USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 836 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 93 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 1.2: A 95 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.2!) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= -0.369 (180deg=-0.384) USER MOD Single : A 14 CYS SG : rot 91:sc= -8.83! USER MOD Single : A 15 CYS SG : rot 41:sc= -0.109 USER MOD Single : A 20 THR OG1 : rot -75:sc= -1.37 USER MOD Single : A 21 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.17) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 26 GLN : amide:sc= -0.0565 K(o=-0.056,f=-1.1) USER MOD Single : A 30 MET CE :methyl -125:sc= -0.0614 (180deg=-1.3!) USER MOD Single : A 32 GLN : amide:sc= -0.186 X(o=-0.19,f=0.29) USER MOD Single : A 34 CYS SG : rot -38:sc= -2.99! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -150:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00614 USER MOD Single : A 52 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.094) USER MOD Single : A 58 GLN : amide:sc= -0.927 K(o=-0.93,f=-2.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0067 USER MOD Single : A 66 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.91 K(o=-0.91,f=-3.8!) USER MOD Single : A 75 CYS SG : rot -45:sc= 0.706 USER MOD Single : A 81 THR OG1 : rot 132:sc= -0.929 USER MOD Single : A 88 SER OG : rot 83:sc= 1.24 USER MOD Single : A 92 TYR OH : rot 18:sc= 0.00877 USER MOD Single : A 94 CYS SG : rot 51:sc= -0.298 USER MOD Single : A 99 THR OG1 : rot -160:sc= -2.36 USER MOD Single : A 100 TYR OH : rot 70:sc= 0.0819 USER MOD Single : A 104 GLN : amide:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.18) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HE2:sc= 0.577 K(o=0.58,f=-2.9!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.762 -17.507 -1.089 1.00 0.00 N ATOM 2 CA GLY A 1 -23.774 -17.231 -2.168 1.00 0.00 C ATOM 3 C GLY A 1 -22.766 -18.352 -2.334 1.00 0.00 C ATOM 4 O GLY A 1 -21.832 -18.477 -1.542 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.428 -16.711 -1.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.286 -18.377 -1.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.264 -17.625 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.302 -17.079 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.247 -16.303 -1.945 1.00 0.00 H new ATOM 10 N SER A 2 -22.955 -19.166 -3.367 1.00 0.00 N ATOM 11 CA SER A 2 -22.054 -20.283 -3.635 1.00 0.00 C ATOM 12 C SER A 2 -21.178 -19.994 -4.849 1.00 0.00 C ATOM 13 O SER A 2 -21.527 -19.171 -5.696 1.00 0.00 O ATOM 14 CB SER A 2 -22.853 -21.567 -3.863 1.00 0.00 C ATOM 15 OG SER A 2 -23.898 -21.359 -4.797 1.00 0.00 O ATOM 0 H SER A 2 -23.723 -19.074 -4.032 1.00 0.00 H new ATOM 0 HA SER A 2 -21.409 -20.414 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.189 -22.353 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.270 -21.912 -2.917 1.00 0.00 H new ATOM 0 HG SER A 2 -24.392 -22.195 -4.926 1.00 0.00 H new ATOM 21 N GLN A 3 -20.038 -20.673 -4.926 1.00 0.00 N ATOM 22 CA GLN A 3 -19.111 -20.487 -6.037 1.00 0.00 C ATOM 23 C GLN A 3 -18.650 -19.037 -6.122 1.00 0.00 C ATOM 24 O GLN A 3 -19.353 -18.182 -6.662 1.00 0.00 O ATOM 25 CB GLN A 3 -19.770 -20.903 -7.354 1.00 0.00 C ATOM 26 CG GLN A 3 -20.488 -22.240 -7.279 1.00 0.00 C ATOM 27 CD GLN A 3 -20.882 -22.767 -8.644 1.00 0.00 C ATOM 28 OE1 GLN A 3 -20.070 -22.797 -9.569 1.00 0.00 O ATOM 29 NE2 GLN A 3 -22.136 -23.187 -8.778 1.00 0.00 N ATOM 0 H GLN A 3 -19.734 -21.357 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 3 -18.239 -21.117 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -20.482 -20.134 -7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -19.008 -20.952 -8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -19.844 -22.967 -6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -21.381 -22.135 -6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -22.776 -23.144 -7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -22.459 -23.552 -9.674 1.00 0.00 H new ATOM 38 N ASP A 4 -17.468 -18.763 -5.582 1.00 0.00 N ATOM 39 CA ASP A 4 -16.916 -17.413 -5.595 1.00 0.00 C ATOM 40 C ASP A 4 -15.658 -17.343 -6.452 1.00 0.00 C ATOM 41 O ASP A 4 -15.535 -16.484 -7.326 1.00 0.00 O ATOM 42 CB ASP A 4 -16.603 -16.955 -4.171 1.00 0.00 C ATOM 43 CG ASP A 4 -17.817 -17.010 -3.265 1.00 0.00 C ATOM 44 OD1 ASP A 4 -18.320 -18.126 -3.012 1.00 0.00 O ATOM 45 OD2 ASP A 4 -18.266 -15.937 -2.807 1.00 0.00 O ATOM 0 H ASP A 4 -16.873 -19.457 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 4 -17.663 -16.748 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.815 -17.583 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.218 -15.935 -4.197 1.00 0.00 H new ATOM 50 N ARG A 5 -14.724 -18.248 -6.190 1.00 0.00 N ATOM 51 CA ARG A 5 -13.468 -18.291 -6.932 1.00 0.00 C ATOM 52 C ARG A 5 -12.738 -16.955 -6.836 1.00 0.00 C ATOM 53 O ARG A 5 -13.001 -16.035 -7.611 1.00 0.00 O ATOM 54 CB ARG A 5 -13.729 -18.644 -8.399 1.00 0.00 C ATOM 55 CG ARG A 5 -13.422 -20.094 -8.738 1.00 0.00 C ATOM 56 CD ARG A 5 -11.930 -20.377 -8.676 1.00 0.00 C ATOM 57 NE ARG A 5 -11.640 -21.807 -8.752 1.00 0.00 N ATOM 58 CZ ARG A 5 -11.714 -22.519 -9.873 1.00 0.00 C ATOM 59 NH1 ARG A 5 -12.068 -21.940 -11.013 1.00 0.00 N ATOM 60 NH2 ARG A 5 -11.433 -23.816 -9.856 1.00 0.00 N ATOM 0 H ARG A 5 -14.811 -18.964 -5.468 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.837 -19.062 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.773 -18.438 -8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.125 -17.995 -9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.947 -20.750 -8.044 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.795 -20.322 -9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.429 -19.862 -9.495 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.523 -19.973 -7.749 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.365 -22.287 -7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.285 -20.944 -11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.123 -22.491 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.160 -24.267 -8.983 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.490 -24.361 -10.716 1.00 0.00 H new ATOM 74 N LYS A 6 -11.824 -16.855 -5.877 1.00 0.00 N ATOM 75 CA LYS A 6 -11.059 -15.629 -5.673 1.00 0.00 C ATOM 76 C LYS A 6 -9.572 -15.864 -5.930 1.00 0.00 C ATOM 77 O LYS A 6 -9.020 -16.895 -5.542 1.00 0.00 O ATOM 78 CB LYS A 6 -11.273 -15.103 -4.252 1.00 0.00 C ATOM 79 CG LYS A 6 -12.724 -15.138 -3.798 1.00 0.00 C ATOM 80 CD LYS A 6 -13.421 -13.814 -4.068 1.00 0.00 C ATOM 81 CE LYS A 6 -14.839 -13.804 -3.516 1.00 0.00 C ATOM 82 NZ LYS A 6 -15.843 -13.485 -4.570 1.00 0.00 N ATOM 0 H LYS A 6 -11.594 -17.608 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.414 -14.883 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.671 -15.694 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.909 -14.077 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.250 -15.940 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.768 -15.364 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.849 -13.003 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.447 -13.628 -5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.066 -14.777 -3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.911 -13.071 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.800 -13.554 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.683 -12.519 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.747 -14.159 -5.356 1.00 0.00 H new ATOM 96 N ILE A 7 -8.930 -14.903 -6.590 1.00 0.00 N ATOM 97 CA ILE A 7 -7.507 -15.005 -6.904 1.00 0.00 C ATOM 98 C ILE A 7 -6.639 -14.585 -5.722 1.00 0.00 C ATOM 99 O ILE A 7 -5.450 -14.901 -5.673 1.00 0.00 O ATOM 100 CB ILE A 7 -7.137 -14.135 -8.120 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.585 -12.687 -7.898 1.00 0.00 C ATOM 102 CG2 ILE A 7 -7.757 -14.702 -9.387 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.441 -11.698 -7.887 1.00 0.00 C ATOM 0 H ILE A 7 -9.373 -14.045 -6.918 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.317 -16.053 -7.135 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.053 -14.144 -8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.289 -12.408 -8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.121 -12.622 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.486 -14.075 -10.237 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.389 -15.715 -9.551 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.842 -14.723 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.831 -10.693 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.748 -11.952 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.919 -11.735 -8.843 1.00 0.00 H new ATOM 115 N PHE A 8 -7.233 -13.868 -4.775 1.00 0.00 N ATOM 116 CA PHE A 8 -6.506 -13.403 -3.600 1.00 0.00 C ATOM 117 C PHE A 8 -6.658 -14.388 -2.443 1.00 0.00 C ATOM 118 O PHE A 8 -5.684 -14.696 -1.755 1.00 0.00 O ATOM 119 CB PHE A 8 -7.000 -12.010 -3.197 1.00 0.00 C ATOM 120 CG PHE A 8 -6.560 -10.906 -4.128 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.456 -11.063 -4.957 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.249 -9.704 -4.169 1.00 0.00 C ATOM 123 CE1 PHE A 8 -5.056 -10.048 -5.806 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.853 -8.686 -5.015 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.755 -8.859 -5.833 1.00 0.00 C ATOM 0 H PHE A 8 -8.216 -13.596 -4.798 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.446 -13.340 -3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.089 -12.021 -3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.643 -11.787 -2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.903 -11.990 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.108 -9.561 -3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.198 -10.186 -6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.402 -7.756 -5.036 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.443 -8.064 -6.494 1.00 0.00 H new ATOM 135 N ARG A 9 -7.881 -14.888 -2.244 1.00 0.00 N ATOM 136 CA ARG A 9 -8.172 -15.856 -1.183 1.00 0.00 C ATOM 137 C ARG A 9 -7.354 -15.582 0.076 1.00 0.00 C ATOM 138 O ARG A 9 -6.293 -16.171 0.280 1.00 0.00 O ATOM 139 CB ARG A 9 -7.905 -17.281 -1.674 1.00 0.00 C ATOM 140 CG ARG A 9 -6.539 -17.460 -2.317 1.00 0.00 C ATOM 141 CD ARG A 9 -6.082 -18.909 -2.260 1.00 0.00 C ATOM 142 NE ARG A 9 -5.532 -19.257 -0.951 1.00 0.00 N ATOM 143 CZ ARG A 9 -4.619 -20.209 -0.756 1.00 0.00 C ATOM 144 NH1 ARG A 9 -4.159 -20.923 -1.777 1.00 0.00 N ATOM 145 NH2 ARG A 9 -4.168 -20.450 0.467 1.00 0.00 N ATOM 0 H ARG A 9 -8.692 -14.635 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.226 -15.751 -0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.994 -17.968 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.675 -17.558 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.578 -17.130 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.811 -16.827 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.923 -19.564 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.328 -19.082 -3.028 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.867 -18.740 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.504 -20.745 -2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.461 -21.649 -1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.519 -19.908 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.470 -21.178 0.619 1.00 0.00 H new ATOM 159 N GLY A 10 -7.852 -14.681 0.911 1.00 0.00 N ATOM 160 CA GLY A 10 -7.149 -14.341 2.134 1.00 0.00 C ATOM 161 C GLY A 10 -6.049 -13.334 1.887 1.00 0.00 C ATOM 162 O GLY A 10 -4.865 -13.645 2.019 1.00 0.00 O ATOM 0 H GLY A 10 -8.728 -14.180 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.855 -13.937 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.724 -15.244 2.572 1.00 0.00 H new ATOM 166 N LEU A 11 -6.446 -12.127 1.515 1.00 0.00 N ATOM 167 CA LEU A 11 -5.497 -11.062 1.230 1.00 0.00 C ATOM 168 C LEU A 11 -5.986 -9.734 1.800 1.00 0.00 C ATOM 169 O LEU A 11 -7.187 -9.518 1.949 1.00 0.00 O ATOM 170 CB LEU A 11 -5.290 -10.947 -0.281 1.00 0.00 C ATOM 171 CG LEU A 11 -3.900 -10.492 -0.715 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.614 -10.938 -2.142 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.774 -8.982 -0.585 1.00 0.00 C ATOM 0 H LEU A 11 -7.424 -11.860 1.403 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.546 -11.304 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.495 -11.917 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.025 -10.247 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.162 -10.955 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.618 -10.605 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.665 -12.025 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.354 -10.504 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.777 -8.672 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.519 -8.499 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.935 -8.691 0.453 1.00 0.00 H new ATOM 185 N GLU A 12 -5.048 -8.848 2.121 1.00 0.00 N ATOM 186 CA GLU