USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 646 hydrogens (35 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 138:sc= 0.155 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 72:sc= 0.661 USER MOD Single : A 4 GLN : amide:sc= -0.919 K(o=-0.92,f=-2.4!) USER MOD Single : A 16 ASN : amide:sc= 1.14 K(o=1.1,f=-0.078) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.0524) USER MOD Single : A 30 LYS NZ :NH3+ -116:sc= 1.25 (180deg=-0.182) USER MOD Single : A 31 SER OG : rot 140:sc= -0.278 USER MOD Single : A 33 THR OG1 : rot 139:sc= 1.22 USER MOD Single : A 42 SER OG : rot -160:sc= -0.134 USER MOD Single : A 43 MET CE :methyl -165:sc= -4.61! (180deg=-5.54!) USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= 0.856 (180deg=0.137) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.734! K(o=-0.73!,f=-1.8) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.52 USER MOD Single : A 73 THR OG1 : rot -89:sc= 1.23 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -170:sc= 0.946 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0.337 K(o=0.34,f=-0.2) USER MOD Single : A 101 SXO O33 : rot 121:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.808 11.245 -2.929 1.00 2.17 N ATOM 2 CA ALA A 1 12.150 9.983 -2.672 1.00 1.67 C ATOM 3 C ALA A 1 10.727 10.267 -2.267 1.00 1.37 C ATOM 4 O ALA A 1 10.425 11.361 -1.776 1.00 1.65 O ATOM 5 CB ALA A 1 12.882 9.197 -1.592 1.00 2.09 C ATOM 0 H1 ALA A 1 13.766 11.225 -2.526 1.00 2.17 H new ATOM 0 H2 ALA A 1 12.867 11.403 -3.955 1.00 2.17 H new ATOM 0 H3 ALA A 1 12.264 12.016 -2.491 1.00 2.17 H new ATOM 0 HA ALA A 1 12.160 9.369 -3.573 1.00 1.67 H new ATOM 0 HB1 ALA A 1 12.367 8.252 -1.417 1.00 2.09 H new ATOM 0 HB2 ALA A 1 13.904 8.999 -1.916 1.00 2.09 H new ATOM 0 HB3 ALA A 1 12.900 9.777 -0.669 1.00 2.09 H new ATOM 13 N ALA A 2 9.856 9.323 -2.494 1.00 1.12 N ATOM 14 CA ALA A 2 8.466 9.482 -2.163 1.00 0.91 C ATOM 15 C ALA A 2 8.233 9.167 -0.692 1.00 0.87 C ATOM 16 O ALA A 2 8.531 8.062 -0.226 1.00 1.07 O ATOM 17 CB ALA A 2 7.616 8.600 -3.055 1.00 0.92 C ATOM 0 H ALA A 2 10.089 8.423 -2.913 1.00 1.12 H new ATOM 0 HA ALA A 2 8.175 10.519 -2.333 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.565 8.727 -2.797 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.770 8.880 -4.097 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.901 7.557 -2.914 1.00 0.92 H new ATOM 23 N THR A 3 7.737 10.133 0.036 1.00 0.76 N ATOM 24 CA THR A 3 7.507 9.972 1.448 1.00 0.76 C ATOM 25 C THR A 3 6.060 9.492 1.704 1.00 0.56 C ATOM 26 O THR A 3 5.397 9.102 0.774 1.00 0.48 O ATOM 27 CB THR A 3 7.851 11.268 2.212 1.00 0.97 C ATOM 28 OG1 THR A 3 8.839 12.012 1.450 1.00 1.45 O ATOM 29 CG2 THR A 3 8.465 10.929 3.562 1.00 1.57 C ATOM 0 H THR A 3 7.482 11.050 -0.331 1.00 0.76 H new ATOM 0 HA THR A 3 8.173 9.200 1.833 1.00 0.76 H new ATOM 0 HB THR A 3 6.940 11.850 2.352 1.00 0.97 H new ATOM 0 HG1 THR A 3 8.417 12.394 0.652 1.00 1.45 H new ATOM 0 HG21 THR A 3 8.705 11.850 4.094 1.00 1.57 H new ATOM 0 HG22 THR A 3 7.755 10.345 4.148 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.376 10.349 3.412 1.00 1.57 H new ATOM 37 N GLN A 4 5.558 9.579 2.936 1.00 0.58 N ATOM 38 CA GLN A 4 4.273 8.950 3.283 1.00 0.52 C ATOM 39 C GLN A 4 3.086 9.466 2.488 1.00 0.49 C ATOM 40 O GLN A 4 2.269 8.673 2.051 1.00 0.51 O ATOM 41 CB GLN A 4 3.970 8.912 4.798 1.00 0.65 C ATOM 42 CG GLN A 4 3.838 10.255 5.510 1.00 1.14 C ATOM 43 CD GLN A 4 5.142 10.989 5.630 1.00 1.21 C ATOM 44 OE1 GLN A 4 5.506 11.781 4.766 1.00 1.64 O ATOM 45 NE2 GLN A 4 5.869 10.705 6.664 1.00 1.76 N ATOM 0 H GLN A 4 6.011 10.072 3.706 1.00 0.58 H new ATOM 0 HA GLN A 4 4.419 7.915 2.975 1.00 0.52 H new ATOM 0 HB2 GLN A 4 3.043 8.358 4.945 1.00 0.65 H new ATOM 0 HB3 GLN A 4 4.761 8.345 5.288 1.00 0.65 H new ATOM 0 HG2 GLN A 4 3.126 10.878 4.969 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.427 10.092 6.506 1.00 1.14 H new ATOM 0 HE21 GLN A 4 5.529 10.041 7.359 1.00 1.76 H new ATOM 0 HE22 GLN A 4 6.781 11.146 6.783 1.00 1.76 H new ATOM 54 N GLU A 5 3.023 10.764 2.244 1.00 0.53 N ATOM 55 CA GLU A 5 1.915 11.326 1.479 1.00 0.58 C ATOM 56 C GLU A 5 2.004 10.857 0.046 1.00 0.53 C ATOM 57 O GLU A 5 1.031 10.385 -0.534 1.00 0.60 O ATOM 58 CB GLU A 5 1.924 12.857 1.526 1.00 0.72 C ATOM 59 CG GLU A 5 1.653 13.452 2.895 1.00 1.48 C ATOM 60 CD GLU A 5 0.276 13.107 3.404 1.00 2.18 C ATOM 61 OE1 GLU A 5 -0.701 13.184 2.620 1.00 2.49 O ATOM 62 OE2 GLU A 5 0.135 12.729 4.575 1.00 3.05 O ATOM 0 H GLU A 5 3.715 11.444 2.559 1.00 0.53 H new ATOM 0 HA GLU A 5 0.982 10.982 1.925 1.00 0.58 H new ATOM 0 HB2 GLU A 5 2.894 13.212 1.176 1.00 0.72 H new ATOM 0 HB3 GLU A 5 1.176 13.233 0.827 1.00 0.72 H new ATOM 0 HG2 GLU A 5 2.401 13.090 3.601 1.00 1.48 H new ATOM 0 HG3 GLU A 5 1.759 14.536 2.846 1.00 1.48 H new ATOM 69 N GLU A 6 3.206 10.927 -0.478 1.00 0.50 N ATOM 70 CA GLU A 6 3.503 10.534 -1.841 1.00 0.50 C ATOM 71 C GLU A 6 3.268 9.032 -2.026 1.00 0.42 C ATOM 72 O GLU A 6 2.773 8.586 -3.059 1.00 0.43 O ATOM 73 CB GLU A 6 4.952 10.881 -2.142 1.00 0.59 C ATOM 74 CG GLU A 6 5.277 12.349 -1.934 1.00 1.06 C ATOM 75 CD GLU A 6 6.747 12.638 -2.025 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.235 12.916 -3.150 1.00 2.16 O ATOM 77 OE2 GLU A 6 7.446 12.577 -0.999 1.00 2.53 O ATOM 0 H GLU A 6 4.020 11.264 0.037 1.00 0.50 H new ATOM 0 HA GLU A 6 2.845 11.066 -2.528 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.601 10.279 -1.506 1.00 0.59 H new ATOM 0 HB3 GLU A 6 5.176 10.610 -3.174 1.00 0.59 H new ATOM 0 HG2 GLU A 6 4.748 12.943 -2.679 1.00 1.06 H new ATOM 0 HG3 GLU A 6 4.909 12.663 -0.957 1.00 1.06 H new ATOM 84 N ILE A 7 3.605 8.266 -1.016 1.00 0.36 N ATOM 85 CA ILE A 7 3.416 6.848 -1.067 1.00 0.33 C ATOM 86 C ILE A 7 1.919 6.507 -0.984 1.00 0.30 C ATOM 87 O ILE A 7 1.401 5.812 -1.840 1.00 0.30 O ATOM 88 CB ILE A 7 4.210 6.098 0.039 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.735 6.265 -0.161 1.00 0.40 C ATOM 90 CG2 ILE A 7 3.841 4.622 0.061 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.283 5.762 -1.495 1.00 0.45 C ATOM 0 H ILE A 7 4.013 8.610 -0.147 1.00 0.36 H new ATOM 0 HA ILE A 7 3.811 6.506 -2.024 1.00 0.33 H new ATOM 0 HB ILE A 7 3.940 6.539 0.999 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.983 7.322 -0.062 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.249 5.740 0.644 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.409 4.117 0.842 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.775 4.516 0.261 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.075 4.174 -0.905 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.360 5.927 -1.531 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.075 4.697 -1.595 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.805 6.303 -2.312 1.00 0.45 H new ATOM 103 N VAL A 8 1.228 7.025 0.030 1.00 0.31 N ATOM 104 CA VAL A 8 -0.201 6.737 0.220 1.00 0.35 C ATOM 105 C VAL A 8 -1.048 7.188 -0.986 1.00 0.34 C ATOM 106 O VAL A 8 -1.982 6.484 -1.390 1.00 0.36 O ATOM 107 CB VAL A 8 -0.757 7.323 1.555 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.248 7.104 1.674 1.00 0.57 C ATOM 109 CG2 VAL A 8 -0.076 6.668 2.734 1.00 0.49 C ATOM 0 H VAL A 8 1.629 7.645 0.733 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.284 5.652 0.291 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.556 