.348 -1.193 6.355 1.00 0.00 C ATOM 364 CG GLU A 93 12.803 -1.664 6.343 1.00 0.00 C ATOM 365 CD GLU A 93 13.537 -1.056 5.153 1.00 0.00 C ATOM 366 OE1 GLU A 93 12.877 -0.461 4.317 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.748 -1.194 5.097 1.00 0.00 O ATOM 0 H GLU A 93 10.755 -3.580 6.215 1.00 0.00 H new ATOM 0 HA GLU A 93 11.161 -1.832 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.878 -1.403 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.305 -0.114 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.295 -1.374 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.841 -2.752 6.288 1.00 0.00 H new ATOM 374 N GLN A 94 8.263 -1.625 6.854 1.00 0.00 N ATOM 375 CA GLN A 94 6.920 -1.063 6.953 1.00 0.00 C ATOM 376 C GLN A 94 6.275 -1.441 8.282 1.00 0.00 C ATOM 377 O GLN A 94 5.553 -0.645 8.882 1.00 0.00 O ATOM 378 CB GLN A 94 6.055 -1.568 5.798 1.00 0.00 C ATOM 379 CG GLN A 94 6.530 -0.936 4.488 1.00 0.00 C ATOM 380 CD GLN A 94 5.820 -1.590 3.307 1.00 0.00 C ATOM 381 OE1 GLN A 94 5.471 -2.768 3.366 1.00 0.00 O ATOM 382 NE2 GLN A 94 5.579 -0.888 2.232 1.00 0.00 N ATOM 0 H GLN A 94 8.381 -2.316 6.113 1.00 0.00 H new ATOM 0 HA GLN A 94 6.997 0.023 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.116 -2.654 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.009 -1.317 5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.328 0.135 4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.609 -1.056 4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.869 0.089 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.101 -1.317 1.440 1.00 0.00 H new ATOM 391 N GLU A 95 6.539 -2.660 8.735 1.00 0.00 N ATOM 392 CA GLU A 95 5.977 -3.138 9.993 1.00 0.00 C ATOM 393 C GLU A 95 6.669 -2.478 11.179 1.00 0.00 C ATOM 394 O GLU A 95 6.200 -2.577 12.312 1.00 0.00 O ATOM 395 CB GLU A 95 6.134 -4.657 10.094 1.00 0.00 C ATOM 396 CG GLU A 95 5.208 -5.336 9.084 1.00 0.00 C ATOM 397 CD GLU A 95 5.499 -6.832 9.034 1.00 0.00 C ATOM 398 OE1 GLU A 95 6.556 -7.226 9.500 1.00 0.00 O ATOM 399 OE2 GLU A 95 4.657 -7.562 8.536 1.00 0.00 O ATOM 0 H GLU A 95 7.135 -3.333 8.254 1.00 0.00 H new ATOM 0 HA GLU A 95 4.919 -2.878 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.169 -4.940 9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.895 -4.991 11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.167 -5.169 9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.349 -4.897 8.096 1.00 0.00 H new ATOM 406 N ALA A 96 7.785 -1.806 10.910 1.00 0.00 N ATOM 407 CA ALA A 96 8.538 -1.132 11.963 1.00 0.00 C ATOM 408 C ALA A 96 9.240 -2.151 12.853 1.00 0.00 C ATOM 409 O ALA A 96 9.487 -1.894 14.032 1.00 0.00 O ATOM 410 CB ALA A 96 7.594 -0.269 12.809 1.00 0.00 C ATOM 0 H ALA A 96 8.186 -1.714 9.977 1.00 0.00 H new ATOM 0 HA ALA A 96 9.291 -0.495 11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.163 0.231 13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.117 0.478 12.174 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.831 -0.902 13.262 1.00 0.00 H new ATOM 416 N ARG A 97 9.558 -3.302 12.282 1.00 0.00 N ATOM 417 CA ARG A 97 10.232 -4.354 13.035 1.00 0.00 C ATOM 418 C ARG A 97 9.594 -4.522 14.413 1.00 0.00 C ATOM 419 O ARG A 97 9.938 -3.809 15.360 1.00 0.00 O ATOM 420 CB ARG A 97 11.722 -4.015 13.197 1.00 0.00 C ATOM 421 CG ARG A 97 12.540 -5.300 13.435 1.00 0.00 C ATOM 422 CD ARG A 97 12.935 -5.928 12.096 1.00 0.00 C ATOM 423 NE ARG A 97 13.797 -5.014 11.358 1.00 0.00 N ATOM 424 CZ ARG A 97 14.272 -5.335 10.163 1.00 0.00 C ATOM 425 NH1 ARG A 97 13.967 -6.485 9.629 1.00 0.00 N ATOM 426 NH2 ARG A 97 15.040 -4.499 9.518 1.00 0.00 N ATOM 0 H ARG A 97 9.363 -3.533 11.308 1.00 0.00 H new ATOM 0 HA ARG A 97 10.131 -5.289 12.483 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.085 -3.505 12.305 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.857 -3.329 14.034 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.434 -5.069 14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.955 -6.010 14.020 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.451 -6.873 12.265 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.043 -6.153 11.512 1.00 0.00 H new ATOM 0 HE ARG A 97 14.039 -4.112 11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.363 -7.136 10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.332 -6.733 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.275 -3.598 9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.405 -4.747 8.598 1.00 0.00 H new ATOM 440 N GLU A 98 8.669 -5.468 14.521 1.00 0.00 N ATOM 441 CA GLU A 98 7.995 -5.721 15.781 1.00 0.00 C ATOM 442 C GLU A 98 7.518 -4.413 16.401 1.00 0.00 C ATOM 443 O GLU A 98 6.603 -3.771 15.884 1.00 0.00 O ATOM 444 CB GLU A 98 8.943 -6.433 16.741 1.00 0.00 C ATOM 445 CG GLU A 98 9.156 -7.877 16.280 1.00 0.00 C ATOM 446 CD GLU A 98 10.239 -8.539 17.124 1.00 0.00 C ATOM 447 OE1 GLU A 98 10.879 -7.835 17.890 1.00 0.00 O ATOM 448 OE2 GLU A 98 10.417 -9.738 16.990 1.00 0.00 O ATOM 0 H GLU A 98 8.372 -6.069 13.752 1.00 0.00 H new ATOM 0 HA GLU A 98 7.129 -6.355 15.593 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.898 -5.909 16.780 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.531 -6.420 17.750 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.224 -8.436 16.366 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.442 -7.893 15.228 1.00 0.00 H new ATOM 455 N VAL A 99 8.136 -4.020 17.512 1.00 0.00 N ATOM 456 CA VAL A 99 7.756 -2.786 18.192 1.00 0.00 C ATOM 457 C VAL A 99 8.512 -1.600 17.603 1.00 0.00 C ATOM 458 O VAL A 99 9.707 -1.691 17.315 1.00 0.00 O ATOM 459 CB VAL A 99 8.072 -2.895 19.685 1.00 0.00 C ATOM 460 CG1 VAL A 99 7.188 -1.927 20.477 1.00 0.00 C ATOM 461 CG2 VAL A 99 7.815 -4.330 20.158 1.00 0.00 C ATOM 0 H VAL A 99 8.896 -4.534 17.957 1.00 0.00 H new ATOM 0 HA VAL A 99 6.686 -2.631 18.055 1.00 0.00 H new ATOM 0 HB VAL A 99 9.118 -2.639 19.850 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.418 -2.010 21.539 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.376 -0.906 20.143 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.139 -2.175 20.313 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.040 -4.408 21.222 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.769 -4.587 19.988 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.453 -5.016 19.601 1.00 0.00 H new ATOM 471 N ASN A 100 7.811 -0.493 17.435 1.00 0.00 N ATOM 472 CA ASN A 100 8.429 0.707 16.892 1.00 0.00 C ATOM 473 C ASN A 100 9.260 1.413 17.961 1.00 0.00 C ATOM 474 O ASN A 100 8.756 1.759 19.030 1.00 0.00 O ATOM 475 CB ASN A 100 7.351 1.658 16.365 1.00 0.00 C ATOM 476 CG ASN A 100 7.995 2.840 15.646 1.00 0.00 C ATOM 477 OD1 ASN A 100 9.190 3.090 15.808 1.00 0.00 O ATOM 478 ND2 ASN A 100 7.270 3.587 14.856 1.00 0.00 N ATOM 0 H ASN A 100 6.822 -0.398 17.664 1.00 0.00 H new ATOM 0 HA ASN A 100 9.086 0.416 16.072 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.688 1.126 15.683 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.737 2.016 17.191 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.694 4.379 14.372 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.280 3.378 14.723 1.00 0.00 H new ATOM 485 N SER A 101 10.530 1.635 17.659 1.00 0.00 N ATOM 486 CA SER A 101 11.427 2.314 18.590 1.00 0.00 C ATOM 487 C SER A 101 10.922 3.724 18.889 1.00 0.00 C ATOM 488 O SER A 101 10.975 4.185 20.029 1.00 0.00 O ATOM 489 CB SER A 101 12.838 2.390 18.005 1.00 0.00 C ATOM 490 OG SER A 101 13.689 3.064 18.924 1.00 0.00 O ATOM 0 H SER A 101 10.965 1.357 16.779 1.00 0.00 H new ATOM 0 HA SER A 101 11.452 1.742 19.518 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.217 1.387 17.808 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.821 2.918 17.052 1.00 0.00 H new ATOM 0 HG SER A 101 14.595 3.114 18.554 1.00 0.00 H new ATOM 496 N GLN A 102 10.442 4.409 17.856 1.00 0.00 N ATOM 497 CA GLN A 102 9.941 5.768 18.021 1.00 0.00 C ATOM 498 C GLN A 102 8.758 5.791 18.985 1.00 0.00 C ATOM 499 O GLN A 102 8.646 6.686 19.824 1.00 0.00 O ATOM 500 CB GLN A 102 9.507 6.331 16.667 1.00 0.00 C ATOM 501 CG GLN A 102 9.110 7.799 16.824 1.00 0.00 C ATOM 502 CD GLN A 102 8.796 8.405 15.460 1.00 0.00 C ATOM 503 OE1 GLN A 102 8.971 7.748 14.433 1.00 0.00 O ATOM 504 NE2 GLN A 102 8.340 9.625 15.388 1.00 0.00 N ATOM 0 H GLN A 102 10.390 4.049 16.903 1.00 0.00 H new ATOM 0 HA GLN A 102 10.742 6.383 18.432 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.320 6.239 15.946 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.667 5.757 16.276 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.240 7.881 17.476 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.919 8.354 17.300 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.196 10.167 16.240 