A 12 -5.386 -7.542 2.679 1.00 0.00 C ATOM 187 C GLU A 12 -4.654 -6.430 1.935 1.00 0.00 C ATOM 188 O GLU A 12 -3.424 -6.398 1.903 1.00 0.00 O ATOM 189 CB GLU A 12 -5.036 -7.498 4.169 1.00 0.00 C ATOM 190 CG GLU A 12 -6.254 -7.518 5.077 1.00 0.00 C ATOM 191 CD GLU A 12 -6.019 -8.302 6.354 1.00 0.00 C ATOM 192 OE1 GLU A 12 -4.864 -8.330 6.828 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.990 -8.886 6.879 1.00 0.00 O ATOM 0 H GLU A 12 -4.048 -9.010 2.004 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.458 -7.386 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.399 -8.349 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.456 -6.598 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.531 -6.494 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.096 -7.952 4.539 1.00 0.00 H new ATOM 200 N ILE A 13 -5.417 -5.523 1.329 1.00 0.00 N ATOM 201 CA ILE A 13 -4.834 -4.415 0.579 1.00 0.00 C ATOM 202 C ILE A 13 -5.447 -3.077 0.981 1.00 0.00 C ATOM 203 O ILE A 13 -6.662 -2.891 0.907 1.00 0.00 O ATOM 204 CB ILE A 13 -5.018 -4.607 -0.940 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.565 -6.005 -1.367 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.253 -3.540 -1.706 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.620 -6.767 -2.136 1.00 0.00 C ATOM 0 H ILE A 13 -6.437 -5.534 1.343 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.771 -4.407 0.819 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.078 -4.507 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.670 -5.917 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.288 -6.576 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.393 -3.690 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.624 -2.554 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.192 -3.610 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.234 -7.749 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.508 -6.886 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.880 -6.216 -3.040 1.00 0.00 H new ATOM 219 N CYS A 14 -4.595 -2.145 1.398 1.00 0.00 N ATOM 220 CA CYS A 14 -5.048 -0.818 1.799 1.00 0.00 C ATOM 221 C CYS A 14 -4.661 0.225 0.757 1.00 0.00 C ATOM 222 O CYS A 14 -3.534 0.235 0.261 1.00 0.00 O ATOM 223 CB CYS A 14 -4.457 -0.439 3.157 1.00 0.00 C ATOM 224 SG CYS A 14 -2.657 -0.276 3.164 1.00 0.00 S ATOM 0 H CYS A 14 -3.587 -2.285 1.467 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.135 -0.843 1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.897 0.504 3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.745 -1.194 3.889 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.332 0.955 2.900 1.00 0.00 H new ATOM 230 N CYS A 15 -5.603 1.104 0.428 1.00 0.00 N ATOM 231 CA CYS A 15 -5.361 2.153 -0.554 1.00 0.00 C ATOM 232 C CYS A 15 -4.925 3.444 0.133 1.00 0.00 C ATOM 233 O CYS A 15 -5.754 4.197 0.643 1.00 0.00 O ATOM 234 CB CYS A 15 -6.621 2.399 -1.388 1.00 0.00 C ATOM 235 SG CYS A 15 -8.088 2.803 -0.410 1.00 0.00 S ATOM 0 H CYS A 15 -6.541 1.110 0.828 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.558 1.826 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.428 3.213 -2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.828 1.510 -1.984 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.757 3.608 0.556 1.00 0.00 H new ATOM 241 N TYR A 16 -3.619 3.689 0.145 1.00 0.00 N ATOM 242 CA TYR A 16 -3.074 4.887 0.774 1.00 0.00 C ATOM 243 C TYR A 16 -2.903 6.008 -0.246 1.00 0.00 C ATOM 244 O TYR A 16 -2.076 5.914 -1.153 1.00 0.00 O ATOM 245 CB TYR A 16 -1.731 4.575 1.436 1.00 0.00 C ATOM 246 CG TYR A 16 -1.384 5.509 2.573 1.00 0.00 C ATOM 247 CD1 TYR A 16 -0.749 6.721 2.334 1.00 0.00 C ATOM 248 CD2 TYR A 16 -1.692 5.178 3.887 1.00 0.00 C ATOM 249 CE1 TYR A 16 -0.431 7.577 3.371 1.00 0.00 C ATOM 250 CE2 TYR A 16 -1.375 6.028 4.930 1.00 0.00 C ATOM 251 CZ TYR A 16 -0.746 7.226 4.667 1.00 0.00 C ATOM 252 OH TYR A 16 -0.429 8.075 5.703 1.00 0.00 O ATOM 0 H TYR A 16 -2.919 3.075 -0.273 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.779 5.219 1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.749 3.552 1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.944 4.625 0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.500 6.999 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.187 4.241 4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.062 8.516 3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.619 5.755 5.946 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.720 7.679 6.551 1.00 0.00 H new ATOM 262 N GLY A 17 -3.691 7.066 -0.091 1.00 0.00 N ATOM 263 CA GLY A 17 -3.612 8.192 -1.005 1.00 0.00 C ATOM 264 C GLY A 17 -4.897 8.391 -1.787 1.00 0.00 C ATOM 265 O GLY A 17 -5.706 7.470 -1.899 1.00 0.00 O ATOM 0 H GLY A 17 -4.384 7.165 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.388 9.098 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.787 8.036 -1.700 1.00 0.00 H new ATOM 269 N PRO A 18 -5.120 9.596 -2.339 1.00 0.00 N ATOM 270 CA PRO A 18 -6.323 9.903 -3.110 1.00 0.00 C ATOM 271 C PRO A 18 -6.230 9.440 -4.563 1.00 0.00 C ATOM 272 O PRO A 18 -7.233 9.404 -5.274 1.00 0.00 O ATOM 273 CB PRO A 18 -6.385 11.425 -3.040 1.00 0.00 C ATOM 274 CG PRO A 18 -4.958 11.852 -2.981 1.00 0.00 C ATOM 275 CD PRO A 18 -4.214 10.760 -2.250 1.00 0.00 C ATOM 0 HA PRO A 18 -7.204 9.396 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.889 11.843 -3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.937 11.760 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.554 11.993 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.859 12.804 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.250 10.553 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.016 11.035 -1.214 1.00 0.00 H new ATOM 283 N PHE A 19 -5.019 9.095 -4.998 1.00 0.00 N ATOM 284 CA PHE A 19 -4.796 8.643 -6.369 1.00 0.00 C ATOM 285 C PHE A 19 -5.111 9.754 -7.365 1.00 0.00 C ATOM 286 O PHE A 19 -4.209 10.418 -7.875 1.00 0.00 O ATOM 287 CB PHE A 19 -5.645 7.405 -6.676 1.00 0.00 C ATOM 288 CG PHE A 19 -5.174 6.163 -5.975 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.102 6.120 -4.592 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.805 5.040 -6.697 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.670 4.980 -3.941 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.372 3.896 -6.052 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.304 3.867 -4.673 1.00 0.00 C ATOM 0 H PHE A 19 -4.178 9.120 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.743 8.378 -6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.678 7.603 -6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.640 7.229 -7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.387 6.988 -4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.856 5.058 -7.776 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.619 4.959 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.087 3.026 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.965 2.975 -4.167 1.00 0.00 H new ATOM 303 N THR A 20 -6.395 9.949 -7.638 1.00 0.00 N ATOM 304 CA THR A 20 -6.833 10.979 -8.572 1.00 0.00 C ATOM 305 C THR A 20 -7.946 11.826 -7.965 1.00 0.00 C ATOM 306 O THR A 20 -7.717 12.959 -7.541 1.00 0.00 O ATOM 307 CB THR A 20 -7.314 10.341 -9.877 1.00 0.00 C ATOM 308 OG1 THR A 20 -7.823 9.040 -9.643 1.00 0.00 O ATOM 309 CG2 THR A 20 -6.226 10.226 -10.924 1.00 0.00 C ATOM 0 H THR A 20 -7.153 9.406 -7.225 1.00 0.00 H new ATOM 0 HA THR A 20 -5.983 11.628 -8.784 1.00 0.00 H new ATOM 0 HB THR A 20 -8.091 11.007 -10.254 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.079 8.420 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.634 9.766 -11.824 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.846 11.219 -11.165 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.413 9.611 -10.538 1.00 0.00 H new ATOM 317 N ASN A 21 -9.153 11.270 -7.929 1.00 0.00 N ATOM 318 CA ASN A 21 -10.304 11.974 -7.374 1.00 0.00 C ATOM 319 C ASN A 21 -11.550 11.095 -7.416 1.00 0.00 C ATOM 320 O ASN A 21 -12.649 11.569 -7.709 1.00 0.00 O ATOM 321 CB ASN A 21 -10.553 13.274 -8.143 1.00 0.00 C ATOM 322 CG ASN A 21 -10.682 14.474 -7.224 1.00 0.00 C ATOM 323 OD1 ASN A 21 -11.300 14.393 -6.164 1.00 0.00 O ATOM 324 ND2 ASN A 21 -10.097 15.595 -7.630 1.00 0.00 N ATOM 0 H ASN A 21 -9.359 10.334 -8.278 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.086 12.214 -6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.734 13.442 -8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.463 13.174 -8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.150 16.435 -7.054 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.595 15.616 -8.517 1.00 0.00 H new ATOM 331 N MET A 22 -11.374 9.810 -7.118 1.00 0.00 N ATOM 332 CA MET A 22 -12.483 8.863 -7.122 1.00 0.00 C ATOM 333 C MET A 22 -11.999 7.452 -6.788 1.00 0.00 C ATOM 334 O MET A 22 -12.544 6.798 -5.898 1.00 0.00 O ATOM 335 CB MET A 22 -13.188 8.867 -8.482 1.00 0.00 C ATOM 336 CG MET A 22 -14.704 8.930 -8.380 1.00 0.00 C ATOM 337 SD MET A 22 -15.502 9.073 -9.990 1.00 0.00 S ATOM 338 CE MET A 22 -16.868 7.930 -9.796 1.00 0.00 C ATOM 0 H MET A 22 -10.473 9.402 -6.871 1.00 0.00 H new ATOM 0 HA MET A 22 -13.192 9.175 -6.355 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.835 9.719 -9.063 1.00 0.00 H new ATOM 0 HB3 MET A 22 -12.906 7.969 -9.031 1.00 0.00 H new ATOM 0 HG2 MET A 22 -15.068 8.034 -7.876 1.00 0.00 H new ATOM 0 HG3 MET A 22 -14.988 9.781 -7.761 1.00 0.00 H new ATOM 0 HE1 MET A 22 -17.457 7.908 -10.713 1.00 0.00 H new ATOM 0 HE2 MET A 22 -16.481 6.932 -9.589 1.00 0.00 H new ATOM 0 HE3 MET A 22 -17.498 8.254 -8.968 1.00 0.00 H new ATOM 348 N PRO A 23 -10.971 6.959 -7.503 1.00 0.00 N ATOM 349 CA PRO A 23 -10.424 5.616 -7.275 1.00 0.00 C ATOM 350 C PRO A 23 -9.968 5.409 -5.833 1.00 0.00 C ATOM 351 O PRO A 23 -8.789 5.562 -5.515 1.00 0.00 O ATOM 352 CB PRO A 23 -9.227 5.544 -8.229 1.00 0.00 C ATOM 353 CG PRO A 23 -9.516 6.558 -9.281 1.00 0.00 C ATOM 354 CD PRO A 23 -10.263 7.663 -8.589 1.00 0.00 C ATOM 0 HA PRO A 23 -11.171 4.842 -7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.294 5.767 -7.711 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.123 4.548 -8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.595 6.930 -9.730 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.112 6.128 -10.086 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.587 8.426 -8.202 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.957 8.165 -9.264 1.00 0.00 H new ATOM 362 N THR A 24 -10.912 5.057 -4.967 1.00 0.00 N ATOM 363 CA THR A 24 -10.612 4.824 -3.559 1.00 0.00 C ATOM 364 C THR A 24 -11.507 3.723 -2.996 1.00 0.00 C ATOM 365 O THR A 24 -11.021 2.730 -2.451 1.00 0.00 O ATOM 366 CB THR A 24 -10.791 6.115 -2.752 1.00 0.00 C ATOM 367 OG1 THR A 24 -11.106 7.202 -3.605 1.00 0.00 O ATOM 368 CG2 THR A 24 -9.561 6.498 -1.958 1.00 0.00 C ATOM 0 H THR A 24 -11.893 4.927 -5.216 1.00 0.00 H new ATOM 0 HA THR A 24 -9.573 4.503 -3.479 1.00 0.00 H new ATOM 0 HB THR A 24 -11.605 5.910 -2.057 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.218 8.016 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.754 7.420 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.320 5.701 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.722 6.649 -2.637 1.00 0.00 H new ATOM 376 N ASP A 25 -12.816 3.896 -3.151 1.00 0.00 N ATOM 377 CA ASP A 25 -13.777 2.910 -2.675 1.00 0.00 C ATOM 378 C ASP A 25 -13.977 1.834 -3.729 1.00 0.00 C ATOM 379 O ASP A 25 -14.287 0.684 -3.418 1.00 0.00 O ATOM 380 CB ASP A 25 -15.113 3.577 -2.341 1.00 0.00 C ATOM 381 CG ASP A 25 -15.045 4.405 -1.073 1.00 0.00 C ATOM 382 OD1 ASP A 25 -13.950 4.914 -0.755 1.00 0.00 O ATOM 383 OD2 ASP A 25 -16.087 4.546 -0.400 1.00 0.00 O ATOM 0 H ASP A 25 -13.234 4.710 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.386 2.452 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.415 4.214 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.881 2.811 -2.231 1.00 0.00 H new ATOM 388 N GLN A 26 -13.779 2.218 -4.984 1.00 0.00 N ATOM 389 CA GLN A 26 -13.913 1.298 -6.097 1.00 0.00 C ATOM 390 C GLN A 26 -12.700 0.377 -6.161 1.00 0.00 C ATOM 391 O GLN A 26 -12.791 -0.758 -6.628 1.00 0.00 O ATOM 392 CB GLN A 26 -14.053 2.080 -7.403 1.00 0.00 C ATOM 393 CG GLN A 26 -15.102 1.510 -8.342 1.00 0.00 C ATOM 394 CD GLN A 26 -14.727 1.671 -9.803 1.00 0.00 C ATOM 395 OE1 GLN A 26 -13.862 2.476 -10.148 1.00 0.00 O ATOM 396 NE2 GLN A 26 -15.378 0.903 -10.668 1.00 0.00 N ATOM 0 H GLN A 26 -13.523 3.168 -5.253 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.806 0.690 -5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -14.307 3.114 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.090 2.095 -7.913 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.245 0.452 -8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.056 2.005 -8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.088 0.250 -10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.169 0.966 -11.664 1.00 0.00 H new ATOM 405 N LEU A 27 -11.566 0.877 -5.678 1.00 0.00 N ATOM 406 CA LEU A 27 -10.330 0.108 -5.667 1.00 0.00 C ATOM 407 C LEU A 27 -10.394 -0.996 -4.618 1.00 0.00 C ATOM 408 O LEU A 27 -10.123 -2.160 -4.913 1.00 