8.394 1.551 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.603 7.524 2.615 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.755 7.594 0.843 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.462 6.035 1.650 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.472 7.085 3.660 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.261 5.594 2.711 1.00 0.49 H new ATOM 0 HG23 VAL A 8 0.997 6.852 2.683 1.00 0.49 H new ATOM 119 N ALA A 9 -0.688 8.315 -1.589 1.00 0.37 N ATOM 120 CA ALA A 9 -1.379 8.802 -2.785 1.00 0.41 C ATOM 121 C ALA A 9 -1.222 7.807 -3.939 1.00 0.37 C ATOM 122 O ALA A 9 -2.133 7.625 -4.754 1.00 0.43 O ATOM 123 CB ALA A 9 -0.852 10.166 -3.188 1.00 0.48 C ATOM 0 H ALA A 9 0.077 8.911 -1.273 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.440 8.897 -2.552 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.378 10.511 -4.078 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.014 10.873 -2.375 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.215 10.096 -3.401 1.00 0.48 H new ATOM 129 N GLY A 10 -0.072 7.155 -3.984 1.00 0.33 N ATOM 130 CA GLY A 10 0.172 6.145 -4.980 1.00 0.34 C ATOM 131 C GLY A 10 -0.531 4.850 -4.614 1.00 0.31 C ATOM 132 O GLY A 10 -1.037 4.153 -5.476 1.00 0.37 O ATOM 0 H GLY A 10 0.702 7.313 -3.339 1.00 0.33 H new ATOM 0 HA2 GLY A 10 -0.179 6.493 -5.952 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.244 5.969 -5.072 1.00 0.34 H new ATOM 136 N LEU A 11 -0.562 4.542 -3.322 1.00 0.26 N ATOM 137 CA LEU A 11 -1.257 3.357 -2.817 1.00 0.25 C ATOM 138 C LEU A 11 -2.716 3.421 -3.202 1.00 0.23 C ATOM 139 O LEU A 11 -3.254 2.505 -3.829 1.00 0.24 O ATOM 140 CB LEU A 11 -1.144 3.259 -1.284 1.00 0.28 C ATOM 141 CG LEU A 11 0.247 3.023 -0.710 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.204 3.059 0.811 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.785 1.690 -1.185 1.00 0.32 C ATOM 0 H LEU A 11 -0.110 5.100 -2.598 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.790 2.476 -3.259 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.536 4.181 -0.855 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.792 2.450 -0.947 1.00 0.28 H new ATOM 0 HG LEU A 11 0.909 3.816 -1.059 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.205 2.889 1.207 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.157 4.033 1.142 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.467 2.281 1.175 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.780 1.530 -0.769 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.121 0.891 -0.855 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.842 1.688 -2.274 1.00 0.32 H new ATOM 155 N ALA A 12 -3.332 4.542 -2.886 1.00 0.23 N ATOM 156 CA ALA A 12 -4.730 4.750 -3.153 1.00 0.23 C ATOM 157 C ALA A 12 -5.021 4.837 -4.643 1.00 0.21 C ATOM 158 O ALA A 12 -6.139 4.655 -5.044 1.00 0.24 O ATOM 159 CB ALA A 12 -5.234 5.973 -2.436 1.00 0.28 C ATOM 0 H ALA A 12 -2.871 5.333 -2.436 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.264 3.880 -2.772 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.293 6.111 -2.652 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -5.096 5.848 -1.362 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.678 6.848 -2.774 1.00 0.28 H new ATOM 165 N GLU A 13 -4.004 5.096 -5.448 1.00 0.24 N ATOM 166 CA GLU A 13 -4.129 5.150 -6.866 1.00 0.29 C ATOM 167 C GLU A 13 -4.468 3.756 -7.390 1.00 0.28 C ATOM 168 O GLU A 13 -5.481 3.565 -8.075 1.00 0.37 O ATOM 169 CB GLU A 13 -2.819 5.699 -7.438 1.00 0.42 C ATOM 170 CG GLU A 13 -2.640 5.526 -8.904 1.00 0.94 C ATOM 171 CD GLU A 13 -3.616 6.310 -9.749 1.00 1.53 C ATOM 172 OE1 GLU A 13 -3.393 7.497 -9.987 1.00 1.55 O ATOM 173 OE2 GLU A 13 -4.655 5.750 -10.150 1.00 2.48 O ATOM 0 H GLU A 13 -3.058 5.276 -5.112 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.936 5.813 -7.178 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -2.758 6.762 -7.205 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -1.988 5.212 -6.928 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -1.626 5.824 -9.171 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -2.736 4.468 -9.147 1.00 0.94 H new ATOM 180 N ILE A 14 -3.674 2.769 -7.012 1.00 0.24 N ATOM 181 CA ILE A 14 -3.960 1.423 -7.437 1.00 0.28 C ATOM 182 C ILE A 14 -5.193 0.891 -6.677 1.00 0.25 C ATOM 183 O ILE A 14 -6.039 0.201 -7.247 1.00 0.32 O ATOM 184 CB ILE A 14 -2.749 0.415 -7.326 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.538 0.830 -8.201 1.00 0.43 C ATOM 186 CG2 ILE A 14 -3.191 -0.969 -7.747 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.693 1.958 -7.658 1.00 0.44 C ATOM 0 H ILE A 14 -2.846 2.876 -6.425 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.167 1.483 -8.505 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.432 0.425 -6.283 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.900 -0.042 -8.342 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.906 1.118 -9.186 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.351 -1.659 -7.668 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.999 -1.306 -7.098 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.542 -0.941 -8.779 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.124 2.165 -8.349 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.308 2.851 -7.545 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.285 1.673 -6.688 1.00 0.44 H new ATOM 199 N VAL A 15 -5.335 1.276 -5.408 1.00 0.22 N ATOM 200 CA VAL A 15 -6.489 0.851 -4.621 1.00 0.22 C ATOM 201 C VAL A 15 -7.809 1.475 -5.158 1.00 0.22 C ATOM 202 O VAL A 15 -8.885 0.928 -4.983 1.00 0.25 O ATOM 203 CB VAL A 15 -6.325 1.059 -3.067 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.536 0.554 -2.314 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.108 0.325 -2.545 1.00 0.34 C ATOM 0 H VAL A 15 -4.674 1.873 -4.910 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.549 -0.229 -4.754 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.211 2.131 -2.905 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.392 0.712 -1.245 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.422 1.096 -2.644 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.668 -0.510 -2.509 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.019 0.486 -1.471 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.213 -0.741 -2.745 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.215 0.701 -3.043 1.00 0.34 H new ATOM 215 N ASN A 16 -7.709 2.584 -5.853 1.00 0.24 N ATOM 216 CA ASN A 16 -8.876 3.206 -6.489 1.00 0.30 C ATOM 217 C ASN A 16 -9.320 2.375 -7.686 1.00 0.34 C ATOM 218 O ASN A 16 -10.496 2.305 -8.013 1.00 0.43 O ATOM 219 CB ASN A 16 -8.572 4.654 -6.914 1.00 0.37 C ATOM 220 CG ASN A 16 -9.729 5.327 -7.636 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.816 5.289 -8.847 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.619 5.931 -6.896 1.00 0.48 N ATOM 0 H ASN A 16 -6.833 3.086 -6.000 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.687 3.239 -5.762 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.316 5.238 -6.030 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.697 4.658 -7.563 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.418 6.390 -7.332 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.515 5.944 -5.881 1.00 0.48 H new ATOM 229 N GLU A 17 -8.376 