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.127 10.037 14.480 1.00 0.00 H new ATOM 513 N GLU A 103 7.879 4.803 18.865 1.00 0.00 N ATOM 514 CA GLU A 103 6.713 4.726 19.737 1.00 0.00 C ATOM 515 C GLU A 103 7.144 4.539 21.189 1.00 0.00 C ATOM 516 O GLU A 103 6.568 5.133 22.100 1.00 0.00 O ATOM 517 CB GLU A 103 5.818 3.559 19.311 1.00 0.00 C ATOM 518 CG GLU A 103 4.569 3.519 20.195 1.00 0.00 C ATOM 519 CD GLU A 103 3.616 2.438 19.701 1.00 0.00 C ATOM 520 OE1 GLU A 103 3.917 1.826 18.689 1.00 0.00 O ATOM 521 OE2 GLU A 103 2.598 2.235 20.342 1.00 0.00 O ATOM 0 H GLU A 103 7.950 4.051 18.180 1.00 0.00 H new ATOM 0 HA GLU A 103 6.155 5.659 19.653 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.532 3.670 18.265 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.365 2.620 19.394 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.851 3.322 21.229 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.071 4.489 20.180 1.00 0.00 H new ATOM 528 N GLU A 104 8.159 3.710 21.397 1.00 0.00 N ATOM 529 CA GLU A 104 8.655 3.451 22.743 1.00 0.00 C ATOM 530 C GLU A 104 9.230 4.722 23.357 1.00 0.00 C ATOM 531 O GLU A 104 9.028 5.000 24.538 1.00 0.00 O ATOM 532 CB GLU A 104 9.738 2.368 22.694 1.00 0.00 C ATOM 533 CG GLU A 104 9.112 1.015 22.331 1.00 0.00 C ATOM 534 CD GLU A 104 8.137 0.575 23.418 1.00 0.00 C ATOM 535 OE1 GLU A 104 8.499 0.657 24.579 1.00 0.00 O ATOM 536 OE2 GLU A 104 7.041 0.164 23.073 1.00 0.00 O ATOM 0 H GLU A 104 8.652 3.209 20.658 1.00 0.00 H new ATOM 0 HA GLU A 104 7.824 3.110 23.360 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.498 2.635 21.960 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.239 2.299 23.660 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.592 1.091 21.376 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.894 0.266 22.209 1.00 0.00 H new ATOM 543 N GLU A 105 9.943 5.495 22.549 1.00 0.00 N ATOM 544 CA GLU A 105 10.537 6.736 23.031 1.00 0.00 C ATOM 545 C GLU A 105 9.448 7.713 23.454 1.00 0.00 C ATOM 546 O GLU A 105 9.569 8.394 24.472 1.00 0.00 O ATOM 547 CB GLU A 105 11.392 7.364 21.926 1.00 0.00 C ATOM 548 CG GLU A 105 12.643 6.515 21.679 1.00 0.00 C ATOM 549 CD GLU A 105 13.519 6.486 22.928 1.00 0.00 C ATOM 550 OE1 GLU A 105 13.759 7.546 23.482 1.00 0.00 O ATOM 551 OE2 GLU A 105 13.931 5.406 23.315 1.00 0.00 O ATOM 0 H GLU A 105 10.123 5.288 21.567 1.00 0.00 H new ATOM 0 HA GLU A 105 11.165 6.513 23.893 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.811 7.444 21.007 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.681 8.376 22.210 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.354 5.500 21.406 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.207 6.922 20.840 1.00 0.00 H new ATOM 558 N GLU A 106 8.383 7.775 22.666 1.00 0.00 N ATOM 559 CA GLU A 106 7.277 8.671 22.973 1.00 0.00 C ATOM 560 C GLU A 106 6.617 8.265 24.286 1.00 0.00 C ATOM 561 O GLU A 106 6.245 9.114 25.095 1.00 0.00 O ATOM 562 CB GLU A 106 6.244 8.636 21.844 1.00 0.00 C ATOM 563 CG GLU A 106 5.190 9.729 22.068 1.00 0.00 C ATOM 564 CD GLU A 106 4.187 9.291 23.134 1.00 0.00 C ATOM 565 OE1 GLU A 106 3.970 8.099 23.265 1.00 0.00 O ATOM 566 OE2 GLU A 106 3.656 10.160 23.808 1.00 0.00 O ATOM 0 H GLU A 106 8.262 7.222 21.818 1.00 0.00 H new ATOM 0 HA GLU A 106 7.667 9.684 23.071 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.737 8.785 20.883 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.764 7.658 21.808 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.676 10.655 22.376 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.669 9.938 21.134 1.00 0.00 H new ATOM 573 N GLU A 107 6.470 6.959 24.486 1.00 0.00 N ATOM 574 CA GLU A 107 5.849 6.448 25.702 1.00 0.00 C ATOM 575 C GLU A 107 6.654 6.868 26.927 1.00 0.00 C ATOM 576 O GLU A 107 6.087 7.260 27.947 1.00 0.00 O ATOM 577 CB GLU A 107 5.764 4.921 25.643 1.00 0.00 C ATOM 578 CG GLU A 107 5.044 4.397 26.890 1.00 0.00 C ATOM 579 CD GLU A 107 4.884 2.882 26.803 1.00 0.00 C ATOM 580 OE1 GLU A 107 5.323 2.315 25.817 1.00 0.00 O ATOM 581 OE2 GLU A 107 4.324 2.313 27.725 1.00 0.00 O ATOM 0 H GLU A 107 6.770 6.241 23.827 1.00 0.00 H new ATOM 0 HA GLU A 107 4.844 6.864 25.779 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.229 4.611 24.745 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.765 4.493 25.582 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.609 4.660 27.784 