0.00 O ATOM 409 CB LEU A 27 -9.137 1.026 -5.394 1.00 0.00 C ATOM 410 CG LEU A 27 -7.774 0.331 -5.379 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.270 0.119 -6.798 1.00 0.00 C ATOM 412 CD2 LEU A 27 -6.773 1.141 -4.570 1.00 0.00 C ATOM 0 H LEU A 27 -11.480 1.816 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.203 -0.353 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.120 1.809 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.288 1.516 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.888 -0.644 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.300 -0.376 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.978 -0.502 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.171 1.083 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.809 0.632 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.661 2.130 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.130 1.242 -3.545 1.00 0.00 H new ATOM 424 N GLU A 28 -10.758 -0.627 -3.392 1.00 0.00 N ATOM 425 CA GLU A 28 -10.859 -1.602 -2.312 1.00 0.00 C ATOM 426 C GLU A 28 -11.945 -2.627 -2.616 1.00 0.00 C ATOM 427 O GLU A 28 -11.875 -3.772 -2.171 1.00 0.00 O ATOM 428 CB GLU A 28 -11.140 -0.907 -0.978 1.00 0.00 C ATOM 429 CG GLU A 28 -12.200 0.178 -1.064 1.00 0.00 C ATOM 430 CD GLU A 28 -13.196 0.113 0.077 1.00 0.00 C ATOM 431 OE1 GLU A 28 -14.097 -0.752 0.029 1.00 0.00 O ATOM 432 OE2 GLU A 28 -13.077 0.926 1.018 1.00 0.00 O ATOM 0 H GLU A 28 -10.986 0.331 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.904 -2.122 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.456 -1.654 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.214 -0.469 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.716 1.155 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.732 0.087 -2.011 1.00 0.00 H new ATOM 439 N TRP A 29 -12.938 -2.216 -3.394 1.00 0.00 N ATOM 440 CA TRP A 29 -14.021 -3.111 -3.776 1.00 0.00 C ATOM 441 C TRP A 29 -13.492 -4.166 -4.741 1.00 0.00 C ATOM 442 O TRP A 29 -13.701 -5.365 -4.553 1.00 0.00 O ATOM 443 CB TRP A 29 -15.158 -2.314 -4.427 1.00 0.00 C ATOM 444 CG TRP A 29 -16.030 -3.132 -5.331 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.874 -4.135 -4.960 1.00 0.00 C ATOM 446 CD2 TRP A 29 -16.137 -3.023 -6.755 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.507 -4.653 -6.064 1.00 0.00 N ATOM 448 CE2 TRP A 29 -17.071 -3.987 -7.178 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.537 -2.200 -7.713 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.419 -4.150 -8.517 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.881 -2.364 -9.042 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.815 -3.332 -9.433 1.00 0.00 C ATOM 0 H TRP A 29 -13.015 -1.272 -3.772 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.412 -3.606 -2.887 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.775 -1.873 -3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.731 -1.490 -4.998 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.024 -4.474 -3.945 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.190 -5.410 -6.055 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.818 -1.450 -7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -18.139 -4.895 -8.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.422 -1.736 -9.791 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -17.064 -3.435 -10.479 1.00 0.00 H new ATOM 463 N MET A 30 -12.798 -3.697 -5.769 1.00 0.00 N ATOM 464 CA MET A 30 -12.220 -4.577 -6.777 1.00 0.00 C ATOM 465 C MET A 30 -11.344 -5.644 -6.126 1.00 0.00 C ATOM 466 O MET A 30 -11.475 -6.831 -6.426 1.00 0.00 O ATOM 467 CB MET A 30 -11.402 -3.767 -7.783 1.00 0.00 C ATOM 468 CG MET A 30 -12.235 -2.789 -8.596 1.00 0.00 C ATOM 469 SD MET A 30 -11.305 -1.324 -9.081 1.00 0.00 S ATOM 470 CE MET A 30 -10.110 -2.038 -10.209 1.00 0.00 C ATOM 0 H MET A 30 -12.621 -2.705 -5.928 1.00 0.00 H new ATOM 0 HA MET A 30 -13.035 -5.074 -7.303 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.628 -3.216 -7.249 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.895 -4.452 -8.462 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.608 -3.290 -9.489 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.105 -2.486 -8.013 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.103 -1.774 -9.887 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.217 -3.123 -10.214 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.282 -1.652 -11.214 1.00 0.00 H new ATOM 480 N VAL A 31 -10.458 -5.222 -5.223 1.00 0.00 N ATOM 481 CA VAL A 31 -9.585 -6.165 -4.534 1.00 0.00 C ATOM 482 C VAL A 31 -10.418 -7.144 -3.720 1.00 0.00 C ATOM 483 O VAL A 31 -10.183 -8.352 -3.741 1.00 0.00 O ATOM 484 CB VAL A 31 -8.585 -5.455 -3.599 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.588 -4.630 -4.398 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.311 -4.582 -2.593 1.00 0.00 C ATOM 0 H VAL A 31 -10.329 -4.246 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.016 -6.695 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.035 -6.222 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.893 -4.139 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.034 -5.282 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.121 -3.877 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.584 -4.092 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.894 -3.827 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.977 -5.199 -1.990 1.00 0.00 H new ATOM 496 N GLN A 32 -11.406 -6.605 -3.016 1.00 0.00 N ATOM 497 CA GLN A 32 -12.304 -7.412 -2.201 1.00 0.00 C ATOM 498 C GLN A 32 -13.007 -8.452 -3.065 1.00 0.00 C ATOM 499 O GLN A 32 -13.261 -9.575 -2.630 1.00 0.00 O ATOM 500 CB GLN A 32 -13.334 -6.512 -1.511 1.00 0.00 C ATOM 501 CG GLN A 32 -13.130 -6.389 -0.012 1.00 0.00 C ATOM 502 CD GLN A 32 -13.752 -5.129 0.560 1.00 0.00 C ATOM 503 OE1 GLN A 32 -13.587 -4.039 0.012 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.472 -5.274 1.665 1.00 0.00 N ATOM 0 H GLN A 32 -11.606 -5.605 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.721 -7.929 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.292 -5.518 -1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.333 -6.905 -1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.561 -7.259 0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.062 -6.395 0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.582 -6.197 2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.916 -4.462 2.095 1.00 0.00 H new ATOM 513 N LEU A 33 -13.306 -8.062 -4.298 1.00 0.00 N ATOM 514 CA LEU A 33 -13.968 -8.944 -5.251 1.00 0.00 C ATOM 515 C LEU A 33 -13.032 -10.063 -5.703 1.00 0.00 C ATOM 516 O LEU A 33 -13.479 -11.099 -6.196 1.00 0.00 O ATOM 517 CB LEU A 33 -14.450 -8.142 -6.461 1.00 0.00 C ATOM 518 CG LEU A 33 -15.407 -8.882 -7.396 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.558 -9.491 -6.612 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.930 -7.942 -8.473 1.00 0.00 C ATOM 0 H LEU A 33 -13.098 -7.133 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.827 -9.397 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.944 -7.238 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.580 -7.824 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.859 -9.690 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.228 -10.013 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.166 -10.196 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.107 -8.701 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.610 -8.484 -9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.461 -7.113 -8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.094 -7.555 -9.055 1.00 0.00 H new ATOM 532 N CYS A 34 -11.729 -9.840 -5.545 1.00 0.00 N ATOM 533 CA CYS A 34 -10.726 -10.819 -5.952 1.00 0.00 C ATOM 534 C CYS A 34 -10.335 -11.746 -4.800 1.00 0.00 C ATOM 535 O CYS A 34 -9.549 -12.674 -4.988 1.00 0.00 O ATOM 536 CB CYS A 34 -9.484 -10.108 -6.489 1.00 0.00 C ATOM 537 SG CYS A 34 -9.633 -9.557 -8.205 1.00 0.00 S ATOM 0 H CYS A 34 -11.344 -8.988 -5.137 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.166 -11.431 -6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.272 -9.245 -5.859 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.630 -10.780 -6.407 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.292 -10.444 -8.890 1.00 0.00 H new ATOM 543 N GLY A 35 -10.885 -11.499 -3.610 1.00 0.00 N ATOM 544 CA GLY A 35 -10.575 -12.338 -2.464 1.00 0.00 C ATOM 545 C GLY A 35 -9.835 -11.600 -1.364 1.00 0.00 C ATOM 546 O GLY A 35 -9.569 -12.166 -0.303 1.00 0.00 O ATOM 0 H GLY A 35 -11.536 -10.737 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.501 -12.745 -2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.972 -13.184 -2.794 1.00 0.00 H new ATOM 550 N ALA A 36 -9.499 -10.340 -1.612 1.00 0.00 N ATOM 551 CA ALA A 36 -8.784 -9.537 -0.629 1.00 0.00 C ATOM 552 C ALA A 36 -9.743 -8.860 0.338 1.00 0.00 C ATOM 553 O ALA A 36 -10.960 -9.018 0.246 1.00 0.00 O ATOM 554 CB ALA A 36 -7.922 -8.499 -1.326 1.00 0.00 C ATOM 0 H ALA A 36 -9.710 -9.853 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.143 -10.205 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.393 -7.905 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.200 -9.000 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.554 -7.846 -1.928 1.00 0.00 H new ATOM 560 N SER A 37 -9.176 -8.102 1.262 1.00 0.00 N ATOM 561 CA SER A 37 -9.960 -7.384 2.256 1.00 0.00 C ATOM 562 C SER A 37 -9.474 -5.943 2.374 1.00 0.00 C ATOM 563 O SER A 37 -8.271 -5.689 2.446 1.00 0.00 O ATOM 564 CB SER A 37 -9.870 -8.083 3.615 1.00 0.00 C ATOM 565 OG SER A 37 -11.155 -8.272 4.178 1.00 0.00 O ATOM 0 H SER A 37 -8.168 -7.967 1.345 1.00 0.00 H new ATOM 0 HA SER A 37 -11.002 -7.378 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.375 -9.047 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.257 -7.489 4.293 1.00 0.00 H new ATOM 0 HG SER A 37 -11.070 -8.722 5.044 1.00 0.00 H new ATOM 571 N VAL A 38 -10.411 -5.004 2.389 1.00 0.00 N ATOM 572 CA VAL A 38 -10.067 -3.593 2.494 1.00 0.00 C ATOM 573 C VAL A 38 -9.566 -3.259 3.895 1.00 0.00 C ATOM 574 O VAL A 38 -10.313 -3.346 4.870 1.00 0.00 O ATOM 575 CB VAL A 38 -11.271 -2.694 2.151 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.413 -2.921 3.131 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.859 -1.230 2.131 1.00 0.00 C ATOM 0 H VAL A 38 -11.412 -5.193 2.330 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.272 -3.401 1.774 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.623 -2.963 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.251 -2.276 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.729 -3.963 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.077 -2.687 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.723 -0.612 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.475 -0.947 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.083 -1.081 1.381 1.00 0.00 H new ATOM 587 N VAL A 39 -8.294 -2.886 3.987 1.00 0.00 N ATOM 588 CA VAL A 39 -7.685 -2.548 5.269 1.00 0.00 C ATOM 589 C VAL A 39 -7.763 -1.048 5.533 1.00 0.00 C ATOM 590 O VAL A 39 -7.480 -0.237 4.652 1.00 0.00 O ATOM 591 CB VAL A 39 -6.209 -2.995 5.330 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.786 -3.264 6.763 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.975 -4.226 4.464 1.00 0.00 C ATOM 0 H VAL A 39 -7.664 -2.810 3.188 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.247 -3.081 6.036 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.597 -2.183 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.742 -3.578 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.902 -2.355 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.409 -4.053 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.927 -4.520 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.603 -5.044 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.228 -3.996 3.429 1.00 0.00 H new ATOM 603 N LYS A 40 -8.156 -0.687 6.751 1.00 0.00 N ATOM 604 CA LYS A 40 -8.278 0.715 7.130 1.00 0.00 C ATOM 605 C LYS A 40 -6.920 1.311 7.490 1.00 0.00 C ATOM 606 O LYS A 40 -6.651 2.479 7.209 1.00 0.00 O ATOM 607 CB LYS A 40 -9.240 0.862 8.310 1.00 0.00 C ATOM 608 CG LYS A 40 -8.865 0.007 9.510 1.00 0.00 C ATOM 609 CD LYS A 40 -9.707 0.358 10.727 1.00 0.00 C ATOM 610 CE LYS A 40 -9.144 -0.266 11.993 1.00 0.00 C ATOM 611 NZ LYS A 40 -9.846 -1.530 12.351 1.00 0.00 N ATOM 0 H LYS A 40 -8.395 -1.346 7.491 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.673 1.260 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.271 1.908 8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.245 0.595 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.000 -1.046 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.810 0.148 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.749 1.441 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.730 0.014 10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.081 -0.467 11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.231 0.443 12.