1.717 -8.296 1.00 0.37 N ATOM 230 CA GLU A 17 -8.648 0.869 -9.425 1.00 0.48 C ATOM 231 C GLU A 17 -9.170 -0.486 -8.940 1.00 0.47 C ATOM 232 O GLU A 17 -10.088 -1.056 -9.510 1.00 0.60 O ATOM 233 CB GLU A 17 -7.369 0.693 -10.257 1.00 0.63 C ATOM 234 CG GLU A 17 -7.549 -0.119 -11.521 1.00 1.05 C ATOM 235 CD GLU A 17 -8.595 0.475 -12.426 1.00 1.51 C ATOM 236 OE1 GLU A 17 -8.297 1.432 -13.151 1.00 1.70 O ATOM 237 OE2 GLU A 17 -9.731 -0.033 -12.447 1.00 2.11 O ATOM 0 H GLU A 17 -7.393 1.752 -8.025 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.411 1.329 -10.053 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -6.986 1.678 -10.524 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -6.611 0.214 -9.637 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -6.600 -0.178 -12.053 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -7.832 -1.139 -11.260 1.00 1.05 H new ATOM 244 N ILE A 18 -8.586 -0.977 -7.879 1.00 0.39 N ATOM 245 CA ILE A 18 -8.949 -2.281 -7.327 1.00 0.43 C ATOM 246 C ILE A 18 -10.239 -2.203 -6.502 1.00 0.44 C ATOM 247 O ILE A 18 -11.191 -2.942 -6.744 1.00 0.53 O ATOM 248 CB ILE A 18 -7.781 -2.806 -6.439 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.517 -2.977 -7.286 1.00 0.52 C ATOM 250 CG2 ILE A 18 -8.139 -4.113 -5.734 1.00 0.50 C ATOM 251 CD1 ILE A 18 -6.659 -3.976 -8.414 1.00 0.71 C ATOM 0 H ILE A 18 -7.847 -0.497 -7.366 1.00 0.39 H new ATOM 0 HA ILE A 18 -9.126 -2.968 -8.155 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.595 -2.065 -5.662 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -6.240 -2.010 -7.705 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.698 -3.291 -6.638 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.296 -4.442 -5.127 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -9.007 -3.955 -5.094 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.370 -4.876 -6.477 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -5.721 -4.038 -8.965 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.905 -4.956 -8.004 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -7.454 -3.655 -9.087 1.00 0.71 H new ATOM 263 N ALA A 19 -10.270 -1.309 -5.556 1.00 0.40 N ATOM 264 CA ALA A 19 -11.397 -1.192 -4.665 1.00 0.46 C ATOM 265 C ALA A 19 -12.307 -0.052 -5.093 1.00 0.45 C ATOM 266 O ALA A 19 -13.518 -0.230 -5.233 1.00 0.68 O ATOM 267 CB ALA A 19 -10.909 -1.006 -3.244 1.00 0.52 C ATOM 0 H ALA A 19 -9.520 -0.641 -5.378 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.983 -2.110 -4.710 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.764 -0.918 -2.574 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.306 -1.865 -2.951 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.305 -0.101 -3.182 1.00 0.52 H new ATOM 273 N GLY A 20 -11.731 1.106 -5.331 1.00 0.44 N ATOM 274 CA GLY A 20 -12.535 2.230 -5.781 1.00 0.46 C ATOM 275 C GLY A 20 -12.565 3.394 -4.819 1.00 0.52 C ATOM 276 O GLY A 20 -13.272 4.375 -5.056 1.00 0.93 O ATOM 0 H GLY A 20 -10.734 1.296 -5.225 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -12.151 2.576 -6.741 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.556 1.887 -5.951 1.00 0.46 H new ATOM 280 N ILE A 21 -11.819 3.298 -3.738 1.00 0.38 N ATOM 281 CA ILE A 21 -11.757 4.384 -2.764 1.00 0.39 C ATOM 282 C ILE A 21 -11.134 5.655 -3.343 1.00 0.43 C ATOM 283 O ILE A 21 -10.275 5.587 -4.223 1.00 0.50 O ATOM 284 CB ILE A 21 -11.054 3.978 -1.425 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.758 3.158 -1.632 1.00 0.41 C ATOM 286 CG2 ILE A 21 -12.011 3.259 -0.503 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.593 3.909 -2.256 1.00 0.43 C ATOM 0 H ILE A 21 -11.247 2.486 -3.506 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.797 4.604 -2.521 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.748 4.911 -0.952 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.439 2.768 -0.665 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.991 2.299 -2.261 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.495 2.989 0.419 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.852 3.912 -0.270 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -12.377 2.356 -0.991 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.739 3.239 -2.354 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -8.882 4.275 -3.241 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.321 4.752 -1.621 1.00 0.43 H new ATOM 299 N PRO A 22 -11.581 6.821 -2.899 1.00 0.52 N ATOM 300 CA PRO A 22 -11.022 8.080 -3.337 1.00 0.60 C ATOM 301 C PRO A 22 -9.622 8.248 -2.768 1.00 0.55 C ATOM 302 O PRO A 22 -9.399 8.011 -1.573 1.00 0.52 O ATOM 303 CB PRO A 22 -11.968 9.138 -2.741 1.00 0.74 C ATOM 304 CG PRO A 22 -13.155 8.381 -2.257 1.00 0.75 C ATOM 305 CD PRO A 22 -12.668 7.012 -1.936 1.00 0.63 C ATOM 0 HA PRO A 22 -10.940 8.155 -4.421 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.488 9.679 -1.925 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.252 9.877 -3.490 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.589 8.857 -1.377 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -13.934 8.349 -3.019 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.315 6.939 -0.907 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.452 6.265 -2.057 1.00 0.63 H new ATOM 313 N VAL A 23 -8.697 8.677 -3.597 1.00 0.62 N ATOM 314 CA VAL A 23 -7.309 8.844 -3.188 1.00 0.65 C ATOM 315 C VAL A 23 -7.192 9.922 -2.105 1.00 0.73 C ATOM 316 O VAL A 23 -6.342 9.853 -1.227 1.00 1.02 O ATOM 317 CB VAL A 23 -6.383 9.195 -4.391 1.00 0.78 C ATOM 318 CG1 VAL A 23 -6.408 8.091 -5.435 1.00 1.48 C ATOM 319 CG2 VAL A 23 -6.789 10.515 -5.021 1.00 1.35 C ATOM 0 H VAL A 23 -8.878 8.921 -4.571 1.00 0.62 H new ATOM 0 HA VAL A 23 -6.978 7.888 -2.782 1.00 0.65 H new ATOM 0 HB VAL A 23 -5.367 9.290 -4.009 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -5.754 8.360 -6.264 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -6.062 7.159 -4.987 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.426 7.961 -5.803 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -6.127 10.737 -5.858 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -7.816 10.447 -5.379 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -6.715 11.310 -4.279 1.00 1.35 H new ATOM 329 N GLU A 24 -8.110 10.868 -2.149 1.00 0.66 N ATOM 330 CA GLU A 24 -8.163 11.983 -1.217 1.00 0.76 C ATOM 331 C GLU A 24 -8.676 11.524 0.151 1.00 0.69 C ATOM 332 O GLU A 24 -8.529 12.216 1.156 1.00 0.80 O ATOM 333 CB GLU A 24 -9.101 13.039 -1.797 1.00 0.99 C ATOM 334 CG GLU A 24 -10.515 12.515 -1.999 1.00 1.22 C ATOM 335 CD GLU A 24 -11.376 13.418 -2.817 1.00 1.54 C ATOM 336 OE1 GLU A 24 -12.013 14.322 -2.255 1.00 2.03 O ATOM 337 OE2 GLU A 24 -11.457 13.208 -4.042 1.00 1.89 O ATOM 0 H GLU A 24 -8.855 10.886 -2.846 1.00 0.66 H new ATOM 0 HA GLU A 24 -7.163 12.394 -1.077 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -9.128 13.901 -1.131 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -8.706 13.386 -2.752 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -10.466 11.539 -2.481 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -10.981 12.367 -1.025 1.00 1.22 H new ATOM 344 N ASP A 25 -9.253 10.347 0.188 1.00 0.60 N ATOM 345 CA ASP A 25 -9.865 9.856 1.394 1.00 0.64 C ATOM 346 C ASP A 25 -8.888 9.026 2.193 1.00 0.55 C ATOM 347 O ASP A 25 -9.032 