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.066 4.870 26.981 1.00 0.00 H new ATOM 588 N GLU A 108 7.974 6.781 26.821 1.00 0.00 N ATOM 589 CA GLU A 108 8.844 7.154 27.929 1.00 0.00 C ATOM 590 C GLU A 108 8.693 8.636 28.253 1.00 0.00 C ATOM 591 O GLU A 108 8.656 9.026 29.420 1.00 0.00 O ATOM 592 CB GLU A 108 10.302 6.853 27.568 1.00 0.00 C ATOM 593 CG GLU A 108 10.510 5.338 27.494 1.00 0.00 C ATOM 594 CD GLU A 108 10.411 4.730 28.887 1.00 0.00 C ATOM 595 OE1 GLU A 108 10.580 5.466 29.846 1.00 0.00 O ATOM 596 OE2 GLU A 108 10.165 3.539 28.977 1.00 0.00 O ATOM 0 H GLU A 108 8.463 6.458 25.986 1.00 0.00 H new ATOM 0 HA GLU A 108 8.558 6.573 28.805 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.553 7.312 26.612 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.969 7.286 28.314 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.762 4.891 26.839 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.485 5.117 27.060 1.00 0.00 H new ATOM 603 N LEU A 109 8.603 9.457 27.213 1.00 0.00 N ATOM 604 CA LEU A 109 8.450 10.894 27.403 1.00 0.00 C ATOM 605 C LEU A 109 7.131 11.202 28.090 1.00 0.00 C ATOM 606 O LEU A 109 7.054 12.074 28.955 1.00 0.00 O ATOM 607 CB LEU A 109 8.506 11.606 26.049 1.00 0.00 C ATOM 608 CG LEU A 109 9.922 11.494 25.465 1.00 0.00 C ATOM 609 CD1 LEU A 109 9.922 12.028 24.028 1.00 0.00 C ATOM 610 CD2 LEU A 109 10.931 12.294 26.324 1.00 0.00 C ATOM 0 H LEU A 109 8.633 9.156 26.239 1.00 0.00 H new ATOM 0 HA LEU A 109 9.265 11.250 28.033 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.783 11.163 25.364 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.232 12.655 26.167 1.00 0.00 H new ATOM 0 HG LEU A 109 10.224 10.447 25.467 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.926 11.950 23.611 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.231 11.442 23.422 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.609 13.072 24.028 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.928 12.202 25.894 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.640 13.344 26.344 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.937 11.900 27.340 1.00 0.00 H new ATOM 622 N LEU A 110 6.089 10.479 27.701 1.00 0.00 N ATOM 623 CA LEU A 110 4.776 10.687 28.288 1.00 0.00 C ATOM 624 C LEU A 110 4.807 10.384 29.780 1.00 0.00 C ATOM 625 O LEU A 110 4.246 11.125 30.587 1.00 0.00 O ATOM 626 CB LEU A 110 3.742 9.790 27.595 1.00 0.00 C ATOM 627 CG LEU A 110 2.352 10.003 28.222 1.00 0.00 C ATOM 628 CD1 LEU A 110 1.921 11.472 28.060 1.00 0.00 C ATOM 629 CD2 LEU A 110 1.341 9.086 27.524 1.00 0.00 C ATOM 0 H LEU A 110 6.128 9.750 26.988 1.00 0.00 H new ATOM 0 HA LEU A 110 4.495 11.731 28.148 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.708 10.017 26.530 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.035 8.744 27.688 1.00 0.00 H new ATOM 0 HG LEU A 110 2.392 9.764 29.285 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.937 11.614 28.506 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.642 12.120 28.558 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.879 11.724 27.000 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.354 9.232 27.963 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.305 9.327 26.462 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.645 8.047 27.650 1.00 0.00 H new ATOM 641 N ARG A 111 5.460 9.285 30.140 1.00 0.00 N ATOM 642 CA ARG A 111 5.545 8.889 31.539 1.00 0.00 C ATOM 643 C ARG A 111 6.239 9.971 32.358 1.00 0.00 C ATOM 644 O ARG A 111 5.799 10.313 33.456 1.00 0.00 O ATOM 645 CB ARG A 111 6.319 7.574 31.661 1.00 0.00 C ATOM 646 CG ARG A 111 6.385 7.151 33.129 1.00 0.00 C ATOM 647 CD ARG A 111 6.998 5.754 33.233 1.00 0.00 C ATOM 648 NE ARG A 111 6.089 4.760 32.677 1.00 0.00 N ATOM 649 CZ ARG A 111 6.431 3.477 32.608 1.00 0.00 C ATOM 650 NH1 ARG A 111 7.598 3.088 33.045 1.00 0.00 N ATOM 651 NH2 ARG A 111 5.598 2.606 32.106 1.00 0.00 N ATOM 0 H ARG A 111 5.934 8.658 29.489 1.00 0.00 H new ATOM 0 HA ARG A 111 4.534 8.752 31.924 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.832 6.798 31.070 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.326 7.695 31.261 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.982 7.864 33.697 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.386 7.154 33.564 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.948 5.726 32.700 