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.432 -1.923 13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.856 -1.334 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.742 -2.216 11.577 1.00 0.00 H new ATOM 625 N GLU A 41 -6.070 0.505 8.116 1.00 0.00 N ATOM 626 CA GLU A 41 -4.743 0.960 8.515 1.00 0.00 C ATOM 627 C GLU A 41 -3.670 -0.042 8.100 1.00 0.00 C ATOM 628 O GLU A 41 -3.970 -1.188 7.769 1.00 0.00 O ATOM 629 CB GLU A 41 -4.691 1.182 10.027 1.00 0.00 C ATOM 630 CG GLU A 41 -5.806 2.074 10.549 1.00 0.00 C ATOM 631 CD GLU A 41 -5.426 2.791 11.831 1.00 0.00 C ATOM 632 OE1 GLU A 41 -5.604 2.199 12.917 1.00 0.00 O ATOM 633 OE2 GLU A 41 -4.952 3.943 11.748 1.00 0.00 O ATOM 0 H GLU A 41 -6.275 -0.464 8.358 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.545 1.904 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.744 0.216 10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.730 1.625 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.064 2.810 9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.697 1.471 10.724 1.00 0.00 H new ATOM 640 N LEU A 42 -2.417 0.401 8.125 1.00 0.00 N ATOM 641 CA LEU A 42 -1.297 -0.455 7.753 1.00 0.00 C ATOM 642 C LEU A 42 -1.023 -1.490 8.840 1.00 0.00 C ATOM 643 O LEU A 42 -0.679 -2.635 8.548 1.00 0.00 O ATOM 644 CB LEU A 42 -0.043 0.389 7.507 1.00 0.00 C ATOM 645 CG LEU A 42 -0.232 1.565 6.546 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.017 2.434 6.512 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.574 1.063 5.151 1.00 0.00 C ATOM 0 H LEU A 42 -2.152 1.347 8.399 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.559 -0.979 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.310 0.774 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.741 -0.259 7.115 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.062 2.173 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.864 3.265 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.217 2.823 7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.866 1.838 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.705 1.912 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.235 0.432 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.497 0.485 5.189 1.00 0.00 H new ATOM 659 N SER A 43 -1.180 -1.079 10.093 1.00 0.00 N ATOM 660 CA SER A 43 -0.949 -1.970 11.225 1.00 0.00 C ATOM 661 C SER A 43 -2.103 -2.958 11.403 1.00 0.00 C ATOM 662 O SER A 43 -2.034 -3.857 12.241 1.00 0.00 O ATOM 663 CB SER A 43 -0.761 -1.157 12.506 1.00 0.00 C ATOM 664 OG SER A 43 0.393 -0.337 12.424 1.00 0.00 O ATOM 0 H SER A 43 -1.466 -0.135 10.351 1.00 0.00 H new ATOM 0 HA SER A 43 -0.043 -2.540 11.020 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.640 -0.537 12.679 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.673 -1.830 13.359 1.00 0.00 H new ATOM 0 HG SER A 43 0.491 0.174 13.254 1.00 0.00 H new ATOM 670 N SER A 44 -3.163 -2.787 10.617 1.00 0.00 N ATOM 671 CA SER A 44 -4.324 -3.668 10.699 1.00 0.00 C ATOM 672 C SER A 44 -4.115 -4.949 9.891 1.00 0.00 C ATOM 673 O SER A 44 -5.008 -5.794 9.815 1.00 0.00 O ATOM 674 CB SER A 44 -5.575 -2.938 10.202 1.00 0.00 C ATOM 675 OG SER A 44 -6.288 -2.355 11.279 1.00 0.00 O ATOM 0 H SER A 44 -3.242 -2.048 9.918 1.00 0.00 H new ATOM 0 HA SER A 44 -4.456 -3.947 11.744 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.289 -2.164 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.221 -3.637 9.671 1.00 0.00 H new ATOM 0 HG SER A 44 -7.243 -2.325 11.061 1.00 0.00 H new ATOM 681 N PHE A 45 -2.937 -5.094 9.289 1.00 0.00 N ATOM 682 CA PHE A 45 -2.630 -6.277 8.492 1.00 0.00 C ATOM 683 C PHE A 45 -2.523 -7.517 9.375 1.00 0.00 C ATOM 684 O PHE A 45 -2.274 -7.417 10.576 1.00 0.00 O ATOM 685 CB PHE A 45 -1.327 -6.074 7.717 1.00 0.00 C ATOM 686 CG PHE A 45 -1.468 -5.151 6.540 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.551 -5.263 5.681 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.519 -4.172 6.293 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.684 -4.414 4.598 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.647 -3.322 5.211 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.731 -3.442 4.363 1.00 0.00 C ATOM 0 H PHE A 45 -2.182 -4.409 9.338 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.445 -6.427 7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.570 -5.676 8.392 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.966 -7.042 7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.299 -6.022 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.330 -4.072 6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.532 -4.511 3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.100 -2.564 5.028 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.833 -2.777 3.518 1.00 0.00 H new ATOM 701 N THR A 46 -2.717 -8.685 8.769 1.00 0.00 N ATOM 702 CA THR A 46 -2.644 -9.946 9.499 1.00 0.00 C ATOM 703 C THR A 46 -3.708 -10.005 10.591 1.00 0.00 C ATOM 704 O THR A 46 -3.509 -9.494 11.694 1.00 0.00 O ATOM 705 CB THR A 46 -1.255 -10.125 10.113 1.00 0.00 C ATOM 706 OG1 THR A 46 -0.278 -9.437 9.353 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.826 -11.573 10.212 1.00 0.00 C ATOM 0 H THR A 46 -2.926 -8.784 7.775 1.00 0.00 H new ATOM 0 HA THR A 46 -2.828 -10.756 8.794 1.00 0.00 H new ATOM 0 HB THR A 46 -1.330 -9.716 11.121 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.603 -9.562 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.168 -11.628 10.656 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.533 -12.120 10.836 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.803 -12.015 9.216 1.00 0.00 H new ATOM 715 N LEU A 47 -4.836 -10.631 10.278 1.00 0.00 N ATOM 716 CA LEU A 47 -5.931 -10.755 11.232 1.00 0.00 C ATOM 717 C LEU A 47 -5.947 -12.144 11.863 1.00 0.00 C ATOM 718 O LEU A 47 -6.328 -12.307 13.023 1.00 0.00 O ATOM 719 CB LEU A 47 -7.270 -10.475 10.544 1.00 0.00 C ATOM 720 CG LEU A 47 -8.110 -9.372 11.190 1.00 0.00 C ATOM 721 CD1 LEU A 47 -8.355 -9.677 12.659 1.00 0.00 C ATOM 722 CD2 LEU A 47 -7.429 -8.022 11.029 1.00 0.00 C ATOM 0 H LEU A 47 -5.016 -11.061 9.371 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.778 -10.020 12.022 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.078 -10.204 9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.854 -11.395 10.531 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.075 -9.333 10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.954 -8.881 13.101 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.886 -10.624 12.750 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.400 -9.745 13.181 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.040 -7.248 11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.450 -8.049 11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.308 -7.800 9.969 1.00 0.00 H new ATOM 734 N GLY A 48 -5.532 -13.143 11.092 1.00 0.00 N ATOM 735 CA GLY A 48 -5.507 -14.506 11.589 1.00 0.00 C ATOM 736 C GLY A 48 -4.229 -15.234 11.225 1.00 0.00 C ATOM 737 O GLY A 48 -3.207 -15.080 11.893 1.00 0.00 O ATOM 0 H GLY A 48 -5.212 -13.033 10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.619 -14.496 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.360 -15.052 11.185 1.00 0.00 H new ATOM 741 N THR A 49 -4.286 -16.031 10.162 1.00 0.00 N ATOM 742 CA THR A 49 -3.124 -16.787 9.710 1.00 0.00 C ATOM 743 C THR A 49 -3.036 -16.795 8.187 1.00 0.00 C ATOM 744 O THR A 49 -1.968 -16.575 7.618 1.00 0.00 O ATOM 745 CB THR A 49 -3.187 -18.221 10.236 1.00 0.00 C ATOM 746 OG1 THR A 49 -3.751 -18.256 11.534 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.833 -18.893 10.305 1.00 0.00 C ATOM 0 H THR A 49 -5.125 -16.170 9.598 1.00 0.00 H new ATOM 0 HA THR A 49 -2.231 -16.301 10.104 1.00 0.00 H new ATOM 0 HB THR A 49 -3.808 -18.763 9.522 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.784 -19.183 11.852 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.949 -19.907 10.686 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.393 -18.928 9.308 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.180 -18.328 10.970 1.00 0.00 H new ATOM 755 N GLY A 50 -4.166 -17.052 7.534 1.00 0.00 N ATOM 756 CA GLY A 50 -4.192 -17.085 6.085 1.00 0.00 C ATOM 757 C GLY A 50 -4.590 -15.753 5.481 1.00 0.00 C ATOM 758 O GLY A 50 -5.678 -15.615 4.921 1.00 0.00 O ATOM 0 H GLY A 50 -5.063 -17.238 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.207 -17.369 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.891 -17.853 5.755 1.00 0.00 H new ATOM 762 N VAL A 51 -3.703 -14.774 5.596 1.00 0.00 N ATOM 763 CA VAL A 51 -3.957 -13.441 5.060 1.00 0.00 C ATOM 764 C VAL A 51 -2.667 -12.799 4.562 1.00 0.00 C ATOM 765 O VAL A 51 -1.697 -12.671 5.308 1.00 0.00 O ATOM 766 CB VAL A 51 -4.596 -12.521 6.117 1.00 0.00 C ATOM 767 CG1 VAL A 51 -5.041 -11.211 5.486 1.00 0.00 C ATOM 768 CG2 VAL A 51 -5.765 -13.218 6.797 1.00 0.00 C ATOM 0 H VAL A 51 -2.799 -14.877 6.057 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.650 -13.561 4.227 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.847 -12.296 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.490 -10.574 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.179 -10.705 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.774 -11.414 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.203 -12.552 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.518 -13.476 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.413 -14.126 7.286 1.00 0.00 H new ATOM 778 N HIS A 52 -2.661 -12.396 3.295 1.00 0.00 N ATOM 779 CA HIS A 52 -1.488 -11.766 2.699 1.00 0.00 C ATOM 780 C HIS A 52 -1.578 -10.243 2.798 1.00 0.00 C ATOM 781 O HIS A 52 -2.535 -9.640 2.310 1.00 0.00 O ATOM 782 CB HIS A 52 -1.347 -12.187 1.234 1.00 0.00 C ATOM 783 CG HIS A 52 -0.238 -13.164 0.996 1.00 0.00 C ATOM 784 ND1 HIS A 52 -0.019 -14.264 1.798 1.00 0.00 N ATOM 785 CD2 HIS A 52 0.717 -13.204 0.036 1.00 0.00 C ATOM 786 CE1 HIS A 52 1.024 -14.936 1.344 1.00 0.00 C ATOM 787 NE2 HIS A 52 1.488 -14.315 0.276 1.00 0.00 N ATOM 0 H HIS A 52 -3.455 -12.494 2.662 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.608 -12.096 3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.286 -12.627 0.899 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.176 -11.300 0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.848 -12.495 -0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.428 -15.840 1.774 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.289 -14.612 -0.281 1.00 0.00 H new ATOM 796 N PRO A 53 -0.582 -9.597 3.433 1.00 0.00 N ATOM 797 CA PRO A 53 -0.562 -8.143 3.592 1.00 0.00 C ATOM 798 C PRO A 53 -0.061 -7.424 2.342 1.00 0.00 C ATOM 799 O PRO A 53 1.017 -7.726 1.829 1.00 0.00 O ATOM 800 CB PRO A 53 0.414 -7.945 4.749 1.00 0.00 C ATOM 801 CG PRO A 53 1.378 -9.075 4.620 1.00 0.00 C ATOM 802 CD PRO A 53 0.600 -10.234 4.049 1.00 0.00 C ATOM 0 HA PRO A 53 -1.556 -7.733 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.920 -6.982 4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.099 -7.969 5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.208 -8.805 3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.805 -9.334 5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.186 -10.785 3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.313 -10.944 4.825 1.00 0.00 H new ATOM 810 N ILE A 54 -0.851 -6.470 1.858 1.00 0.00 N ATOM 811 CA ILE A 54 -0.493 -5.703 0.669 1.00 0.00 C ATOM 812 C ILE A 54 -0.930 -4.247 0.807 1.00 0.00 C ATOM 813 O ILE A 54 -1.793 -3.923 1.622 1.00 0.00 O ATOM 814 CB ILE A 54 -1.134 -6.300 -0.601 1.00 0.00 C ATOM 815 CG1 ILE A 54 -0.920 -7.817 -0.649 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.566 -5.636 -1.846 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.511 -8.227 -0.925 1.00 0.00 C ATOM 0 H ILE A 54 -1.746 -6.209 2.272 1.00 0.00 H new ATOM 0 HA ILE A 54 0.592 -5.750 0.575 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.207 -6.108 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.234 -8.248 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.564 -8.241 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.029 -6.069 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.773 -4.566 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.511 -5.796 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.581 -9.315 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.825 -7.827 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.159 -7.835 -0.141 1.00 0.00 H new ATOM 829 N VAL A 55 -0.329 -3.373 0.005 1.00 0.00 N ATOM 830 CA VAL A 55 -0.656 -1.949 0.035 1.00 0.00 C ATOM 831 C VAL A 55 -0.638 -1.357 -1.370 1.00 0.00 C ATOM 832 O VAL A 55 0.091 -1.830 -2.241 1.00 0.00 O ATOM 833 CB VAL A 55 0.324 -1.152 0.919 1.00 0.00 C ATOM 834 CG1 VAL A 55 -0.220 0.241 1.200 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.604 -1.893 2.217 1.00 0.00 C ATOM 0 H VAL A 55 0.388 -3.625 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.657 -1.869 0.459 1.00 0.00 H new ATOM 0 HB VAL A 55 1.265 -1.049 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.486 0.788 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.360 0.774 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.176 0.161 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.298 -1.312 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.328 -2.033 2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.043 -2.865 1.993 1.00 0.00 H new ATOM 845 N VAL A 56 -1.442 -0.321 -1.585 1.00 0.00 N ATOM 846 CA VAL A 56 -1.508 0.329 -2.890 1.00 0.00 C ATOM 847 C VAL A 56 -1.055 1.783 -2.803 1.00 0.00 C ATOM 848 O VAL A 56 -1.084 2.391 -1.732 1.00 0.00 O ATOM 849 CB VAL A 56 -2.933 0.291 -3.474 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.908 0.551 -4.973 1.00 0.00 C ATOM 851 CG2 VAL A 56 -3.611 -1.037 -3.168 1.00 0.00 C ATOM 0 H VAL A 56 -2.054 0.085 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.839 -0.226 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.513 1.083 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.925 0.520 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.475 1.533 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.306 -0.213 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.616 -1.039 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.032 -1.850 -3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.672 -1.174 -2.088 1.00 0.00 H new ATOM 861 N VAL A 57 -0.641 2.336 -3.938 1.00 0.00 N ATOM 862 CA VAL A 57 -0.185 3.720 -3.998 1.00 0.00 C ATOM 863 C VAL A 57 -0.534 4.348 -5.343 1.00 0.00 C ATOM 864 O VAL A 57 -1.156 3.711 -6.191 1.00 0.00 O ATOM 865 CB VAL A 57 1.336 3.818 -3.776 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.675 3.618 -2.307 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.070 2.806 -4.643 1.00 0.00 C ATOM 0 H VAL A 57 -0.612 1.845 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.695 4.261 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 57 1.663 4.816 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.754 3.691 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.181 4.386 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.334 2.634 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.143 2.891 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.740 1.799 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.853 3.002 -5.693 1.00 0.00 H new ATOM 877 N GLN A 58 -0.134 5.603 -5.534 1.00 0.00 N ATOM 878 CA GLN A 58 -0.407 6.311 -6.782 1.00 0.00 C ATOM 879 C GLN A 58 0.017 7.775 -6.687 1.00 0.00 C ATOM 880 O GLN A 58 -0.757 8.626 -6.247 1.00 0.00 O ATOM 881 CB GLN A 58 -1.895 6.219 -7.136 1.00 0.00 C ATOM 882 CG GLN A 58 -2.156 5.562 -8.482 1.00 0.00 C ATOM 883 CD GLN A 58 -2.508 6.566 -9.562 1.00 0.00 C ATOM 884 OE1 GLN A 58 -1.644 7.289 -10.058 1.00 0.00 O ATOM 885 NE2 GLN A 58 -3.782 6.616 -9.932 1.00 0.00 N ATOM 0 H GLN A 58 0.379 6.149 -4.842 1.00 0.00 H new ATOM 0 HA GLN A 58 0.176 5.835 -7.571 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.412 5.656 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.322 7.222 -7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.272 5.002 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.969 4.844 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.465 5.998 -9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.078 7.273 -10.654 1.00 0.00 H new ATOM 894 N PRO A 59 1.257 8.091 -7.101 1.00 0.00 N ATOM 895 CA PRO A 59 1.777 9.460 -7.061 1.00 0.00 C ATOM 896 C PRO A 59 1.211 10.328 -8.180 1.00 0.00 C ATOM 897 O PRO A 59 1.954 10.860 -9.005 1.00 0.00 O ATOM 898 CB PRO A 59 3.282 9.263 -7.242 1.00 0.00 C ATOM 899 CG PRO A 59 3.401 8.018 -8.050 1.00 0.00 C ATOM 900 CD PRO A 59 2.248 7.139 -7.642 1.00 0.00 C ATOM 0 HA PRO A 59 1.506 9.977 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.735 10.113 -7.753 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.787 9.163 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.362 8.241 -9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.353 7.522 -7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.848 6.584 -8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.549 6.406 -6.894 1.00 0.00 H new ATOM 908 N ASP A 60 -0.112 10.471 -8.203 1.00 0.00 N ATOM 909 CA ASP A 60 -0.775 11.276 -9.223 1.00 0.00 C ATOM 910 C ASP A 60 -1.419 12.512 -8.602 1.00 0.00 C ATOM 911 O ASP A 60 -1.345 13.609 -9.157 1.00 0.00 O ATOM 912 CB ASP A 60 -1.831 10.443 -9.955 1.00 0.00 C ATOM 913 CG ASP A 60 -1.532 10.306 -11.436 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.718 9.430 -11.798 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.111 11.074 -12.232 1.00 0.00 O ATOM 0 H ASP A 60 -0.744 10.040 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.023 11.603 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.885 9.452 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.809 10.906 -9.826 1.00 0.00 H new ATOM 920 N ALA A 61 -2.048 12.324 -7.449 1.00 0.00 N ATOM 921 CA ALA A 61 -2.704 13.420 -6.746 1.00 0.00 C ATOM 922 C ALA A 61 -2.095 13.623 -5.362 1.00 0.00 C ATOM 923 O ALA A 61 -2.775 14.055 -4.431 1.00 0.00 O ATOM 924 CB ALA A 61 -4.197 13.154 -6.634 1.00 0.00 C ATOM 0 H ALA A 61 -2.118 11.421 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.551 14.334 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.675 13.980 -6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.626 13.063 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.361 12.228 -6.083 1.00 0.00 H new ATOM 930 N TRP A 62 -0.810 13.309 -5.236 1.00 0.00 N ATOM 931 CA TRP A 62 -0.108 13.456 -3.967 1.00 0.00 C ATOM 932 C TRP A 62 0.671 14.766 -3.925 1.00 0.00 C ATOM 933 O TRP A 62 0.577 15.524 -2.959 1.00 0.00 O ATOM 934 CB TRP A 62 0.840 12.273 -3.747 1.00 0.00 C ATOM 935 CG TRP A 62 0.438 11.398 -2.600 1.00 0.00 C ATOM 936 CD1 TRP A 62 -0.543 10.448 -2.597 1.00 0.00 C ATOM 937 CD2 TRP A 62 1.008 11.390 -1.285 1.00 0.00 C ATOM 938 NE1 TRP A 62 -0.618 9.851 -1.362 1.00 0.00 N ATOM 939 CE2 TRP A 62 0.324 10.412 -0.539 1.00 0.00 C ATOM 940 CE3 TRP A 62 2.031 12.115 -0.668 1.00 0.00 C ATOM 941 CZ2 TRP A 62 0.631 10.140 0.791 1.00 0.00 C ATOM 942 CZ3 TRP A 62 2.334 11.846 0.654 1.00 0.00 C ATOM 943 CH2 TRP A 62 1.636 10.865 1.370 1.00 0.00 C ATOM 0 H TRP A 62 -0.234 12.951 -5.998 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.849 13.472 -3.168 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.879 11.673 -4.656 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.847 12.651 -3.571 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.169 10.202 -3.442 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.269 9.111 -1.100 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.575 12.872 -1.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.095 9.384 1.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.121 12.401 1.142 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.897 10.677 2.401 1.00 0.00 H new ATOM 954 N THR A 63 1.439 15.026 -4.978 1.00 0.00 N ATOM 955 CA THR A 63 2.235 16.246 -5.062 1.00 0.00 C ATOM 956 C THR A 63 3.253 16.312 -3.928 1.00 0.00 C ATOM 957 O THR A 63 3.060 15.710 -2.871 1.00 0.00 O ATOM 958 CB THR A 63 1.327 17.477 -5.017 1.00 0.00 C ATOM 959 OG1 THR A 63 0.104 17.223 -5.686 1.00 0.00 O ATOM 960 CG2 THR A 63 1.950 18.702 -5.650 1.00 0.00 C ATOM 0 H THR A 63 1.527 14.409 -5.785 1.00 0.00 H new ATOM 0 HA THR A 63 2.773 16.233 -6.010 1.00 0.00 H new ATOM 0 HB THR A 63 1.164 17.677 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.463 18.021 -5.645 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.255 19.539 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.871 18.954 -5.125 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.173 18.497 -6.697 1.00 0.00 H new ATOM 968 N GLU A 64 4.338 17.045 -4.156 1.00 0.00 N ATOM 969 CA GLU A 64 5.388 17.190 -3.154 1.00 0.00 C ATOM 970 C GLU A 64 4.998 18.226 -2.104 1.00 0.00 C ATOM 971 O GLU A 64 5.345 19.402 -2.220 1.00 0.00 O ATOM 972 CB GLU A 64 6.706 17.589 -3.822 1.00 0.00 C ATOM 973 CG GLU A 64 7.769 16.504 -3.768 1.00 0.00 C ATOM 974 CD GLU A 64 9.160 17.035 -4.047 1.00 0.00 C ATOM 975 OE1 GLU A 64 9.545 18.048 -3.426 1.00 0.00 O ATOM 976 OE2 GLU A 64 9.866 16.440 -4.889 1.00 0.00 O ATOM 0 H GLU A 64 4.513 17.548 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 64 5.519 16.229 -2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.513 17.845 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.091 18.487 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.754 16.035 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.528 15.728 -4.495 1.00 0.00 H new ATOM 983 N ASP A 65 4.275 17.783 -1.082 1.00 0.00 N ATOM 984 CA ASP A 65 3.838 18.672 -0.012 1.00 0.00 C ATOM 985 C ASP A 65 4.119 18.060 1.357 1.00 0.00 C ATOM 986 O ASP A 65 4.876 18.615 2.153 1.00 0.00 O ATOM 987 CB ASP A 65 2.346 18.975 -0.151 1.00 0.00 C ATOM 988 CG ASP A 65 2.012 19.654 -1.464 1.00 0.00 C ATOM 989 OD1 ASP A 65 2.887 20.364 -2.003 1.00 0.00 O ATOM 990 OD2 ASP A 65 0.877 19.476 -1.954 1.00 0.00 O ATOM 0 H ASP A 65 3.979 16.813 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 65 4.401 19.602 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.781 18.046 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.029 19.612 0.675 1.00 0.00 H new ATOM 995 N ASN A 66 3.503 16.912 1.622 1.00 0.00 N ATOM 996 CA ASN A 66 3.686 16.224 2.896 1.00 0.00 C ATOM 997 C ASN A 66 4.950 15.370 2.876 1.00 0.00 C ATOM 998 O ASN A 66 5.744 15.397 3.817 1.00 0.00 O ATOM 999 CB ASN A 66 2.469 15.351 3.206 1.00 0.00 C ATOM 1000 CG ASN A 66 2.071 15.412 4.668 1.00 0.00 C ATOM 1001 OD1 ASN A 66 0.893 15.549 4.998 1.00 0.00 O ATOM 1002 ND2 ASN A 66 3.055 15.310 5.554 1.00 0.00 N ATOM 0 H ASN A 66 2.874 16.439 0.973 1.00 0.00 H new ATOM 0 HA ASN A 66 3.792 16.977 3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.629 15.672 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.688 14.318 2.935 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.848 15.344 6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.018 15.198 5.236 1.00 0.00 H new ATOM 1009 N GLY A 67 5.130 14.611 1.799 1.00 0.00 N ATOM 1010 CA GLY A 67 6.298 13.759 1.678 1.00 0.00 C ATOM 1011 C GLY A 67 5.933 12.314 1.402 1.00 0.00 C ATOM 1012 O GLY A 67 5.489 11.597 2.297 1.00 0.00 O ATOM 0 H GLY A 67 4.487 14.571 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.933 14.130 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.882 13.814 2.597 1.00 0.00 H new ATOM 1016 N PHE A 68 6.120 11.887 0.157 1.00 0.00 N ATOM 1017 CA PHE A 68 5.804 10.518 -0.236 1.00 0.00 C ATOM 1018 C PHE A 68 7.064 9.655 -0.315 1.00 0.00 C ATOM 1019 O PHE A 68 7.009 8.507 -0.757 1.00 0.00 O ATOM 1020 CB PHE A 68 5.082 10.508 -1.584 1.00 0.00 C ATOM 1021 CG PHE A 68 4.441 9.189 -1.906 1.00 0.00 C ATOM 1022 CD1 PHE A 68 3.188 8.876 -1.406 1.00 0.00 C ATOM 1023 CD2 PHE A 68 5.092 8.263 -2.704 1.00 0.00 C ATOM 1024 CE1 PHE A 68 2.596 7.662 -1.697 1.00 0.00 C ATOM 1025 CE2 PHE A 68 4.506 7.047 -2.997 1.00 0.00 C ATOM 1026 CZ PHE A 68 3.256 6.746 -2.493 1.00 0.00 C ATOM 0 H PHE A 68 6.488 12.468 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 68 5.150 10.095 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.318 11.285 -1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.793 10.760 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.668 9.588 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.069 8.494 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.618 7.429 -1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.025 6.333 -3.619 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.795 5.796 -2.721 1.00 0.00 H new ATOM 1036 N HIS A 69 8.197 10.208 0.112 1.00 0.00 N ATOM 1037 CA HIS A 69 9.459 9.479 0.083 1.00 0.00 C ATOM 1038 C HIS A 69 9.693 8.743 1.400 1.00 0.00 C ATOM 1039 O HIS A 69 10.766 8.840 1.996 1.00 0.00 O ATOM 1040 CB HIS A 69 10.616 10.440 -0.206 1.00 0.00 C ATOM 1041 CG HIS A 69 11.414 10.067 -1.417 1.00 0.00 C ATOM 1042 ND1 HIS A 69 12.434 9.140 -1.390 1.00 0.00 N ATOM 1043 CD2 HIS A 69 11.334 10.498 -2.699 1.00 0.00 C ATOM 1044 CE1 HIS A 69 12.948 9.018 -2.601 1.00 0.00 C ATOM 1045 NE2 HIS A 69 12.298 9.831 -3.413 1.00 0.00 N ATOM 0 H HIS A 69 8.265 11.156 0.481 1.00 0.00 H new ATOM 0 HA HIS A 69 9.410 8.737 -0.714 1.00 0.00 H new ATOM 0 HB2 HIS A 69 10.218 11.446 -0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 69 11.277 10.471 0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 69 10.641 11.230 -3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.761 8.364 -2.879 1.00 0.00 H new ATOM 0 HE2 HIS A 69 12.482 9.945 -4.410 1.00 0.00 H new ATOM 1054 N ALA A 70 8.683 8.002 1.847 1.00 0.00 N ATOM 1055 CA ALA A 70 8.780 7.248 3.091 1.00 0.00 C ATOM 1056 C ALA A 70 7.605 6.290 3.248 1.00 0.00 C ATOM 1057 O ALA A 70 7.113 6.072 4.356 1.00 0.00 O ATOM 1058 CB ALA A 70 8.852 8.197 4.279 1.00 0.00 C ATOM 0 H ALA A 70 7.789 7.908 1.366 1.00 0.00 H new ATOM 0 HA ALA A 70 9.694 6.656 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.924 7.621 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.729 8.836 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.954 8.814 4.306 1.00 0.00 H new ATOM 1064 N ILE A 71 7.159 5.717 2.134 1.00 0.00 N ATOM 1065 CA ILE A 71 6.044 4.781 2.152 1.00 0.00 C ATOM 1066 C ILE A 71 6.458 3.444 2.757 1.00 0.00 C ATOM 1067 O ILE A 71 5.923 3.023 3.783 1.00 0.00 O ATOM 1068 CB ILE A 71 5.489 4.543 0.735 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.224 5.878 0.040 