8.859 3.392 1.00 0.58 O ATOM 348 CB ASP A 25 -11.105 9.045 1.035 1.00 0.72 C ATOM 349 CG ASP A 25 -11.900 8.606 2.246 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.347 9.469 3.024 1.00 1.07 O ATOM 351 OD2 ASP A 25 -12.088 7.374 2.446 1.00 0.98 O ATOM 0 H ASP A 25 -9.310 9.711 -0.608 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.160 10.701 2.016 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.745 9.641 0.384 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.804 8.165 0.467 1.00 0.72 H new ATOM 356 N VAL A 26 -7.860 8.571 1.541 1.00 0.51 N ATOM 357 CA VAL A 26 -6.899 7.700 2.165 1.00 0.47 C ATOM 358 C VAL A 26 -5.722 8.498 2.725 1.00 0.47 C ATOM 359 O VAL A 26 -4.831 8.916 1.985 1.00 0.51 O ATOM 360 CB VAL A 26 -6.400 6.630 1.158 1.00 0.51 C ATOM 361 CG1 VAL A 26 -5.476 5.624 1.831 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.582 5.913 0.528 1.00 0.70 C ATOM 0 H VAL A 26 -7.661 8.790 0.565 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.391 7.193 2.995 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.833 7.140 0.379 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -5.144 4.888 1.099 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.610 6.143 2.242 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -6.012 5.119 2.635 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -7.220 5.165 -0.177 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -8.168 5.425 1.306 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -8.207 6.635 0.002 1.00 0.70 H new ATOM 372 N LYS A 27 -5.810 8.821 4.002 1.00 0.49 N ATOM 373 CA LYS A 27 -4.715 9.425 4.731 1.00 0.54 C ATOM 374 C LYS A 27 -3.938 8.286 5.407 1.00 0.47 C ATOM 375 O LYS A 27 -4.227 7.123 5.149 1.00 0.51 O ATOM 376 CB LYS A 27 -5.220 10.414 5.810 1.00 0.65 C ATOM 377 CG LYS A 27 -5.937 11.678 5.325 1.00 0.83 C ATOM 378 CD LYS A 27 -7.325 11.424 4.755 1.00 1.53 C ATOM 379 CE LYS A 27 -8.019 12.738 4.442 1.00 2.02 C ATOM 380 NZ LYS A 27 -9.342 12.552 3.816 1.00 2.83 N ATOM 0 H LYS A 27 -6.648 8.670 4.564 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.088 9.991 4.042 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -5.898 9.874 6.471 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.365 10.721 6.412 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -6.020 12.378 6.157 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.325 12.160 4.562 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -7.248 10.822 3.850 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -7.919 10.853 5.469 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -8.135 13.310 5.362 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -7.388 13.328 3.777 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -9.941 13.378 4.018 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -9.228 12.450 2.787 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -9.791 11.697 4.201 1.00 2.83 H new ATOM 394 N LEU A 28 -3.014 8.605 6.302 1.00 0.49 N ATOM 395 CA LEU A 28 -2.193 7.575 6.981 1.00 0.47 C ATOM 396 C LEU A 28 -2.990 6.791 8.025 1.00 0.50 C ATOM 397 O LEU A 28 -2.556 5.738 8.487 1.00 0.56 O ATOM 398 CB LEU A 28 -0.928 8.175 7.644 1.00 0.54 C ATOM 399 CG LEU A 28 0.301 8.473 6.757 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.842 7.207 6.139 1.00 1.07 C ATOM 401 CD2 LEU A 28 0.007 9.503 5.690 1.00 0.99 C ATOM 0 H LEU A 28 -2.804 9.562 6.584 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.881 6.888 6.194 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.219 9.106 8.130 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.610 7.491 8.431 1.00 0.54 H new ATOM 0 HG LEU A 28 1.064 8.896 7.410 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.707 7.445 5.520 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.140 6.516 6.927 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.071 6.744 5.523 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.903 9.676 5.095 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.793 9.140 5.045 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.302 10.436 6.161 1.00 0.99 H new ATOM 413 N ASP A 29 -4.172 7.274 8.350 1.00 0.56 N ATOM 414 CA ASP A 29 -5.016 6.655 9.384 1.00 0.65 C ATOM 415 C ASP A 29 -5.937 5.613 8.776 1.00 0.61 C ATOM 416 O ASP A 29 -6.937 5.207 9.375 1.00 1.03 O ATOM 417 CB ASP A 29 -5.846 7.714 10.125 1.00 0.87 C ATOM 418 CG ASP A 29 -4.997 8.737 10.835 1.00 1.73 C ATOM 419 OD1 ASP A 29 -4.504 8.455 11.950 1.00 2.34 O ATOM 420 OD2 ASP A 29 -4.791 9.842 10.286 1.00 2.47 O ATOM 0 H ASP A 29 -4.583 8.100 7.916 1.00 0.56 H new ATOM 0 HA ASP A 29 -4.355 6.167 10.100 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -6.497 8.221 9.413 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -6.492 7.219 10.850 1.00 0.87 H new ATOM 425 N LYS A 30 -5.594 5.175 7.598 1.00 0.43 N ATOM 426 CA LYS A 30 -6.348 4.179 6.894 1.00 0.39 C ATOM 427 C LYS A 30 -5.637 2.835 6.955 1.00 0.38 C ATOM 428 O LYS A 30 -4.463 2.741 7.325 1.00 0.57 O ATOM 429 CB LYS A 30 -6.542 4.589 5.425 1.00 0.44 C ATOM 430 CG LYS A 30 -7.457 5.783 5.203 1.00 0.51 C ATOM 431 CD LYS A 30 -8.893 5.432 5.527 1.00 0.75 C ATOM 432 CE LYS A 30 -9.838 6.587 5.268 1.00 0.98 C ATOM 433 NZ LYS A 30 -11.260 6.197 5.432 1.00 1.06 N ATOM 0 H LYS A 30 -4.771 5.505 7.093 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.324 4.091 7.372 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.566 4.814 4.995 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -6.943 3.737 4.876 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -7.132 6.616 5.827 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.384 6.114 4.167 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.199 4.574 4.929 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.965 5.134 6.573 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.606 7.404 5.952 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.681 6.963 4.257 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.751 6.284 4.520 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.314 5.212 5.762 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.713 6.821 6.130 1.00 1.06 H new ATOM 447 N SER A 31 -6.339 1.821 6.592 1.00 0.46 N ATOM 448 CA SER A 31 -5.829 0.493 6.506 1.00 0.44 C ATOM 449 C SER A 31 -6.436 -0.109 5.270 1.00 0.45 C ATOM 450 O SER A 31 -7.472 0.384 4.813 1.00 0.57 O ATOM 451 CB SER A 31 -6.183 -0.310 7.759 1.00 0.49 C ATOM 452 OG SER A 31 -5.814 -1.670 7.611 1.00 1.31 O ATOM 0 H SER A 31 -7.324 1.894 6.336 1.00 0.46 H new ATOM 0 HA SER A 31 -4.741 0.486 6.444 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.675 0.116 8.624 1.00 0.49 H new ATOM 0 HB3 SER A 31 -7.254 -0.239 7.951 1.00 0.49 H new ATOM 0 HG SER A 31 -5.439 -2.001 8.454 1.00 1.31 H new ATOM 458 N PHE A 32 -5.866 -1.178 4.763 1.00 0.41 N ATOM 459 CA PHE A 32 -6.285 -1.699 3.499 1.00 0.46 C ATOM 460 C PHE A 32 -7.550 -2.452 3.655 1.00 0.55 C ATOM 461 O PHE A 32 -8.496 -2.225 2.930 1.00 1.03 O ATOM 462 CB PHE A 32 -5.193 -2.559 2.860 1.00 0.51 C ATOM 463 CG PHE A 32 -3.950 -1.782 2.524 1.00 0.50 C ATOM 464 CD1 PHE A 32 -3.813 -1.162 1.292 1.00 0.55 C ATOM 465 CD2 PHE A 32 -2.917 -1.680 3.441 1.00 0.52 C ATOM 466 CE1 PHE A 32 -2.672 -0.459 0.981 1.00 0.59 C ATOM 467 CE2 PHE A 32 -1.770 -0.975 3.135 1.00 0.58 C ATOM 468 CZ PHE A 32 -1.668 -0.333 1.902 1.00 0.60 C ATOM 0 H PHE A 32 -5.112 -1.698 5.212 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.465 -0.863 2.823 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.934 -3.371 3.540 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.585 -3.017 1.952 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -4.611 -1.232 0.568 1.00 0.55 H new ATOM 0 HD2 PHE A 32 -3.010 -2.157 4.406 1.00 0.52 H new ATOM 0 HE1 PHE A 32 -2.568 -0.005 0.007 1.00 0.59 H new ATOM 0 HE2 PHE A 32 -0.958 -0.921 3.845 1.00 0.58 H new ATOM 0 HZ PHE A 32 -0.797 0.263 1.674 1.00 0.60 H new ATOM 478 N THR A 33 -7.606 -3.318 4.614 1.00 0.47 N ATOM 479 CA THR A 33 -8.798 -4.058 4.771 1.00 0.50 C ATOM 480 C THR A 33 -9.467 -3.853 6.112 1.00 0.60 C ATOM 481 O THR A 33 -10.559 -4.375 6.363 1.00 1.13 O ATOM 482 CB THR A 33 -8.588 -5.523 4.479 1.00 0.65 C ATOM 483 OG1 THR A 33 -7.574 -6.066 5.349 1.00 1.37 O ATOM 484 CG2 THR A 33 -8.187 -5.724 3.029 1.00 1.21 C ATOM 0 H THR A 33 -6.860 -3.521 5.279 1.00 0.47 H new ATOM 0 HA THR A 33 -9.489 -3.660 4.028 1.00 0.50 H new ATOM 0 HB THR A 33 -9.527 -6.047 4.659 1.00 0.65 H new ATOM 0 HG1 THR A 33 -7.851 -6.953 5.660 1.00 1.37 H new ATOM 0 HG21 THR A 33 -8.040 -6.787 2.836 1.00 1.21 H new ATOM 0 HG22 THR A 33 -8.974 -5.343 2.378 1.00 1.21 H new ATOM 0 HG23 THR A 33 -7.259 -5.187 2.830 1.00 1.21 H new ATOM 492 N ASP A 34 -8.846 -3.065 6.965 1.00 0.55 N ATOM 493 CA ASP A 34 -9.457 -2.755 8.243 1.00 0.60 C ATOM 494 C ASP A 34 -10.260 -1.512 8.135 1.00 0.58 C ATOM 495 O ASP A 34 -11.214 -1.317 8.866 1.00 0.75 O ATOM 496 CB ASP A 34 -8.444 -2.638 9.380 1.00 0.72 C ATOM 497 CG ASP A 34 -7.839 -3.957 9.765 1.00 1.46 C ATOM 498 OD1 ASP A 34 -8.426 -4.681 10.576 1.00 1.58 O ATOM 499 OD2 ASP A 34 -6.760 -4.312 9.246 1.00 2.31 O ATOM 0 H ASP A 34 -7.936 -2.634 6.803 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.107 -3.593 8.494 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -7.650 -1.953 9.083 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -8.932 -2.201 10.251 1.00 0.72 H new ATOM 504 N ASP A 35 -9.901 -0.672 7.198 1.00 0.48 N ATOM 505 CA ASP A 35 -10.637 0.551 7.004 1.00 0.50 C ATOM 506 C ASP A 35 -11.245 0.561 5.623 1.00 0.56 C ATOM 507 O ASP A 35 -12.451 0.725 5.474 1.00 0.86 O ATOM 508 CB ASP A 35 -9.759 1.792 7.188 1.00 0.47 C ATOM 509 CG ASP A 35 -10.596 3.060 7.321 1.00 0.99 C ATOM 510 OD1 ASP A 35 -11.161 3.528 6.325 1.00 1.67 O ATOM 511 OD2 ASP A 35 -10.706 3.600 8.446 1.00 1.47 O ATOM 0 H ASP A 35 -9.113 -0.809 6.564 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.419 0.588 7.762 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -9.139 1.671 8.076 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.083 1.889 6.338 1.00 0.47 H new ATOM 516 N LEU A 36 -10.417 0.319 4.608 1.00 0.44 N ATOM 517 CA LEU A 36 -10.882 0.373 3.233 1.00 0.49 C ATOM 518 C LEU A 36 -11.714 -0.858 2.894 1.00 0.53 C ATOM 519 O LEU A 36 -11.698 -1.864 3.621 1.00 0.64 O ATOM 520 CB LEU A 36 -9.716 0.541 2.246 1.00 0.51 C ATOM 521 CG LEU A 36 -8.820 1.772 2.448 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.704 1.801 1.419 1.00 0.65 C ATOM 523 CD2 LEU A 36 -9.631 3.052 2.394 1.00 0.69 C ATOM 0 H LEU A 36 -9.430 0.086 4.715 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.519 1.252 3.135 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -9.090 -0.350 2.302 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -10.126 0.579 1.237 1.00 0.51 H new ATOM 0 HG LEU A 36 -8.371 1.700 3.438 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -7.082 2.681 1.581 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -7.094 0.903 1.518 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -8.133 1.840 0.418 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.971 3.907 2.540 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -10.120 3.132 1.423 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -10.386 3.038 3.180 1.00 0.69 H new ATOM 535 N ASP A 37 -12.385 -0.804 1.767 1.00 0.63 N ATOM 536 CA ASP A 37 -13.340 -1.848 1.384 1.00 0.76 C ATOM 537 C ASP A 37 -12.662 -2.912 0.546 1.00 0.78 C ATOM 538 O ASP A 37 -13.326 -3.794 -0.004 1.00 1.33 O ATOM 539 CB ASP A 37 -14.533 -1.256 0.598 1.00 1.14 C ATOM 540 CG ASP A 37 -14.207 -0.891 -0.848 1.00 1.49 C ATOM 541 OD1 ASP A 37 -13.498 0.128 -1.069 1.00 2.15 O ATOM 542 OD2 ASP A 37 -14.623 -1.624 -1.771 1.00 1.96 O ATOM 0 H ASP A 37 -12.294 -0.048 1.088 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.716 -2.299 2.302 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -15.351 -1.976 0.604 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -14.889 -0.365 1.115 1.00 1.14 H new ATOM 547 N VAL A 38 -11.341 -2.848 0.499 1.00 0.65 N ATOM 548 CA VAL A 38 -10.514 -3.746 -0.303 1.00 0.96 C ATOM 549 C VAL A 38 -10.854 -5.210 -0.014 1.00 0.89 C ATOM 550 O VAL A 38 -10.935 -5.631 1.138 1.00 1.43 O ATOM 551 CB VAL A 38 -9.012 -3.504 -0.037 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.161 -4.385 -0.931 1.00 2.23 C ATOM 553 CG2 VAL A 38 -8.659 -2.050 -0.257 1.00 2.14 C ATOM 0 H VAL A 38 -10.801 -2.161 1.024 1.00 0.65 H new ATOM 0 HA VAL A 38 -10.726 -3.533 -1.351 1.00 0.96 H new ATOM 0 HB VAL A 38 -8.808 -3.760 1.003 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.106 -4.199 -0.728 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -8.389 -5.432 -0.733 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -8.375 -4.158 -1.975 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -7.597 -1.900 -0.064 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -8.884 -1.773 -1.287 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.242 -1.427 0.422 1.00 2.14 H new ATOM 563 N ASP A 39 -11.057 -5.959 -1.077 1.00 0.82 N ATOM 564 CA ASP A 39 -11.472 -7.383 -1.064 1.00 1.15 C ATOM 565 C ASP A 39 -10.335 -8.334 -0.553 1.00 1.18 C ATOM 566 O ASP A 39 -10.395 -9.547 -0.712 1.00 2.04 O ATOM 567 CB ASP A 39 -11.919 -7.728 -2.510 1.00 1.60 C ATOM 568 CG ASP A 39 -12.397 -9.143 -2.743 1.00 2.37 C ATOM 569 OD1 ASP A 39 -13.571 -9.453 -2.445 1.00 2.78 O ATOM 570 OD2 ASP A 39 -11.622 -9.952 -3.294 1.00 2.96 O ATOM 0 H ASP A 39 -10.938 -5.596 -2.023 1.00 0.82 H new ATOM 0 HA ASP A 39 -12.292 -7.533 -0.362 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -12.720 -7.045 -2.793 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -11.083 -7.534 -3.182 1.00 1.60 H new ATOM 575 N SER A 40 -9.335 -7.756 0.103 1.00 0.85 N ATOM 576 CA SER A 40 -8.188 -8.468 0.651 1.00 0.86 C ATOM 577 C SER A 40 -7.308 -9.153 -0.371 1.00 0.74 C ATOM 578 O SER A 40 -6.244 -8.648 -0.692 1.00 0.81 O ATOM 579 CB SER A 40 -8.566 -9.396 1.787 1.00 1.19 C ATOM 580 OG SER A 40 -8.616 -8.631 3.026 1.00 1.18 O ATOM 0 H SER A 40 -9.300 -6.751 0.273 1.00 0.85 H new ATOM 0 HA SER A 40 -7.564 -7.676 1.065 1.00 0.86 H new ATOM 0 HB2 SER A 40 -9.533 -9.858 1.590 1.00 1.19 H new ATOM 0 HB3 SER A 40 -7.839 -10.203 1.872 1.00 1.19 H new ATOM 585 N LEU A 41 -7.761 -10.258 -0.931 1.00 0.71 N ATOM 586 CA LEU A 41 -6.942 -11.028 -1.872 1.00 0.70 C ATOM 587 C LEU A 41 -6.616 -10.168 -3.100 1.00 0.65 C ATOM 588 O LEU A 41 -5.598 -10.328 -3.755 1.00 0.71 O ATOM 589 CB LEU A 41 -7.634 -12.328 -2.325 1.00 0.83 C ATOM 590 CG LEU A 41 -7.800 -13.457 -1.288 1.00 1.01 C ATOM 591 CD1 LEU A 41 -8.806 -13.108 -0.203 