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.210 5.519 34.276 1.00 0.00 H new ATOM 0 HE ARG A 111 5.174 5.054 32.335 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.248 3.768 33.439 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.860 2.104 32.992 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.685 2.910 31.767 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.860 1.622 32.053 1.00 0.00 H new ATOM 665 N LYS A 112 7.326 10.506 31.817 1.00 0.00 N ATOM 666 CA LYS A 112 8.073 11.551 32.507 1.00 0.00 C ATOM 667 C LYS A 112 7.214 12.800 32.682 1.00 0.00 C ATOM 668 O LYS A 112 7.241 13.441 33.733 1.00 0.00 O ATOM 669 CB LYS A 112 9.322 11.906 31.705 1.00 0.00 C ATOM 670 CG LYS A 112 10.322 10.751 31.779 1.00 0.00 C ATOM 671 CD LYS A 112 11.411 10.933 30.716 1.00 0.00 C ATOM 672 CE LYS A 112 12.237 12.185 31.021 1.00 0.00 C ATOM 673 NZ LYS A 112 13.429 12.221 30.131 1.00 0.00 N ATOM 0 H LYS A 112 7.708 10.237 30.910 1.00 0.00 H new ATOM 0 HA LYS A 112 8.359 11.179 33.491 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.056 12.105 30.667 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.773 12.817 32.098 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.773 10.712 32.771 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.807 9.803 31.626 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.059 10.057 30.694 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.956 11.019 29.729 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.631 13.079 30.872 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.549 12.182 32.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.991 13.071 30.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.010 11.374 30.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.120 12.243 29.138 1.00 0.00 H new ATOM 687 N ALA A 113 6.451 13.139 31.647 1.00 0.00 N ATOM 688 CA ALA A 113 5.589 14.313 31.699 1.00 0.00 C ATOM 689 C ALA A 113 4.545 14.159 32.799 1.00 0.00 C ATOM 690 O ALA A 113 4.231 15.114 33.509 1.00 0.00 O ATOM 691 CB ALA A 113 4.893 14.510 30.350 1.00 0.00 C ATOM 0 H ALA A 113 6.412 12.621 30.769 1.00 0.00 H new ATOM 0 HA ALA A 113 6.204 15.186 31.918 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.251 15.389 30.397 1.00 0.00 H new ATOM 0 HB2 ALA A 113 5.642 14.649 29.571 1.00 0.00 H new ATOM 0 HB3 ALA A 113 4.290 13.632 30.120 1.00 0.00 H new ATOM 697 N ILE A 114 4.007 12.954 32.932 1.00 0.00 N ATOM 698 CA ILE A 114 2.995 12.692 33.947 1.00 0.00 C ATOM 699 C ILE A 114 3.571 12.897 35.343 1.00 0.00 C ATOM 700 O ILE A 114 2.941 13.516 36.199 1.00 0.00 O ATOM 701 CB ILE A 114 2.474 11.251 33.805 1.00 0.00 C ATOM 702 CG1 ILE A 114 1.659 11.110 32.500 1.00 0.00 C ATOM 703 CG2 ILE A 114 1.590 10.892 35.013 1.00 0.00 C ATOM 704 CD1 ILE A 114 0.206 11.576 32.708 1.00 0.00 C ATOM 0 H ILE A 114 4.251 12.149 32.356 1.00 0.00 H new ATOM 0 HA ILE A 114 2.171 13.391 33.804 1.00 0.00 H new ATOM 0 HB ILE A 114 3.324 10.570 33.769 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.125 11.699 31.710 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.669 10.071 32.171 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.225 9.871 34.906 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.175 10.974 35.929 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.743 11.577 35.061 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.348 11.467 31.776 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.264 10.969 33.482 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.200 12.622 33.014 1.00 0.00 H new ATOM 716 N ALA A 115 4.764 12.366 35.566 1.00 0.00 N ATOM 717 CA ALA A 115 5.406 12.493 36.866 1.00 0.00 C ATOM 718 C ALA A 115 5.645 13.961 37.204 1.00 0.00 C ATOM 719 O ALA A 115 5.443 14.387 38.340 1.00 0.00 O ATOM 720 CB ALA A 115 6.738 11.745 36.862 1.00 0.00 C ATOM 0 H ALA A 115 5.303 11.848 34.872 1.00 0.00 H new ATOM 0 HA ALA A 115 4.748 12.061 37.621 1.00 0.00 H new ATOM 0 HB1 ALA A 115 7.214 11.844 37.838 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.562 10.691 36.649 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.390 12.166 36.096 1.00 0.00 H new ATOM 726 N GLU A 116 6.074 14.730 36.210 1.00 0.00 N ATOM 727 CA GLU A 116 6.337 16.149 36.420 1.00 0.00 C ATOM 728 C GLU A 116 5.047 16.886 36.771 1.00 0.00 C ATOM 729 O GLU A 116 5.034 17.747 37.652 1.00 0.00 O ATOM 730 CB GLU A 116 6.955 