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.216 3.711 0.798 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.161 6.713 0.723 1.00 0.00 C ATOM 0 H ILE A 71 7.554 5.886 1.209 1.00 0.00 H new ATOM 0 HA ILE A 71 5.264 5.228 2.769 1.00 0.00 H new ATOM 0 HB ILE A 71 6.231 3.993 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.152 6.448 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.921 5.689 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.836 3.551 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.433 2.748 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.466 4.237 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.025 7.646 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.221 6.162 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.472 6.933 1.744 1.00 0.00 H new ATOM 1083 N GLY A 72 7.417 2.781 2.117 1.00 0.00 N ATOM 1084 CA GLY A 72 7.888 1.500 2.609 1.00 0.00 C ATOM 1085 C GLY A 72 8.441 1.589 4.018 1.00 0.00 C ATOM 1086 O GLY A 72 8.420 0.611 4.764 1.00 0.00 O ATOM 0 H GLY A 72 7.876 3.109 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.068 0.782 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.661 1.120 1.942 1.00 0.00 H new ATOM 1090 N GLN A 73 8.939 2.767 4.381 1.00 0.00 N ATOM 1091 CA GLN A 73 9.501 2.984 5.709 1.00 0.00 C ATOM 1092 C GLN A 73 8.397 3.181 6.745 1.00 0.00 C ATOM 1093 O GLN A 73 8.604 2.958 7.937 1.00 0.00 O ATOM 1094 CB GLN A 73 10.429 4.200 5.700 1.00 0.00 C ATOM 1095 CG GLN A 73 11.792 3.920 5.089 1.00 0.00 C ATOM 1096 CD GLN A 73 12.609 2.943 5.911 1.00 0.00 C ATOM 1097 OE1 GLN A 73 12.116 2.359 6.876 1.00 0.00 O ATOM 1098 NE2 GLN A 73 13.869 2.760 5.532 1.00 0.00 N ATOM 0 H GLN A 73 8.965 3.586 3.774 1.00 0.00 H new ATOM 0 HA GLN A 73 10.075 2.098 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.951 5.008 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.564 4.551 6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.660 3.522 4.083 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.342 4.856 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.237 3.265 4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.468 2.115 6.047 1.00 0.00 H new ATOM 1107 N MET A 74 7.222 3.601 6.282 1.00 0.00 N ATOM 1108 CA MET A 74 6.087 3.829 7.169 1.00 0.00 C ATOM 1109 C MET A 74 5.197 2.591 7.243 1.00 0.00 C ATOM 1110 O MET A 74 4.542 2.346 8.256 1.00 0.00 O ATOM 1111 CB MET A 74 5.271 5.030 6.690 1.00 0.00 C ATOM 1112 CG MET A 74 4.504 5.727 7.802 1.00 0.00 C ATOM 1113 SD MET A 74 2.897 4.972 8.116 1.00 0.00 S ATOM 1114 CE MET A 74 1.819 6.096 7.231 1.00 0.00 C ATOM 0 H MET A 74 7.032 3.790 5.298 1.00 0.00 H new ATOM 0 HA MET A 74 6.474 4.037 8.167 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.941 5.748 6.216 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.567 4.699 5.926 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.097 5.704 8.716 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.363 6.775 7.539 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.786 5.763 7.330 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.919 7.099 7.647 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.096 6.111 6.177 1.00 0.00 H new ATOM 1124 N CYS A 75 5.178 1.816 6.165 1.00 0.00 N ATOM 1125 CA CYS A 75 4.368 0.603 6.109 1.00 0.00 C ATOM 1126 C CYS A 75 5.251 -0.635 6.003 1.00 0.00 C ATOM 1127 O CYS A 75 6.359 -0.577 5.468 1.00 0.00 O ATOM 1128 CB CYS A 75 3.406 0.663 4.920 1.00 0.00 C ATOM 1129 SG CYS A 75 4.224 0.698 3.309 1.00 0.00 S ATOM 0 H CYS A 75 5.714 2.005 5.318 1.00 0.00 H new ATOM 0 HA CYS A 75 3.791 0.537 7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.742 -0.201 4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.780 1.550 5.017 1.00 0.00 H new ATOM 0 HG CYS A 75 5.208 1.547 3.340 1.00 0.00 H new ATOM 1135 N GLU A 76 4.755 -1.757 6.514 1.00 0.00 N ATOM 1136 CA GLU A 76 5.499 -3.010 6.475 1.00 0.00 C ATOM 1137 C GLU A 76 5.114 -3.834 5.250 1.00 0.00 C ATOM 1138 O GLU A 76 5.901 -4.646 4.764 1.00 0.00 O ATOM 1139 CB GLU A 76 5.244 -3.819 7.749 1.00 0.00 C ATOM 1140 CG GLU A 76 5.553 -3.056 9.027 1.00 0.00 C ATOM 1141 CD GLU A 76 4.485 -3.236 10.087 1.00 0.00 C ATOM 1142 OE1 GLU A 76 3.310 -2.914 9.806 1.00 0.00 O ATOM 1143 OE2 GLU A 76 4.820 -3.700 11.197 1.00 0.00 O ATOM 0 H GLU A 76 3.840 -1.824 6.960 1.00 0.00 H new ATOM 0 HA GLU A 76 6.561 -2.771 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.200 -4.133 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.849 -4.725 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.512 -3.391 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.656 -1.996 8.797 1.00 0.00 H new ATOM 1150 N ALA A 77 3.898 -3.619 4.756 1.00 0.00 N ATOM 1151 CA ALA A 77 3.410 -4.342 3.588 1.00 0.00 C ATOM 1152 C ALA A 77 3.875 -3.673 2.295 1.00 0.00 C ATOM 1153 O ALA A 77 4.232 -2.495 2.291 1.00 0.00 O ATOM 1154 CB ALA A 77 1.892 -4.430 3.624 1.00 0.00 C ATOM 0 H ALA A 77 3.234 -2.951 5.147 1.00 0.00 H new ATOM 0 HA ALA A 77 3.823 -5.350 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.538 -4.972 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.579 -4.956 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.469 -3.425 3.625 1.00 0.00 H new ATOM 1160 N PRO A 78 3.877 -4.421 1.178 1.00 0.00 N ATOM 1161 CA PRO A 78 4.303 -3.893 -0.125 1.00 0.00 C ATOM 1162 C PRO A 78 3.341 -2.843 -0.670 1.00 0.00 C ATOM 1163 O PRO A 78 2.137 -2.905 -0.427 1.00 0.00 O ATOM 1164 CB PRO A 78 4.307 -5.131 -1.024 1.00 0.00 C ATOM 1165 CG PRO A 78 3.339 -6.064 -0.385 1.00 0.00 C ATOM 1166 CD PRO A 78 3.468 -5.835 1.093 1.00 0.00 C ATOM 0 HA PRO A 78 5.267 -3.389 -0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.005 -4.883 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.302 -5.573 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.322 -5.866 -0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.565 -7.099 -0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.527 -6.014 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.210 -6.497 1.540 1.00 0.00 H new ATOM 1174 N VAL A 79 3.881 -1.880 -1.408 1.00 0.00 N ATOM 1175 CA VAL A 79 3.072 -0.812 -1.992 1.00 0.00 C ATOM 1176 C VAL A 79 3.152 -0.841 -3.515 1.00 0.00 C ATOM 1177 O VAL A 79 4.242 -0.866 -4.082 1.00 0.00 O ATOM 1178 CB VAL A 79 3.514 0.584 -1.493 1.00 0.00 C ATOM 1179 CG1 VAL A 79 2.455 1.186 -0.584 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.856 0.513 -0.776 1.00 0.00 C ATOM 0 H VAL A 79 4.877 -1.815 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 79 2.044 -0.988 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 79 3.632 1.229 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.784 2.168 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.519 1.287 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.302 0.535 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.140 1.509 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.775 -0.153 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.614 0.132 -1.460 1.00 0.00 H new ATOM 1190 N VAL A 80 1.995 -0.834 -4.174 1.00 0.00 N ATOM 1191 CA VAL A 80 1.956 -0.859 -5.632 1.00 0.00 C ATOM 1192 C VAL A 80 0.866 0.061 -6.172 1.00 0.00 C ATOM 1193 O VAL A 80 -0.100 0.365 -5.478 1.00 0.00 O ATOM 1194 CB VAL A 80 1.703 -2.283 -6.167 1.00 0.00 C ATOM 1195 CG1 VAL A 80 2.850 -3.208 -5.798 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.383 -2.826 -5.640 1.00 0.00 C ATOM 0 H VAL A 80 1.080 -0.811 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 80 2.931 -0.512 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 80 1.643 -2.234 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.651 -4.207 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.776 -2.829 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.947 -3.252 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.222 -3.832 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.412 -2.858 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.432 -2.178 -5.963 1.00 0.00 H new ATOM 1206 N THR A 81 1.020 0.491 -7.419 1.00 0.00 N ATOM 1207 CA THR A 81 0.036 1.363 -8.046 1.00 0.00 C ATOM 1208 C THR A 81 -1.253 0.595 -8.322 1.00 0.00 C ATOM 1209 O THR A 81 -1.247 -0.634 -8.389 1.00 0.00 O ATOM 1210 CB THR A 81 0.587 1.948 -9.349 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.493 1.006 -10.404 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.033 2.383 -9.249 1.00 0.00 C ATOM 0 H THR A 81 1.814 0.251 -8.013 1.00 0.00 H new ATOM 0 HA THR A 81 -0.181 2.183 -7.361 1.00 0.00 H new ATOM 0 HB THR A 81 -0.026 2.827 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.099 1.435 -11.192 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.358 2.788 -10.207 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.130 3.149 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.654 1.526 -8.987 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.358 1.320 -8.479 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.650 0.689 -8.744 1.00 0.00 C ATOM 1222 C ARG A 82 -3.567 -0.279 -9.923 1.00 0.00 C ATOM 1223 O ARG A 82 -4.389 -1.187 -10.046 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.736 1.739 -9.006 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.261 2.948 -9.802 1.00 0.00 C ATOM 1226 CD ARG A 82 -4.977 3.060 -11.139 1.00 0.00 C ATOM 1227 NE ARG A 82 -4.067 2.867 -12.265 1.00 0.00 N ATOM 1228 CZ ARG A 82 -4.327 3.272 -13.507 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -5.470 3.888 -13.784 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -3.443 3.058 -14.472 1.00 0.00 N ATOM 0 H ARG A 82 -2.386 2.338 -8.428 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.919 0.123 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.560 1.267 -9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.132 2.081 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.431 3.855 -9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.187 2.873 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.775 2.319 -11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.448 4.040 -11.217 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.180 2.394 -12.090 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.153 4.053 -13.044 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.665 4.197 -14.736 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.565 2.584 -14.263 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.641 3.368 -15.423 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.569 -0.088 -10.788 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.386 -0.956 -11.950 1.00 0.00 C ATOM 1246 C GLU A 83 -2.483 -2.424 -11.549 1.00 0.00 C ATOM 1247 O GLU A 83 -3.134 -3.220 -12.223 1.00 0.00 O ATOM 1248 CB GLU A 83 -1.035 -0.681 -12.613 1.00 0.00 C ATOM 1249 CG GLU A 83 -1.040 0.534 -13.526 1.00 0.00 C ATOM 1250 CD GLU A 83 -1.696 0.255 -14.864 1.00 0.00 C ATOM 1251 OE1 GLU A 83 -2.935 0.100 -14.897 1.00 0.00 O ATOM 1252 OE2 GLU A 83 -0.970 0.192 -15.879 1.00 0.00 O ATOM 0 H GLU A 83 -1.878 0.658 -10.705 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.180 -0.740 -12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.282 -0.539 -11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.738 -1.557 -13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.564 1.353 -13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.014 0.865 -13.690 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.844 -2.772 -10.435 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.876 -4.140 -9.929 1.00 0.00 C ATOM 1261 C TRP A 84 -3.313 -4.596 -9.748 1.00 0.00 C ATOM 1262 O TRP A 84 -3.748 -5.596 -10.319 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.147 -4.216 -8.588 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.105 -5.594 -8.001 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.277 -6.618 -8.364 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.929 -6.097 -6.944 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.537 -7.728 -7.596 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.547 -7.432 -6.716 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.952 -5.547 -6.167 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.154 -8.225 -5.742 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.553 -6.334 -5.202 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.152 -7.658 -4.997 1.00 0.00 C ATOM 0 H TRP A 84 -1.298 -2.125 -9.866 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.380 -4.791 -10.649 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.127 -3.855 -8.719 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.635 -3.545 -7.881 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.472 -6.564 -9.140 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.057 -8.625 -7.669 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.268 -4.525 -6.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.848 -9.248 -5.