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.181 -14.748 -1.982 1.00 1.34 C ATOM 0 H LEU A 41 -8.687 -10.649 -0.757 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.026 -11.307 -1.351 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.625 -12.067 -2.697 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -7.072 -12.729 -3.169 1.00 0.83 H new ATOM 0 HG LEU A 41 -6.839 -13.587 -0.790 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -8.885 -13.937 0.501 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -8.476 -12.214 0.325 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -9.780 -12.923 -0.656 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -8.296 -15.539 -1.241 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.122 -14.611 -2.515 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -7.400 -15.025 -2.690 1.00 1.34 H new ATOM 604 N SER A 42 -7.482 -9.227 -3.341 1.00 0.65 N ATOM 605 CA SER A 42 -7.382 -8.301 -4.427 1.00 0.66 C ATOM 606 C SER A 42 -6.298 -7.208 -4.174 1.00 0.50 C ATOM 607 O SER A 42 -5.780 -6.607 -5.109 1.00 0.47 O ATOM 608 CB SER A 42 -8.757 -7.693 -4.610 1.00 0.84 C ATOM 609 OG SER A 42 -9.718 -8.730 -4.842 1.00 1.26 O ATOM 0 H SER A 42 -8.309 -9.080 -2.762 1.00 0.65 H new ATOM 0 HA SER A 42 -7.062 -8.816 -5.333 1.00 0.66 H new ATOM 0 HB2 SER A 42 -9.033 -7.120 -3.724 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.749 -6.998 -5.449 1.00 0.84 H new ATOM 0 HG SER A 42 -10.515 -8.348 -5.265 1.00 1.26 H new ATOM 615 N MET A 43 -5.920 -7.000 -2.913 1.00 0.45 N ATOM 616 CA MET A 43 -4.914 -5.978 -2.555 1.00 0.35 C ATOM 617 C MET A 43 -3.546 -6.491 -2.955 1.00 0.30 C ATOM 618 O MET A 43 -2.620 -5.739 -3.179 1.00 0.27 O ATOM 619 CB MET A 43 -4.980 -5.662 -1.052 1.00 0.39 C ATOM 620 CG MET A 43 -4.327 -4.344 -0.572 1.00 0.47 C ATOM 621 SD MET A 43 -2.523 -4.268 -0.680 1.00 0.97 S ATOM 622 CE MET A 43 -2.073 -5.687 0.307 1.00 0.54 C ATOM 0 H MET A 43 -6.290 -7.520 -2.117 1.00 0.45 H new ATOM 0 HA MET A 43 -5.116 -5.048 -3.087 1.00 0.35 H new ATOM 0 HB2 MET A 43 -6.029 -5.645 -0.757 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.511 -6.486 -0.514 1.00 0.39 H new ATOM 0 HG2 MET A 43 -4.741 -3.523 -1.157 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.617 -4.175 0.465 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.015 -5.632 0.562 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.666 -5.697 1.221 1.00 0.54 H new ATOM 0 HE3 MET A 43 -2.263 -6.599 -0.259 1.00 0.54 H new ATOM 632 N VAL A 44 -3.446 -7.782 -3.089 1.00 0.36 N ATOM 633 CA VAL A 44 -2.211 -8.418 -3.506 1.00 0.39 C ATOM 634 C VAL A 44 -1.815 -7.919 -4.927 1.00 0.37 C ATOM 635 O VAL A 44 -0.626 -7.811 -5.262 1.00 0.42 O ATOM 636 CB VAL A 44 -2.339 -9.965 -3.449 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.022 -10.655 -3.749 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.860 -10.389 -2.084 1.00 0.57 C ATOM 0 H VAL A 44 -4.213 -8.431 -2.914 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.414 -8.140 -2.816 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.047 -10.270 -4.220 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.157 -11.735 -3.698 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.685 -10.378 -4.748 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.275 -10.348 -3.017 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.948 -11.475 -2.049 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.168 -10.056 -1.311 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.838 -9.940 -1.912 1.00 0.57 H new ATOM 648 N GLU A 45 -2.826 -7.520 -5.711 1.00 0.37 N ATOM 649 CA GLU A 45 -2.604 -6.938 -7.028 1.00 0.38 C ATOM 650 C GLU A 45 -2.215 -5.464 -6.922 1.00 0.31 C ATOM 651 O GLU A 45 -1.680 -4.882 -7.862 1.00 0.37 O ATOM 652 CB GLU A 45 -3.805 -7.128 -7.947 1.00 0.46 C ATOM 653 CG GLU A 45 -4.042 -8.575 -8.302 1.00 0.64 C ATOM 654 CD GLU A 45 -5.120 -8.769 -9.331 1.00 1.21 C ATOM 655 OE1 GLU A 45 -4.863 -8.513 -10.525 1.00 1.31 O ATOM 656 OE2 GLU A 45 -6.232 -9.191 -8.978 1.00 2.06 O ATOM 0 H GLU A 45 -3.809 -7.593 -5.448 1.00 0.37 H new ATOM 0 HA GLU A 45 -1.769 -7.474 -7.479 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.695 -6.726 -7.463 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.653 -6.554 -8.861 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -3.113 -9.007 -8.674 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -4.309 -9.124 -7.399 1.00 0.64 H new ATOM 663 N VAL A 46 -2.501 -4.875 -5.784 1.00 0.30 N ATOM 664 CA VAL A 46 -2.125 -3.504 -5.501 1.00 0.30 C ATOM 665 C VAL A 46 -0.654 -3.483 -5.152 1.00 0.29 C ATOM 666 O VAL A 46 0.129 -2.815 -5.799 1.00 0.39 O ATOM 667 CB VAL A 46 -2.916 -2.925 -4.292 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.472 -1.498 -3.985 1.00 0.91 C ATOM 669 CG2 VAL A 46 -4.408 -2.967 -4.543 1.00 1.43 C ATOM 0 H VAL A 46 -3.003 -5.333 -5.023 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.347 -2.898 -6.380 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.698 -3.550 -3.426 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.039 -1.115 -3.136 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -1.409 -1.492 -3.744 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.650 -0.866 -4.855 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -4.934 -2.556 -3.681 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -4.645 -2.376 -5.428 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -4.721 -3.999 -4.701 1.00 1.43 H new ATOM 679 N VAL A 47 -0.294 -4.236 -4.124 1.00 0.28 N ATOM 680 CA VAL A 47 1.082 -4.262 -3.628 1.00 0.33 C ATOM 681 C VAL A 47 2.124 -4.672 -4.710 1.00 0.31 C ATOM 682 O VAL A 47 3.224 -4.116 -4.749 1.00 0.35 O ATOM 683 CB VAL A 47 1.235 -5.098 -2.320 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.869 -6.559 -2.526 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.638 -4.951 -1.741 1.00 0.53 C ATOM 0 H VAL A 47 -0.936 -4.841 -3.612 1.00 0.28 H new ATOM 0 HA VAL A 47 1.311 -3.228 -3.370 1.00 0.33 H new ATOM 0 HB VAL A 47 0.526 -4.697 -1.595 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.991 -7.100 -1.588 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.168 -6.632 -2.854 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.521 -6.994 -3.284 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.719 -5.543 -0.830 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.370 -5.302 -2.468 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.829 -3.903 -1.511 1.00 0.53 H new ATOM 695 N VAL A 48 1.754 -5.571 -5.628 1.00 0.29 N ATOM 696 CA VAL A 48 2.676 -5.952 -6.707 1.00 0.31 C ATOM 697 C VAL A 48 2.920 -4.750 -7.649 1.00 0.29 C ATOM 698 O VAL A 48 4.014 -4.564 -8.186 1.00 0.35 O ATOM 699 CB VAL A 48 2.194 -7.211 -7.514 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.888 -6.962 -8.251 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.270 -7.708 -8.474 1.00 0.65 C ATOM 0 H VAL A 48 0.848 -6.039 -5.649 1.00 0.29 H new ATOM 0 HA VAL A 48 3.617 -6.237 -6.236 1.00 0.31 H new ATOM 0 HB VAL A 48 2.007 -7.994 -6.779 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.599 -7.862 -8.793 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.109 -6.704 -7.534 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.019 -6.141 -8.956 1.00 0.61 H new ATOM 0 HG21 VAL A 48 2.901 -8.580 -9.015 