16.760 35.159 1.00 0.00 C ATOM 731 CG GLU A 116 7.299 18.230 35.415 1.00 0.00 C ATOM 732 CD GLU A 116 7.986 18.824 34.191 1.00 0.00 C ATOM 733 OE1 GLU A 116 8.174 18.097 33.230 1.00 0.00 O ATOM 734 OE2 GLU A 116 8.313 19.999 34.232 1.00 0.00 O ATOM 0 H GLU A 116 6.246 14.400 35.260 1.00 0.00 H new ATOM 0 HA GLU A 116 7.037 16.252 37.250 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.853 16.210 34.879 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.258 16.679 34.325 1.00 0.00 H new ATOM 0 HG2 GLU A 116 6.392 18.790 35.641 1.00 0.00 H new ATOM 0 HG3 GLU A 116 7.951 18.314 36.285 1.00 0.00 H new ATOM 741 N SER A 117 3.967 16.546 36.077 1.00 0.00 N ATOM 742 CA SER A 117 2.682 17.188 36.327 1.00 0.00 C ATOM 743 C SER A 117 2.217 16.918 37.754 1.00 0.00 C ATOM 744 O SER A 117 1.687 17.806 38.423 1.00 0.00 O ATOM 745 CB SER A 117 1.640 16.665 35.339 1.00 0.00 C ATOM 746 OG SER A 117 1.996 17.066 34.023 1.00 0.00 O ATOM 0 H SER A 117 3.954 15.837 35.344 1.00 0.00 H new ATOM 0 HA SER A 117 2.800 18.263 36.195 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.581 15.578 35.397 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.654 17.052 35.595 1.00 0.00 H new ATOM 0 HG SER A 117 2.736 16.510 33.701 1.00 0.00 H new ATOM 752 N LEU A 118 2.420 15.688 38.212 1.00 0.00 N ATOM 753 CA LEU A 118 2.020 15.312 39.562 1.00 0.00 C ATOM 754 C LEU A 118 2.825 16.082 40.598 1.00 0.00 C ATOM 755 O LEU A 118 2.300 16.472 41.640 1.00 0.00 O ATOM 756 CB LEU A 118 2.226 13.808 39.763 1.00 0.00 C ATOM 757 CG LEU A 118 1.201 13.029 38.925 1.00 0.00 C ATOM 758 CD1 LEU A 118 1.584 11.544 38.912 1.00 0.00 C ATOM 759 CD2 LEU A 118 -0.221 13.193 39.512 1.00 0.00 C ATOM 0 H LEU A 118 2.856 14.940 37.673 1.00 0.00 H new ATOM 0 HA LEU A 118 0.966 15.557 39.690 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.238 13.527 39.471 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.117 13.554 40.817 1.00 0.00 H new ATOM 0 HG LEU A 118 1.203 13.423 37.909 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.859 10.987 38.318 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.576 11.428 38.476 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.589 11.161 39.932 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -0.932 12.634 38.904 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.239 12.813 40.533 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -0.495 14.248 39.512 1.00 0.00 H new ATOM 771 N ASN A 119 4.103 16.299 40.306 1.00 0.00 N ATOM 772 CA ASN A 119 4.969 17.028 41.225 1.00 0.00 C ATOM 773 C ASN A 119 4.802 18.534 41.046 1.00 0.00 C ATOM 774 O ASN A 119 5.182 19.317 41.917 1.00 0.00 O ATOM 775 CB ASN A 119 6.426 16.645 40.970 1.00 0.00 C ATOM 776 CG ASN A 119 6.678 15.215 41.435 1.00 0.00 C ATOM 777 OD1 ASN A 119 5.946 14.697 42.277 1.00 0.00 O ATOM 778 ND2 ASN A 119 7.672 14.538 40.925 1.00 0.00 N ATOM 0 H ASN A 119 4.558 15.984 39.449 1.00 0.00 H new ATOM 0 HA ASN A 119 4.690 16.764 42.245 1.00 0.00 H new ATOM 0 HB2 ASN A 119 6.654 16.736 39.908 1.00 0.00 H new ATOM 0 HB3 ASN A 119 7.089 17.330 41.499 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.842 13.578 41.225 1.00 0.00 H new ATOM 0 HD22 ASN A 119 8.278 14.969 40.227 1.00 0.00 H new ATOM 785 N SER A 120 4.229 18.933 39.914 1.00 0.00 N ATOM 786 CA SER A 120 4.011 20.350 39.632 1.00 0.00 C ATOM 787 C SER A 120 2.679 20.808 40.214 1.00 0.00 C ATOM 788 O SER A 120 1.675 20.103 40.117 1.00 0.00 O ATOM 789 CB SER A 120 4.024 20.592 38.123 1.00 0.00 C ATOM 790 OG SER A 120 3.808 21.974 37.868 1.00 0.00 O ATOM 0 H SER A 120 3.909 18.300 39.181 1.00 0.00 H new ATOM 0 HA SER A 120 4.814 20.923 40.095 1.00 0.00 H new ATOM 0 HB2 SER A 120 4.978 20.277 37.701 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.249 19.996 37.641 1.00 0.00 H new ATOM 0 HG SER A 120 3.817 22.134 36.901 1.00 0.00 H new ATOM 796 N CYS A 121 2.675 21.992 40.820 1.00 0.00 N ATOM 797 CA CYS A 121 1.456 22.538 41.419 1.00 0.00 C ATOM 798 C CYS A 121 0.723 23.427 40.426 1.00 0.00 C ATOM 799 O CYS A 121 1.343 24.168 39.664 1.00 0.00 O ATOM 800 CB CYS A 121 1.808 23.347 42.667 1.00 0.00 C ATOM 801 SG CYS A 121 2.521 22.245 43.913 1.00 0.00 S ATOM 0 H CYS A 121 3.496 22.591 40.910 1.00 0.00 H new ATOM 0 HA CYS A 121 0.805 21.708 41.694 1.00 0.00 H new ATOM 0 HB2 CYS A 121 2.516 24.136 42.415 1.00 0.00 H new ATOM 0 HB3 CYS A 121 0.916 23.833 