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.345 -5.919 -4.596 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.641 -8.246 -4.234 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.040 -3.835 -8.946 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.442 -4.120 -8.664 1.00 0.00 C ATOM 1285 C VAL A 85 -6.246 -4.260 -9.953 1.00 0.00 C ATOM 1286 O VAL A 85 -7.026 -5.199 -10.111 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.064 -3.011 -7.791 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.542 -3.273 -7.543 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.313 -2.888 -6.473 1.00 0.00 C ATOM 0 H VAL A 85 -3.680 -3.006 -8.473 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.478 -5.065 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.977 -2.068 -8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.954 -2.475 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.071 -3.304 -8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.661 -4.228 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.765 -2.101 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.366 -3.834 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.270 -2.640 -6.670 1.00 0.00 H new ATOM 1299 N LEU A 86 -6.049 -3.323 -10.870 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.757 -3.341 -12.146 1.00 0.00 C ATOM 1301 C LEU A 86 -6.332 -4.542 -12.984 1.00 0.00 C ATOM 1302 O LEU A 86 -7.170 -5.284 -13.494 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.496 -2.044 -12.918 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.718 -1.455 -13.626 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -7.643 0.064 -13.645 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.829 -2.003 -15.042 1.00 0.00 C ATOM 0 H LEU A 86 -5.405 -2.540 -10.756 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.824 -3.423 -11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.102 -1.300 -12.226 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.720 -2.231 -13.660 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.611 -1.747 -13.073 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.520 0.465 -14.152 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.612 0.440 -12.622 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.743 0.377 -14.174 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.704 -1.574 -15.531 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.933 -1.741 -15.605 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.930 -3.088 -15.005 1.00 0.00 H new ATOM 1318 N ASP A 87 -5.024 -4.726 -13.120 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.485 -5.838 -13.892 1.00 0.00 C ATOM 1320 C ASP A 87 -4.903 -7.172 -13.284 1.00 0.00 C ATOM 1321 O ASP A 87 -5.104 -8.155 -13.998 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.958 -5.749 -13.956 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.356 -6.789 -14.879 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.735 -7.975 -14.764 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.505 -6.419 -15.716 1.00 0.00 O ATOM 0 H ASP A 87 -4.317 -4.119 -12.705 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.888 -5.777 -14.903 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.669 -4.755 -14.296 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.547 -5.875 -12.954 1.00 0.00 H new ATOM 1330 N SER A 88 -5.030 -7.199 -11.961 1.00 0.00 N ATOM 1331 CA SER A 88 -5.424 -8.413 -11.256 1.00 0.00 C ATOM 1332 C SER A 88 -6.924 -8.662 -11.389 1.00 0.00 C ATOM 1333 O SER A 88 -7.350 -9.778 -11.680 1.00 0.00 O ATOM 1334 CB SER A 88 -5.043 -8.320 -9.778 1.00 0.00 C ATOM 1335 OG SER A 88 -3.642 -8.183 -9.620 1.00 0.00 O ATOM 0 H SER A 88 -4.866 -6.394 -11.356 1.00 0.00 H new ATOM 0 HA SER A 88 -4.893 -9.250 -11.710 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.548 -7.469 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.386 -9.212 -9.254 1.00 0.00 H new ATOM 0 HG SER A 88 -3.390 -7.243 -9.735 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.720 -7.619 -11.170 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.172 -7.733 -11.263 1.00 0.00 C ATOM 1343 C VAL A 89 -9.622 -7.904 -12.712 1.00 0.00 C ATOM 1344 O VAL A 89 -10.630 -8.556 -12.986 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.874 -6.502 -10.655 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.386 -6.677 -10.670 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.376 -6.249 -9.239 1.00 0.00 C ATOM 0 H VAL A 89 -7.385 -6.687 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.456 -8.619 -10.694 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.629 -5.634 -11.267 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.859 -5.796 -10.236 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.728 -6.803 -11.697 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.656 -7.558 -10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.882 -5.377 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.588 -7.119 -8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.301 -6.070 -9.258 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.872 -7.312 -13.635 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.200 -7.399 -15.054 1.00 0.00 C ATOM 1359 C ALA A 90 -9.038 -8.825 -15.568 1.00 0.00 C ATOM 1360 O ALA A 90 -9.993 -9.437 -16.045 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.329 -6.443 -15.854 1.00 0.00 C ATOM 0 H ALA A 90 -8.035 -6.768 -13.427 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.244 -7.113 -15.180 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.583 -6.517 -16.911 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.499 -5.422 -15.511 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.280 -6.703 -15.714 1.00 0.00 H new ATOM 1367 N LEU A 91 -7.820 -9.347 -15.468 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.529 -10.702 -15.923 1.00 0.00 C ATOM 1369 C LEU A 91 -7.915 -11.735 -14.865 1.00 0.00 C ATOM 1370 O LEU A 91 -8.083 -12.915 -15.171 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.041 -10.831 -16.260 1.00 0.00 C ATOM 1372 CG LEU A 91 -5.596 -12.217 -16.730 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -5.929 -12.414 -18.200 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.105 -12.406 -16.490 1.00 0.00 C ATOM 0 H LEU A 91 -7.019 -8.853 -15.076 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.122 -10.894 -16.817 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.797 -10.106 -17.037 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.461 -10.561 -15.378 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.136 -12.967 -16.153 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.605 -13.405 -18.517 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.005 -12.320 -18.345 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.416 -11.658 -18.794 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.805 -13.397 -16.830 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.549 -11.649 -17.043 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.892 -12.308 -15.425 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.050 -11.285 -13.619 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.410 -12.172 -12.516 1.00 0.00 C ATOM 1388 C TYR A 92 -7.246 -13.095 -12.167 1.00 0.00 C ATOM 1389 O TYR A 92 -7.242 -14.274 -12.522 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.654 -12.997 -12.868 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.796 -12.830 -11.886 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.556 -12.637 -10.529 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.116 -12.868 -12.318 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.600 -12.487 -9.634 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.164 -12.719 -11.429 1.00 0.00 C ATOM 1396 CZ TYR A 92 -12.901 -12.528 -10.089 1.00 0.00 C ATOM 1397 OH TYR A 92 -13.942 -12.378 -9.201 1.00 0.00 O ATOM 0 H TYR A 92 -7.915 -10.311 -13.348 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.638 -11.556 -11.646 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.998 -12.713 -13.863 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.379 -14.051 -12.915 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.538 -12.604 -10.169 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.327 -13.017 -13.367 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.397 -12.338 -8.584 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.184 -12.752 -11.782 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.610 -11.970 -8.374 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.258 -12.546 -11.468 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.084 -13.312 -11.068 1.00 0.00 C ATOM 1409 C GLN A 93 -4.139 -12.456 -10.231 1.00 0.00 C ATOM 1410 O GLN A 93 -3.834 -11.318 -10.590 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.353 -13.849 -12.300 1.00 0.00 C ATOM 1412 CG GLN A 93 -3.120 -14.673 -11.963 1.00 0.00 C ATOM 1413 CD GLN A 93 -2.751 -15.648 -13.065 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -3.383 -16.691 -13.223 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -1.720 -15.311 -13.831 1.00 0.00 N ATOM 0 H GLN A 93 -6.247 -11.572 -11.167 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.418 -14.153 -10.461 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.041 -14.461 -12.883 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.059 -13.011 -12.932 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.280 -14.004 -11.779 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.297 -15.224 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.225 -14.435 -13.663 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.423 -15.928 -14.587 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.680 -13.009 -9.113 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.771 -12.293 -8.225 1.00 0.00 C ATOM 1426 C CYS A 94 -1.440 -12.011 -8.915 1.00 0.00 C ATOM 1427 O CYS A 94 -0.474 -12.758 -8.750 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.534 -13.102 -6.948 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.987 -14.800 -7.242 1.00 0.00 S ATOM 0 H CYS A 94 -3.922 -13.949 -8.801 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.232 -11.340 -7.966 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -1.787 -12.591 -6.340 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.457 -13.124 -6.368 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.974 -14.795 -8.057 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.395 -10.929 -9.686 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.179 -10.548 -10.397 1.00 0.00 C ATOM 1437 C GLN A 95 0.930 -10.181 -9.417 1.00 0.00 C ATOM 1438 O GLN A 95 0.689 -10.026 -8.221 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.458 -9.371 -11.334 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.663 -9.580 -12.235 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.534 -10.816 -13.103 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -2.130 -11.854 -12.818 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -0.751 -10.710 -14.170 1.00 0.00 N ATOM 0 H GLN A 95 -2.185 -10.301 -9.834 1.00 0.00 H new ATOM 0 HA GLN A 95 0.150 -11.403 -10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.613 -8.472 -10.737 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.421 -9.195 -11.953 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.560 -9.663 -11.622 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.792 -8.705 -12.872 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.276 -9.830 -14.368 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.625 -11.509 -14.791 1.00 0.00 H new ATOM 1452 N GLU A 96 2.147 -10.041 -9.934 1.00 0.00 N ATOM 1453 CA GLU A 96 3.293 -9.689 -9.102 1.00 0.00 C ATOM 1454 C GLU A 96 3.279 -8.202 -8.765 1.00 0.00 C ATOM 1455 O GLU A 96 3.061 -7.358 -9.634 1.00 0.00 O ATOM 1456 CB GLU A 96 4.600 -10.057 -9.809 1.00 0.00 C ATOM 1457 CG GLU A 96 4.657 -9.612 -11.261 1.00 0.00 C ATOM 1458 CD GLU A 96 4.307 -10.728 -12.226 1.00 0.00 C ATOM 1459 OE1 GLU A 96 3.572 -11.652 -11.823 1.00 0.00 O ATOM 1460 OE2 GLU A 96 4.768 -10.674 -13.387 1.00 0.00 O ATOM 0 H GLU A 96 2.365 -10.166 -10.923 1.00 0.00 H new ATOM 0 HA GLU A 96 3.225 -10.255 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.434 -9.609 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.735 -11.138 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.970 -8.779 -11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.658 -9.243 -11.485 1.00 0.00 H new ATOM 1467 N LEU A 97 3.508 -7.889 -7.494 1.00 0.00 N ATOM 1468 CA LEU A 97 3.517 -6.504 -7.033 1.00 0.00 C ATOM 1469 C LEU A 97 4.788 -5.782 -7.472 1.00 0.00 C ATOM 1470 O LEU A 97 4.773 -4.576 -7.718 1.00 0.00 O ATOM 1471 CB LEU A 97 3.391 -6.457 -5.510 1.00 0.00 C ATOM 1472 CG LEU A 97 1.955 -6.467 -4.982 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.516 -7.885 -4.654 1.00 0.00 C ATOM 1474 CD2 LEU A 97 1.828 -5.571 -3.758 1.00 0.00 C ATOM 0 H LEU A 97 3.690 -8.577 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 97 2.665 -5.994 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.923 -7.310 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.890 -5.559 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 97 1.301 -6.077 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.492 -7.872 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.566 -8.499 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.175 -8.303 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.800 -5.591 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.495 -5.930 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.099 -4.549 -4.025 1.00 0.00 H new ATOM 1486 N ASP A 98 5.885 -6.525 -7.563 1.00 0.00 N ATOM 1487 CA ASP A 98 7.166 -5.955 -7.968 1.00 0.00 C ATOM 1488 C ASP A 98 7.065 -5.265 -9.327 1.00 0.00 C ATOM 1489 O ASP A 98 7.876 -4.397 -9.652 1.00 0.00 O ATOM 1490 CB ASP A 98 8.238 -7.045 -8.018 1.00 0.00 C ATOM 1491 CG ASP A 98 8.259 -7.894 -6.762 1.00 0.00 C ATOM 1492 OD1 ASP A 98 7.380 -8.771 -6.624 1.00 0.00 O ATOM 1493 OD2 ASP A 98 9.153 -7.681 -5.917 1.00 0.00 O ATOM 0 H ASP A 98 5.914 -7.525 -7.362 1.00 0.00 H new ATOM 0 HA ASP A 98 7.445 -5.206 -7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.062 -7.685 -8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.215 -6.583 -8.157 1.00 0.00 H new ATOM 1498 N THR A 99 6.072 -5.656 -10.119 1.00 0.00 N ATOM 1499 CA THR A 99 5.876 -5.073 -11.443 1.00 0.00 C ATOM 1500 C THR A 99 5.313 -3.655 -11.352 1.00 0.00 C ATOM 1501 O THR A 99 5.432 -2.873 -12.296 1.00 0.00 O ATOM 1502 CB THR A 99 4.940 -5.951 -12.276 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.461 -7.262 -12.400 1.00 0.00 O ATOM 1504 CG2 THR A 99 4.702 -5.419 -13.673 1.00 0.00 C ATOM 0 H THR A 99 5.391 -6.373 -9.868 1.00 0.00 H new ATOM 0 HA THR A 99 6.850 -5.021 -11.929 1.00 0.00 H new ATOM 0 HB THR A 99 3.992 -5.951 -11.739 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.045 -7.708 -13.167 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.030 -6.090 -14.208 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.253 -4.427 -13.613 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.651 -5.356 -14.205 1.00 0.00 H new ATOM 1512 N TYR A 100 4.703 -3.327 -10.218 1.00 0.00 N ATOM 1513 CA TYR A 100 4.126 -2.000 -10.023 1.00 0.00 C ATOM 1514 C TYR A 100 4.379 -1.495 -8.606 1.00 0.00 C ATOM 1515 O TYR A 100 3.600 -0.707 -8.071 1.00 0.00 O ATOM 1516 CB TYR A 100 2.621 -2.026 -10.302 1.00 0.00 C ATOM 1517 CG TYR A 100 2.240 -2.857 -11.507 1.00 0.00 C ATOM 1518 CD1 TYR A 100 1.948 -4.209 -11.377 1.00 0.00 C ATOM 1519 CD2 TYR A 100 2.171 -2.290 -12.774 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.598 -4.973 -12.475 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.822 -3.046 -13.876 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.536 -4.387 -13.722 1.00 0.00 C ATOM 1523 OH TYR A 100 1.188 -5.143 -14.818 1.00 0.00 O ATOM 0 H TYR A 100 4.595 -3.957 -9.423 1.00 0.00 H new ATOM 0 HA TYR A 100 4.609 -1.320 -10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.105 -2.416 -9.425 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.270 -1.005 -10.451 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.995 -4.671 -10.402 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.394 -1.241 -12.899 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.374 -6.023 -12.357 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.773 -2.590 -14.854 1.00 0.00 H new ATOM 0 HH TYR A 100 0.241 -5.387 -14.760 1.00 0.00 H new ATOM 1533 N LEU A 101 5.471 -1.953 -8.004 1.00 0.00 N ATOM 1534 CA LEU A 101 5.824 -1.548 -6.648 1.00 0.00 C ATOM 1535 C LEU A 101 6.677 -0.282 -6.661 1.00 0.00 C ATOM 1536 O LEU A 101 7.396 -0.017 -7.625 1.00 0.00 O ATOM 1537 CB LEU A 101 6.576 -2.678 -5.942 1.00 0.00 C ATOM 1538 CG LEU A 101 6.012 -3.089 -4.581 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.187 -4.583 -4.359 1.00 0.00 C ATOM 1540 CD2 LEU A 101 6.685 -2.300 -3.468 1.00 0.00 C ATOM 0 H LEU A 101 6.127 -2.605 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 101 4.903 -1.335 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.580 -3.552 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.614 -2.374 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 101 4.946 -2.864 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.780 -4.856 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.660 -5.131 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.247 -4.834 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.273 -2.604 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.757 -2.495 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.508 -1.235 -3.618 1.00 0.00 H new ATOM 1552 N ILE A 102 6.594 0.497 -5.585 1.00 0.00 N ATOM 1553 CA ILE A 102 7.363 1.731 -5.478 1.00 0.00 C ATOM 1554 C ILE A 102 8.863 1.452 -5.526 1.00 0.00 C ATOM 1555 O ILE A 102 9.319 0.395 -5.089 1.00 0.00 O ATOM 1556 CB ILE A 102 7.034 2.490 -4.177 1.00 0.00 C ATOM 1557 CG1 ILE A 102 7.380 1.634 -2.954 1.00 0.00 C ATOM 1558 CG2 ILE A 102 5.567 2.891 -4.154 1.00 0.00 C ATOM 1559 CD1 ILE A 102 8.429 2.257 -2.057 1.00 0.00 C ATOM 0 H ILE A 102 6.004 0.295 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 102 7.084 2.350 -6.331 1.00 0.00 H new ATOM 0 HB ILE A 102 7.639 3.396 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.474 1.461 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.734 0.660 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.350 3.426 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.353 3.537 -5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.945 1.998 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.624 1.597 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.349 2.405 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.070 3.219 -1.690 1.00 0.00 H new ATOM 1571 N PRO A 103 9.654 2.400 -6.060 1.00 0.00 N ATOM 1572 CA PRO A 103 11.108 2.248 -6.164 1.00 0.00 C ATOM 1573 C PRO A 103 11.806 2.401 -4.816 1.00 0.00 C ATOM 1574 O PRO A 103 11.160 2.617 -3.792 1.00 0.00 O ATOM 1575 CB PRO A 103 11.511 3.382 -7.106 1.00 0.00 C ATOM 1576 CG PRO A 103 10.470 4.426 -6.903 1.00 0.00 C ATOM 1577 CD PRO A 103 9.191 3.690 -6.607 1.00 0.00 C ATOM 0 HA PRO A 103 11.392 1.257 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.505 3.761 -6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.538 3.046 -8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.738 5.088 -6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.364 5.049 -7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 103 8.573 4.231 -5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.590 3.552 -7.506 1.00 0.00 H new ATOM 1585 N GLN A 104 13.132 2.288 -4.826 1.00 0.00 N ATOM 1586 CA GLN A 104 13.918 2.414 -3.604 1.00 0.00 C ATOM 1587 C GLN A 104 15.408 2.497 -3.924 1.00 0.00 C ATOM 1588 O GLN A 104 16.097 1.479 -3.993 1.00 0.00 O ATOM 1589 CB GLN A 104 13.651 1.229 -2.675 1.00 0.00 C ATOM 1590 CG GLN A 104 14.363 1.333 -1.337 1.00 0.00 C ATOM 1591 CD GLN A 104 13.576 2.134 -0.319 1.00 0.00 C ATOM 1592 OE1 GLN A 104 12.959 1.575 0.589 1.00 0.00 O ATOM 1593 NE2 GLN A 104 13.591 3.455 -0.464 1.00 0.00 N ATOM 0 H GLN A 104 13.683 2.110 -5.666 1.00 0.00 H new ATOM 0 HA GLN A 104 13.618 3.334 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 104 12.578 1.149 -2.501 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.962 0.311 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.542 0.331 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 104 15.338 1.797 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.115 3.878 -1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 104 13.079 4.046 0.191 1.00 0.00 H new ATOM 1602 N ILE A 105 15.900 3.717 -4.117 1.00 0.00 N ATOM 1603 CA ILE A 105 17.308 3.932 -4.429 1.00 0.00 C ATOM 1604 C ILE A 105 18.183 3.742 -3.190 1.00 0.00 C ATOM 1605 O ILE A 105 17.997 4.426 -2.183 1.00 0.00 O ATOM 1606 CB ILE A 105 17.552 5.342 -5.004 1.00 0.00 C ATOM 1607 CG1 ILE A 105 16.855 6.400 -4.145 1.00 0.00 C ATOM 1608 CG2 ILE A 105 17.065 5.419 -6.444 1.00 0.00 C ATOM 1609 CD1 ILE A 105 17.545 7.745 -4.165 1.00 0.00 C ATOM 0 H ILE A 105 15.345 4.571 -4.063 1.00 0.00 H new ATOM 0 HA ILE A 105 17.579 3.191 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 105 18.624 5.540 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 105 15.830 6.522 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 105 16.801 6.043 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 105 17.244 6.420 -6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 105 17.604 4.691 -7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 105 15.998 5.201 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 105 16.996 8.445 -3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 105 18.562 7.638 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 105 17.575 8.123 -5.187 1.00 0.00 H new ATOM 1621 N PRO A 106 19.152 2.810 -3.243 1.00 0.00 N ATOM 1622 CA PRO A 106 20.048 2.543 -2.114 1.00 0.00 C ATOM 1623 C PRO A 106 21.088 3.643 -1.927 1.00 0.00 C ATOM 1624 O PRO A 106 21.532 3.907 -0.810 1.00 0.00 O ATOM 1625 CB PRO A 106 20.724 1.229 -2.507 1.00 0.00 C ATOM 1626 CG PRO A 106 20.711 1.230 -3.996 1.00 0.00 C ATOM 1627 CD PRO A 106 19.449 1.943 -4.402 1.00 0.00 C ATOM 0 HA PRO A 106 19.511 2.497 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 106 21.741 1.175 -2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.185 0.371 -2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 106 21.590 1.737 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.727 0.212 -4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 106 19.593 2.525 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.637 1.242 -4.597 1.00 0.00 H new ATOM 1635 N HIS A 107 21.472 4.281 -3.028 1.00 0.00 N ATOM 1636 CA HIS A 107 22.459 5.352 -2.986 1.00 0.00 C ATOM 1637 C HIS A 107 21.779 6.716 -2.929 1.00 0.00 C ATOM 1638 O HIS A 107 20.730 6.924 -3.540 1.00 0.00 O ATOM 1639 CB HIS A 107 23.380 5.275 -4.206 1.00 0.00 C ATOM 1640 CG HIS A 107 24.836 5.351 -3.863 1.00 0.00 C ATOM 1641 ND1 HIS A 107 25.795 5.809 -4.743 1.00 0.00 N ATOM 1642 CD2 HIS A 107 25.497 5.024 -2.727 1.00 0.00 C ATOM 1643 CE1 HIS A 107 26.981 5.760 -4.164 1.00 0.00 C ATOM 1644 NE2 HIS A 107 26.828 5.287 -2.940 1.00 0.00 N ATOM 0 H HIS A 107 21.114 4.074 -3.960 1.00 0.00 H new ATOM 0 HA HIS A 107 23.056 5.227 -2.083 1.00 0.00 H new ATOM 0 HB2 HIS A 107 23.188 4.343 -4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 107 23.133 6.088 -4.889 1.00 0.00 H new ATOM 0 HD2 HIS A 107 25.059 4.630 -1.822 1.00 0.00 H new ATOM 0 HE1 HIS A 107 27.917 6.056 -4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 107 27.577 5.141 -2.263 1.00 0.00 H new ATOM 1653 N SER A 108 22.381 7.644 -2.192 1.00 0.00 N ATOM 1654 CA SER A 108 21.832 8.988 -2.055 1.00 0.00 C ATOM 1655 C SER A 108 22.739 10.018 -2.720 1.00 0.00 C ATOM 1656 O SER A 108 23.557 10.658 -2.057 1.00 0.00 O ATOM 1657 CB SER A 108 21.642 9.336 -0.578 1.00 0.00 C ATOM 1658 OG SER A 108 21.153 10.657 -0.421 1.00 0.00 O ATOM 0 H SER A 108 23.250 7.490 -1.680 1.00 0.00 H new ATOM 0 HA SER A 108 20.863 9.009 -2.554 1.00 0.00 H new ATOM 0 HB2 SER A 108 20.946 8.631 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 108 22.591 9.232 -0.052 1.00 0.00 H new ATOM 0 HG SER A 108 21.039 10.853 0.533 1.00 0.00 H new ATOM 1664 N HIS A 109 22.589 10.174 -4.031 1.00 0.00 N ATOM 1665 CA HIS A 109 23.394 11.129 -4.785 1.00 0.00 C ATOM 1666 C HIS A 109 22.542 11.867 -5.810 1.00 0.00 C ATOM 1667 O HIS A 109 22.078 11.279 -6.788 1.00 0.00 O ATOM 1668 CB HIS A 109 24.551 10.411 -5.483 1.00 0.00 C ATOM 1669 CG HIS A 109 25.878 10.635 -4.825 1.00 0.00 C ATOM 1670 ND1 HIS A 109 26.011 10.963 -3.492 1.00 0.00 N ATOM 1671 CD2 HIS A 109 27.136 10.575 -5.323 1.00 0.00 C ATOM 1672 CE1 HIS A 109 27.293 11.098 -3.200 1.00 0.00 C ATOM 1673 NE2 HIS A 109 27.996 10.866 -4.294 1.00 0.00 N ATOM 0 H HIS A 109 21.918 9.652 -4.594 1.00 0.00 H new ATOM 0 HA HIS A 109 23.800 11.860 -4.085 1.00 0.00 H new ATOM 0 HB2 HIS A 109 24.342 9.341 -5.507 1.00 0.00 H new ATOM 0 HB3 HIS A 109 24.606 10.749 -6.518 1.00 0.00 H new ATOM 0 HD1 HIS A 109 25.241 11.083 -2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 109 27.411 10.342 -6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 109 27.697 11.354 -2.232 1.00 0.00 H new ATOM 1682 N TYR A 110 22.338 13.160 -5.582 1.00 0.00 N ATOM 1683 CA TYR A 110 21.541 13.981 -6.486 1.00 0.00 C ATOM 1684 C TYR A 110 20.115 13.447 -6.591 1.00 0.00 C ATOM 1685 O TYR A 110 19.375 13.911 -7.484 1.00 0.00 O ATOM 1686 CB TYR A 110 22.189 14.027 -7.872 1.00 0.00 C ATOM 1687 CG TYR A 110 22.780 15.374 -8.221 1.00 0.00 C ATOM 1688 CD1 TYR A 110 24.068 15.713 -7.828 1.00 0.00 C ATOM 1689 CD2 TYR A 110 22.048 16.308 -8.944 1.00 0.00 C ATOM 1690 CE1 TYR A 110 24.611 16.944 -8.145 1.00 0.00 C ATOM 1691 CE2 TYR A 110 22.583 17.541 -9.265 1.00 0.00 C ATOM 1692 CZ TYR A 110 23.864 17.854 -8.863 1.00 0.00 C ATOM 1693 OH TYR A 110 24.401 19.080 -9.180 1.00 0.00 O ATOM 1694 OXT TYR A 110 19.753 12.567 -5.782 1.00 0.00 O ATOM 0 H TYR A 110 22.714 13.662 -4.778 1.00 0.00 H new ATOM 0 HA TYR A 110 21.500 14.992 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 110 22.973 13.272 -7.922 1.00 0.00 H new ATOM 0 HB3 TYR A 110 21.443 13.762 -8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 110 24.655 15.003 -7.265 1.00 0.00 H new ATOM 0 HD2 TYR A 110 21.044 16.066 -9.260 1.00 0.00 H new ATOM 0 HE1 TYR A 110 25.615 17.192 -7.832 1.00 0.00 H new ATOM 0 HE2 TYR A 110 22.001 18.256 -9.828 1.00 0.00 H new ATOM 0 HH TYR A 110 23.746 19.602 -9.689 1.00 0.00 H new TER 1704 TYR A 110