43.063 1.00 0.00 H new ATOM 0 HG CYS A 121 2.824 22.930 44.976 1.00 0.00 H new ATOM 807 N ARG A 122 -0.603 23.345 40.436 1.00 0.00 N ATOM 808 CA ARG A 122 -1.403 24.146 39.522 1.00 0.00 C ATOM 809 C ARG A 122 -1.340 25.630 39.899 1.00 0.00 C ATOM 810 O ARG A 122 -1.218 25.966 41.079 1.00 0.00 O ATOM 811 CB ARG A 122 -2.859 23.665 39.551 1.00 0.00 C ATOM 812 CG ARG A 122 -3.378 23.681 40.988 1.00 0.00 C ATOM 813 CD ARG A 122 -4.875 23.375 40.991 1.00 0.00 C ATOM 814 NE ARG A 122 -5.353 23.236 42.362 1.00 0.00 N ATOM 815 CZ ARG A 122 -5.617 24.302 43.110 1.00 0.00 C ATOM 816 NH1 ARG A 122 -5.442 25.500 42.624 1.00 0.00 N ATOM 817 NH2 ARG A 122 -6.046 24.148 44.333 1.00 0.00 N ATOM 0 H ARG A 122 -1.139 22.740 41.058 1.00 0.00 H new ATOM 0 HA ARG A 122 -0.999 24.029 38.516 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.477 24.308 38.924 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -2.928 22.658 39.141 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -2.844 22.944 41.587 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.194 24.655 41.442 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -5.419 24.174 40.487 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -5.068 22.458 40.435 1.00 0.00 H new ATOM 0 HE ARG A 122 -5.487 22.304 42.754 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -5.102 25.619 41.670 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -5.645 26.318 43.198 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -6.178 23.211 44.713 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -6.249 24.965 44.909 1.00 0.00 H new ATOM 831 N PRO A 123 -1.432 26.518 38.936 1.00 0.00 N ATOM 832 CA PRO A 123 -1.398 27.989 39.198 1.00 0.00 C ATOM 833 C PRO A 123 -2.656 28.475 39.916 1.00 0.00 C ATOM 834 O PRO A 123 -3.742 27.932 39.723 1.00 0.00 O ATOM 835 CB PRO A 123 -1.271 28.603 37.792 1.00 0.00 C ATOM 836 CG PRO A 123 -1.844 27.581 36.861 1.00 0.00 C ATOM 837 CD PRO A 123 -1.568 26.220 37.496 1.00 0.00 C ATOM 0 HA PRO A 123 -0.581 28.275 39.860 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.814 29.545 37.724 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.230 28.817 37.549 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.914 27.736 36.724 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -1.383 27.651 35.876 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -2.382 25.520 37.309 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -0.661 25.769 37.094 1.00 0.00 H new ATOM 845 N SER A 124 -2.495 29.502 40.744 1.00 0.00 N ATOM 846 CA SER A 124 -3.622 30.056 41.482 1.00 0.00 C ATOM 847 C SER A 124 -4.551 30.817 40.545 1.00 0.00 C ATOM 848 O SER A 124 -4.150 31.224 39.453 1.00 0.00 O ATOM 849 CB SER A 124 -3.116 30.993 42.579 1.00 0.00 C ATOM 850 OG SER A 124 -2.563 32.160 41.981 1.00 0.00 O ATOM 0 H SER A 124 -1.603 29.964 40.919 1.00 0.00 H new ATOM 0 HA SER A 124 -4.177 29.235 41.935 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.933 31.265 43.247 1.00 0.00 H new ATOM 0 HB3 SER A 124 -2.363 30.489 43.185 1.00 0.00 H new ATOM 0 HG SER A 124 -2.239 32.764 42.681 1.00 0.00 H new ATOM 856 N ASP A 125 -5.794 31.011 40.976 1.00 0.00 N ATOM 857 CA ASP A 125 -6.772 31.728 40.164 1.00 0.00 C ATOM 858 C ASP A 125 -6.615 33.233 40.351 1.00 0.00 C ATOM 859 O ASP A 125 -6.779 33.753 41.455 1.00 0.00 O ATOM 860 CB ASP A 125 -8.186 31.305 40.564 1.00 0.00 C ATOM 861 CG ASP A 125 -9.209 31.987 39.660 1.00 0.00 C ATOM 862 OD1 ASP A 125 -8.805 32.829 38.873 1.00 0.00 O ATOM 863 OD2 ASP A 125 -10.378 31.657 39.769 1.00 0.00 O ATOM 0 H ASP A 125 -6.146 30.685 41.876 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.603 31.484 39.115 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -8.286 30.222 40.488 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.373 31.570 41.604 1.00 0.00 H new ATOM 868 N ALA A 126 -6.297 33.929 39.263 1.00 0.00 N ATOM 869 CA ALA A 126 -6.121 35.375 39.320 1.00 0.00 C ATOM 870 C ALA A 126 -7.429 36.066 39.692 1.00 0.00 C ATOM 871 O ALA A 126 -7.432 37.057 40.421 1.00 0.00 O ATOM 872 CB ALA A 126 -5.637 35.895 37.966 1.00 0.00 C ATOM 0 H ALA A 126 -6.157 33.519 38.340 1.00 0.00 H new ATOM 0 HA ALA A 126 -5.377 35.598 40.085 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.508 36.976 38.016 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -4.685 35.427 37.716 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.373 35.653 37.199 1.00 0.00 H new ATOM 878 N SER A 127 -8.541 35.539 39.183 1.00 0.00 N ATOM 879 CA SER A 127 -9.848 36.124 39.472 1.00 0.00 C ATOM 880 C SER A 127 -10.382 35.616 40.805 1.00 0.00 C ATOM 881 O SER A 127 -11.259 36.235 41.405 1.00 0.00 O ATOM 882 CB SER A 127 -10.831 35.762 38.359 1.00 0.00 C ATOM 883 OG SER A 127 -10.414 36.374 37.146 1.00 0.00 O ATOM 0 H SER A 127 -8.564 34.719 38.577 1.00 0.00 H new ATOM 0 HA SER A 127 -9.738 37.207 39.529 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.877 34.680 38.237 1.00 0.00 H new ATOM 0 HB3 SER A 127 -11.835 36.096 38.622 1.00 0.00 H new ATOM 0 HG SER A 127 -11.042 36.142 36.430 1.00 0.00 H new ATOM 889 N ALA A 128 -9.842 34.492 41.266 1.00 0.00 N ATOM 890 CA ALA A 128 -10.267 33.918 42.539 1.00 0.00 C ATOM 891 C ALA A 128 -11.629 33.244 42.396 1.00 0.00 C ATOM 892 O ALA A 128 -12.144 32.652 43.344 1.00 0.00 O ATOM 893 CB ALA A 128 -10.326 35.011 43.618 1.00 0.00 C ATOM 0 H ALA A 128 -9.116 33.964 40.782 1.00 0.00 H new ATOM 0 HA ALA A 128 -9.539 33.164 42.839 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.644 34.572 44.564 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.339 35.457 43.739 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.037 35.781 43.318 1.00 0.00 H new ATOM 899 N THR A 129 -12.210 33.347 41.205 1.00 0.00 N ATOM 900 CA THR A 129 -13.516 32.755 40.952 1.00 0.00 C ATOM 901 C THR A 129 -13.418 31.235 40.915 1.00 0.00 C ATOM 902 O THR A 129 -12.416 30.677 40.470 1.00 0.00 O ATOM 903 CB THR A 129 -14.070 33.268 39.621 1.00 0.00 C ATOM 904 OG1 THR A 129 -15.406 32.812 39.460 1.00 0.00 O ATOM 905 CG2 THR A 129 -13.207 32.747 38.470 1.00 0.00 C ATOM 0 H THR A 129 -11.800 33.831 40.406 1.00 0.00 H new ATOM 0 HA THR A 129 -14.188 33.042 41.760 1.00 0.00 H new ATOM 0 HB THR A 129 -14.054 34.358 39.616 1.00 0.00 H new ATOM 0 HG1 THR A 129 -15.764 33.141 38.609 1.00 0.00 H new ATOM 0 HG21 THR A 129 -13.603 33.114 37.523 1.00 0.00 H new ATOM 0 HG22 THR A 129 -12.183 33.099 38.595 1.00 0.00 H new ATOM 0 HG23 THR A 129 -13.219 31.657 38.471 1.00 0.00 H new ATOM 913 N ARG A 130 -14.467 30.570 41.384 1.00 0.00 N ATOM 914 CA ARG A 130 -14.491 29.114 41.399 1.00 0.00 C ATOM 915 C ARG A 130 -14.613 28.563 39.981 1.00 0.00 C ATOM 916 O ARG A 130 -15.207 29.197 39.110 1.00 0.00 O ATOM 917 CB ARG A 130 -15.664 28.620 42.248 1.00 0.00 C ATOM 918 CG ARG A 130 -16.984 29.049 41.602 1.00 0.00 C ATOM 919 CD ARG A 130 -18.145 28.690 42.528 1.00 0.00 C ATOM 920 NE ARG A 130 -18.064 29.459 43.763 1.00 0.00 N ATOM 921 CZ ARG A 130 -18.829 29.162 44.809 1.00 0.00 C ATOM 922 NH1 ARG A 130 -19.670 28.167 44.739 1.00 0.00 N ATOM 923 NH2 ARG A 130 -18.740 29.866 45.903 1.00 0.00 N ATOM 0 H ARG A 130 -15.307 31.013 41.757 1.00 0.00 H new ATOM 0 HA ARG A 130 -13.556 28.758 41.832 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -15.628 27.534 42.339 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -15.592 29.027 43.257 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -16.976 30.122 41.411 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -17.107 28.555 40.638 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -19.093 28.891 42.028 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -18.123 27.624 42.753 1.00 0.00 H new ATOM 0 HE ARG A 130 -17.409 30.239 43.826 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -19.740 27.618 43.882 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -20.257 27.938 45.541 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -18.083 30.645 45.956 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -19.327 29.638 46.705 1.00 0.00 H new ATOM 937 N SER A 131 -14.051 27.381 39.761 1.00 0.00 N ATOM 938 CA SER A 131 -14.106 26.756 38.444 1.00 0.00 C ATOM 939 C SER A 131 -13.729 25.281 38.537 1.00 0.00 C ATOM 940 O SER A 131 -13.999 24.560 37.590 1.00 0.00 O ATOM 941 CB SER A 131 -13.151 27.471 37.486 1.00 0.00 C ATOM 942 OG SER A 131 -11.871 26.860 37.561 1.00 0.00 O ATOM 943 OXT SER A 131 -13.176 24.893 39.552 1.00 0.00 O ATOM 0 H SER A 131 -13.556 26.839 40.470 1.00 0.00 H new ATOM 0 HA SER A 131 -15.125 26.836 38.066 1.00 0.00 H new ATOM 0 HB2 SER A 131 -13.533 27.419 36.466 1.00 0.00 H new ATOM 0 HB3 SER A 131 -13.079 28.527 37.746 1.00 0.00 H new ATOM 0 HG SER A 131 -11.256 27.313 36.948 1.00 0.00 H new TER 949 SER A 131