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.517 -6.919 -9.184 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.162 -7.982 -7.911 1.00 0.65 H new ATOM 711 N ALA A 49 1.914 -3.905 -7.778 1.00 0.28 N ATOM 712 CA ALA A 49 2.015 -2.720 -8.595 1.00 0.28 C ATOM 713 C ALA A 49 2.695 -1.618 -7.797 1.00 0.27 C ATOM 714 O ALA A 49 3.317 -0.732 -8.346 1.00 0.32 O ATOM 715 CB ALA A 49 0.633 -2.275 -9.062 1.00 0.32 C ATOM 0 H ALA A 49 1.010 -4.024 -7.320 1.00 0.28 H new ATOM 0 HA ALA A 49 2.612 -2.940 -9.480 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.727 -1.380 -9.677 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.173 -3.071 -9.648 1.00 0.32 H new ATOM 0 HB3 ALA A 49 0.009 -2.056 -8.195 1.00 0.32 H new ATOM 721 N ALA A 50 2.592 -1.713 -6.487 1.00 0.27 N ATOM 722 CA ALA A 50 3.178 -0.751 -5.588 1.00 0.30 C ATOM 723 C ALA A 50 4.690 -0.821 -5.612 1.00 0.29 C ATOM 724 O ALA A 50 5.351 0.221 -5.576 1.00 0.32 O ATOM 725 CB ALA A 50 2.640 -0.915 -4.174 1.00 0.36 C ATOM 0 H ALA A 50 2.094 -2.468 -6.016 1.00 0.27 H new ATOM 0 HA ALA A 50 2.890 0.240 -5.937 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.102 -0.175 -3.521 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.559 -0.772 -4.177 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.873 -1.916 -3.810 1.00 0.36 H new ATOM 731 N GLU A 51 5.238 -2.038 -5.714 1.00 0.32 N ATOM 732 CA GLU A 51 6.690 -2.226 -5.770 1.00 0.39 C ATOM 733 C GLU A 51 7.298 -1.379 -6.866 1.00 0.39 C ATOM 734 O GLU A 51 8.181 -0.581 -6.629 1.00 0.47 O ATOM 735 CB GLU A 51 7.063 -3.656 -6.058 1.00 0.49 C ATOM 736 CG GLU A 51 6.573 -4.680 -5.088 1.00 0.36 C ATOM 737 CD GLU A 51 7.173 -6.002 -5.424 1.00 0.44 C ATOM 738 OE1 GLU A 51 6.602 -6.721 -6.253 1.00 0.70 O ATOM 739 OE2 GLU A 51 8.173 -6.390 -4.804 1.00 0.78 O ATOM 0 H GLU A 51 4.699 -2.903 -5.759 1.00 0.32 H new ATOM 0 HA GLU A 51 7.071 -1.934 -4.791 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.685 -3.915 -7.047 1.00 0.49 H new ATOM 0 HB3 GLU A 51 8.150 -3.722 -6.104 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.842 -4.393 -4.071 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.485 -4.741 -5.124 1.00 0.36 H new ATOM 746 N GLU A 52 6.780 -1.538 -8.054 1.00 0.36 N ATOM 747 CA GLU A 52 7.264 -0.817 -9.213 1.00 0.41 C ATOM 748 C GLU A 52 6.860 0.655 -9.173 1.00 0.38 C ATOM 749 O GLU A 52 7.595 1.520 -9.634 1.00 0.47 O ATOM 750 CB GLU A 52 6.758 -1.477 -10.490 1.00 0.49 C ATOM 751 CG GLU A 52 5.275 -1.795 -10.456 1.00 0.53 C ATOM 752 CD GLU A 52 4.747 -2.241 -11.776 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.978 -3.412 -12.156 1.00 0.96 O ATOM 754 OE2 GLU A 52 4.083 -1.448 -12.458 1.00 0.94 O ATOM 0 H GLU A 52 6.007 -2.173 -8.252 1.00 0.36 H new ATOM 0 HA GLU A 52 8.353 -0.856 -9.200 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.962 -0.820 -11.335 1.00 0.49 H new ATOM 0 HB3 GLU A 52 7.316 -2.398 -10.660 1.00 0.49 H new ATOM 0 HG2 GLU A 52 5.092 -2.574 -9.715 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.726 -0.911 -10.131 1.00 0.53 H new ATOM 761 N ARG A 53 5.709 0.928 -8.587 1.00 0.32 N ATOM 762 CA ARG A 53 5.151 2.274 -8.532 1.00 0.36 C ATOM 763 C ARG A 53 6.021 3.172 -7.669 1.00 0.35 C ATOM 764 O ARG A 53 6.250 4.328 -7.990 1.00 0.48 O ATOM 765 CB ARG A 53 3.753 2.228 -7.928 1.00 0.46 C ATOM 766 CG ARG A 53 2.847 3.365 -8.334 1.00 1.11 C ATOM 767 CD ARG A 53 2.549 3.277 -9.816 1.00 1.21 C ATOM 768 NE ARG A 53 1.480 4.182 -10.222 1.00 2.17 N ATOM 769 CZ ARG A 53 0.459 3.831 -11.011 1.00 2.78 C ATOM 770 NH1 ARG A 53 0.373 2.589 -11.494 1.00 2.79 N ATOM 771 NH2 ARG A 53 -0.462 4.721 -11.315 1.00 3.85 N ATOM 0 H ARG A 53 5.130 0.222 -8.133 1.00 0.32 H new ATOM 0 HA ARG A 53 5.110 2.670 -9.546 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.281 1.287 -8.212 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.842 2.224 -6.842 1.00 0.46 H new ATOM 0 HG2 ARG A 53 1.919 3.324 -7.764 1.00 1.11 H new ATOM 0 HG3 ARG A 53 3.321 4.320 -8.105 1.00 1.11 H new ATOM 0 HD2 ARG A 53 3.452 3.510 -10.380 1.00 1.21 H new ATOM 0 HD3 ARG A 53 2.271 2.254 -10.068 1.00 1.21 H new ATOM 0 HE ARG A 53 1.513 5.143 -9.883 1.00 2.17 H new ATOM 0 HH11 ARG A 53 1.089 1.901 -11.262 1.00 2.79 H new ATOM 0 HH12 ARG A 53 -0.409 2.329 -12.095 1.00 2.79 H new ATOM 0 HH21 ARG A 53 -0.394 5.671 -10.949 1.00 3.85 H new ATOM 0 HH22 ARG A 53 -1.244 4.461 -11.916 1.00 3.85 H new ATOM 785 N PHE A 54 6.499 2.634 -6.571 1.00 0.29 N ATOM 786 CA PHE A 54 7.298 3.413 -5.646 1.00 0.30 C ATOM 787 C PHE A 54 8.763 3.060 -5.766 1.00 0.33 C ATOM 788 O PHE A 54 9.601 3.594 -5.029 1.00 0.40 O ATOM 789 CB PHE A 54 6.809 3.201 -4.222 1.00 0.31 C ATOM 790 CG PHE A 54 5.356 3.475 -4.085 1.00 0.30 C ATOM 791 CD1 PHE A 54 4.850 4.717 -4.407 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.489 2.486 -3.678 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.515 4.969 -4.316 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.147 2.731 -3.591 1.00 0.38 C ATOM 795 CZ PHE A 54 2.661 3.971 -3.910 1.00 0.37 C ATOM 0 H PHE A 54 6.351 1.663 -6.295 1.00 0.29 H new ATOM 0 HA PHE A 54 7.187 4.467 -5.900 1.00 0.30 H new ATOM 0 HB2 PHE A 54 7.014 2.175 -3.917 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.366 3.851 -3.547 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.520 5.498 -4.735 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.872 1.508 -3.425 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.129 5.947 -4.561 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.473 1.950 -3.272 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.601 4.166 -3.842 1.00 0.37 H new ATOM 805 N ASP A 55 9.044 2.140 -6.696 1.00 0.36 N ATOM 806 CA ASP A 55 10.401 1.662 -7.031 1.00 0.44 C ATOM 807 C ASP A 55 11.069 1.005 -5.801 1.00 0.46 C ATOM 808 O ASP A 55 12.282 1.014 -5.626 1.00 0.77 O ATOM 809 CB ASP A 55 11.231 2.824 -7.608 1.00 0.53 C ATOM 810 CG ASP A 55 12.572 2.387 -8.204 1.00 1.14 C ATOM 811 OD1 ASP A 55 12.571 1.689 -9.253 1.00 1.23 O ATOM 812 OD2 ASP A 55 13.637 2.774 -7.686 1.00 1.95 O ATOM 0 H ASP A 55 8.318 1.692 -7.255 1.00 0.36 H new ATOM 0 HA ASP A 55 10.339 0.889 -7.797 1.00 0.44 H new ATOM 0 HB2 ASP A 55 10.648 3.327 -8.379 1.00 0.53 H new ATOM 0 HB3 ASP A 55 11.415 3.554 -6.820 1.00 0.53 H new ATOM 817 N VAL A 56 10.251 0.362 -5.005 1.00 0.35 N ATOM 818 CA VAL A 56 10.675 -0.290 -3.787 1.00 0.40 C ATOM 819 C VAL A 56 9.972 -1.645 -3.668 1.00 0.52 C ATOM 820 O VAL A 56 8.755 -1.730 -3.503 1.00 1.14 O ATOM 821 CB VAL A 56 10.420 0.622 -2.537 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.975 1.086 -2.431 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.857 -0.057 -1.247 1.00 1.37 C ATOM 0 H VAL A 56 9.251 0.274 -5.188 1.00 0.35 H new ATOM 0 HA VAL A 56 11.750 -0.464 -3.825 1.00 0.40 H new ATOM 0 HB VAL A 56 11.034 1.510 -2.685 1.00 0.55 H new ATOM 0 HG11 VAL A 56 8.858 1.713 -1.547 1.00 1.00 H new ATOM 0 HG12 VAL A 56 8.711 1.658 -3.320 1.00 1.00 H new ATOM 0 HG13 VAL A 56 8.319 0.219 -2.350 1.00 1.00 H new ATOM 0 HG21 VAL A 56 10.664 0.606 -0.404 1.00 1.37 H new ATOM 0 HG22 VAL A 56 10.297 -0.983 -1.116 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.923 -0.281 -1.297 1.00 1.37 H new ATOM 833 N LYS A 57 10.736 -2.687 -3.843 1.00 0.41 N ATOM 834 CA LYS A 57 10.210 -4.033 -3.823 1.00 0.40 C ATOM 835 C LYS A 57 9.861 -4.502 -2.432 1.00 0.45 C ATOM 836 O LYS A 57 10.560 -4.195 -1.442 1.00 0.67 O ATOM 837 CB LYS A 57 11.116 -5.031 -4.538 1.00 0.57 C ATOM 838 CG LYS A 57 11.161 -4.829 -6.043 1.00 1.30 C ATOM 839 CD LYS A 57 11.884 -5.966 -6.756 1.00 1.77 C ATOM 840 CE LYS A 57 11.210 -7.326 -6.514 1.00 2.45 C ATOM 841 NZ LYS A 57 9.776 -7.343 -6.906 1.00 3.34 N ATOM 0 H LYS A 57 11.742 -2.632 -4.004 1.00 0.41 H new ATOM 0 HA LYS A 57 9.278 -3.990 -4.387 1.00 0.40 H new ATOM 0 HB2 LYS A 57 12.126 -4.947 -4.137 1.00 0.57 H new ATOM 0 HB3 LYS A 57 10.771 -6.043 -4.324 1.00 0.57 H new ATOM 0 HG2 LYS A 57 10.144 -4.750 -6.428 1.00 1.30 H new ATOM 0 HG3 LYS A 57 11.661 -3.886 -6.266 1.00 1.30 H new ATOM 0 HD2 LYS A 57 11.912 -5.762 -7.826 1.00 1.77 H new ATOM 0 HD3 LYS A 57 12.918 -6.009 -6.413 1.00 1.77 H new ATOM 0 HE2 LYS A 57 11.743 -8.094 -7.074 1.00 2.45 H new ATOM 0 HE3 LYS A 57 11.295 -7.585 -5.459 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 9.536 -8.273 -7.304 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 9.185 -7.162 -6.070 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 9.602 -6.606 -7.619 1.00 3.34 H new ATOM 855 N ILE A 58 8.794 -5.252 -2.363 1.00 0.36 N ATOM 856 CA ILE A 58 8.228 -5.711 -1.128 1.00 0.42 C ATOM 857 C ILE A 58 7.943 -7.214 -1.252 1.00 0.46 C ATOM 858 O ILE A 58 6.971 -7.605 -1.909 1.00 0.52 O ATOM 859 CB ILE A 58 6.883 -4.968 -0.831 1.00 0.47 C ATOM 860 CG1 ILE A 58 7.049 -3.446 -1.013 1.00 0.48 C ATOM 861 CG2 ILE A 58 6.417 -5.274 0.593 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.766 -2.659 -0.921 1.00 0.57 C ATOM 0 H ILE A 58 8.283 -5.568 -3.187 1.00 0.36 H new ATOM 0 HA ILE A 58 8.929 -5.512 -0.317 1.00 0.42 H new ATOM 0 HB ILE A 58 6.132 -5.322 -1.538 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.742 -3.076 -0.257 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.507 -3.257 -1.984 1.00 0.48 H new ATOM 0 HG21 ILE A 58 5.480 -4.752 0.789 1.00 0.55 H new ATOM 0 HG22 ILE A 58 6.264 -6.348 0.703 1.00 0.55 H new ATOM 0 HG23 ILE A 58 7.174 -4.941 1.303 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.978 -1.599 -1.061 1.00 0.57 H new ATOM 0 HD12 ILE A 58 5.076 -2.996 -1.695 1.00 0.57 H new ATOM 0 HD13 ILE A 58 5.315 -2.812 0.059 1.00 0.57 H new ATOM 874 N PRO A 59 8.827 -8.072 -0.697 1.00 0.47 N ATOM 875 CA PRO A 59 8.651 -9.531 -0.717 1.00 0.53 C ATOM 876 C PRO A 59 7.332 -9.947 -0.081 1.00 0.53 C ATOM 877 O PRO A 59 6.960 -9.429 0.984 1.00 0.46 O ATOM 878 CB PRO A 59 9.829 -10.045 0.115 1.00 0.59 C ATOM 879 CG PRO A 59 10.850 -8.978 -0.001 1.00 0.63 C ATOM 880 CD PRO A 59 10.080 -7.692 -0.037 1.00 0.50 C ATOM 0 HA PRO A 59 8.627 -9.930 -1.731 1.00 0.53 H new ATOM 0 HB2 PRO A 59 9.541 -10.209 1.153 1.00 0.59 H new ATOM 0 HB3 PRO A 59 10.201 -10.996 -0.267 1.00 0.59 H new ATOM 0 HG2 PRO A 59 11.539 -9.000 0.844 1.00 0.63 H new ATOM 0 HG3 PRO A 59 11.448 -9.103 -0.904 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.905 -7.299 0.965 1.00 0.50 H new ATOM 0 HD3 PRO A 59 10.611 -6.920 -0.594 1.00 0.50 H new ATOM 888 N ASP A 60 6.663 -10.896 -0.725 1.00 0.68 N ATOM 889 CA ASP A 60 5.319 -11.399 -0.359 1.00 0.77 C ATOM 890 C ASP A 60 5.198 -11.724 1.121 1.00 0.70 C ATOM 891 O ASP A 60 4.188 -11.392 1.763 1.00 0.69 O ATOM 892 CB ASP A 60 4.954 -12.637 -1.197 1.00 1.08 C ATOM 893 CG ASP A 60 4.745 -12.336 -2.672 1.00 1.50 C ATOM 894 OD1 ASP A 60 5.713 -11.952 -3.368 1.00 1.84 O ATOM 895 OD2 ASP A 60 3.616 -12.523 -3.179 1.00 2.30 O ATOM 0 H ASP A 60 7.045 -11.362 -1.548 1.00 0.68 H new ATOM 0 HA ASP A 60 4.618 -10.593 -0.575 1.00 0.77 H new ATOM 0 HB2 ASP A 60 5.745 -13.380 -1.095 1.00 1.08 H new ATOM 0 HB3 ASP A 60 4.045 -13.083 -0.794 1.00 1.08 H new ATOM 900 N ASP A 61 6.233 -12.338 1.662 1.00 0.75 N ATOM 901 CA ASP A 61 6.294 -12.683 3.084 1.00 0.85 C ATOM 902 C ASP A 61 6.182 -11.455 3.966 1.00 0.71 C ATOM 903 O ASP A 61 5.421 -11.441 4.935 1.00 0.79 O ATOM 904 CB ASP A 61 7.596 -13.426 3.411 1.00 1.13 C ATOM 905 CG ASP A 61 7.834 -13.581 4.905 1.00 1.80 C ATOM 906 OD1 ASP A 61 7.265 -14.508 5.523 1.00 2.31 O ATOM 907 OD2 ASP A 61 8.611 -12.769 5.489 1.00 2.38 O ATOM 0 H ASP A 61 7.060 -12.615 1.134 1.00 0.75 H new ATOM 0 HA ASP A 61 5.444 -13.334 3.288 1.00 0.85 H new ATOM 0 HB2 ASP A 61 7.570 -14.413 2.949 1.00 1.13 H new ATOM 0 HB3 ASP A 61 8.435 -12.889 2.969 1.00 1.13 H new ATOM 912 N ASP A 62 6.888 -10.408 3.603 1.00 0.60 N ATOM 913 CA ASP A 62 6.950 -9.231 4.445 1.00 0.62 C ATOM 914 C ASP A 62 5.790 -8.287 4.172 1.00 0.51 C ATOM 915 O ASP A 62 5.471 -7.431 5.003 1.00 0.61 O ATOM 916 CB ASP A 62 8.295 -8.515 4.343 1.00 0.74 C ATOM 917 CG ASP A 62 8.564 -7.698 5.584 1.00 0.82 C ATOM 918 OD1 ASP A 62 8.565 -8.234 6.713 1.00 1.17 O ATOM 919 OD2 ASP A 62 8.735 -6.469 5.451 1.00 1.52 O ATOM 0 H ASP A 62 7.424 -10.345 2.738 1.00 0.60 H new ATOM 0 HA ASP A 62 6.857 -9.576 5.475 1.00 0.62 H new ATOM 0 HB2 ASP A 62 9.091 -9.246 4.204 1.00 0.74 H new ATOM 0 HB3 ASP A 62 8.301 -7.866 3.467 1.00 0.74 H new ATOM 924 N VAL A 63 5.166 -8.444 2.994 1.00 0.43 N ATOM 925 CA VAL A 63 3.957 -7.690 2.620 1.00 0.46 C ATOM 926 C VAL A 63 2.915 -7.871 3.698 1.00 0.46 C ATOM 927 O VAL A 63 2.496 -6.928 4.326 1.00 0.55 O ATOM 928 CB VAL A 63 3.334 -8.209 1.277 1.00 0.53 C ATOM 929 CG1 VAL A 63 2.015 -7.503 0.974 1.00 0.79 C ATOM 930 CG2 VAL A 63 4.280 -8.013 0.121 1.00 0.73 C ATOM 0 H VAL A 63 5.483 -9.095 2.275 1.00 0.43 H new ATOM 0 HA VAL A 63 4.246 -6.646 2.499 1.00 0.46 H new ATOM 0 HB VAL A 63 3.148 -9.276 1.404 1.00 0.53 H new ATOM 0 HG11 VAL A 63 1.606 -7.882 0.038 1.00 0.79 H new ATOM 0 HG12 VAL A 63 1.308 -7.691 1.782 1.00 0.79 H new ATOM 0 HG13 VAL A 63 2.188 -6.430 0.886 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.818 -8.383 -0.794 1.00 0.73 H new ATOM 0 HG22 VAL A 63 4.505 -6.952 0.011 1.00 0.73 H new ATOM 0 HG23 VAL A 63 5.203 -8.562 0.309 1.00 0.73 H new ATOM 940 N LYS A 64 2.587 -9.121 3.956 1.00 0.46 N ATOM 941 CA LYS A 64 1.506 -9.495 4.860 1.00 0.55 C ATOM 942 C LYS A 64 1.846 -9.246 6.320 1.00 0.54 C ATOM 943 O LYS A 64 1.023 -9.467 7.212 1.00 0.63 O ATOM 944 CB LYS A 64 1.074 -10.929 4.593 1.00 0.68 C ATOM 945 CG LYS A 64 0.477 -11.106 3.200 1.00 0.77 C ATOM 946 CD LYS A 64 0.215 -12.561 2.856 1.00 0.99 C ATOM 947 CE LYS A 64 1.509 -13.354 2.841 1.00 1.17 C ATOM 948 NZ LYS A 64 1.323 -14.727 2.337 1.00 1.24 N ATOM 0 H LYS A 64 3.067 -9.920 3.541 1.00 0.46 H new ATOM 0 HA LYS A 64 0.657 -8.844 4.654 1.00 0.55 H new ATOM 0 HB2 LYS A 64 1.933 -11.591 4.704 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.340 -11.230 5.341 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.457 -10.548 3.136 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.155 -10.679 2.461 1.00 0.77 H new ATOM 0 HD2 LYS A 64 -0.473 -12.993 3.583 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.268 -12.627 1.881 1.00 0.99 H new ATOM 0 HE2 LYS A 64 2.241 -12.838 2.219 1.00 1.17 H new ATOM 0 HE3 LYS A 64 1.919 -13.393 3.850 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 2.235 -15.227 2.347 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 0.646 -15.231 2.944 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 0.957 -14.693 1.364 1.00 1.24 H new ATOM 962 N ASN A 65 3.053 -8.781 6.555 1.00 0.50 N ATOM 963 CA ASN A 65 3.488 -8.400 7.879 1.00 0.56 C ATOM 964 C ASN A 65 3.025 -6.985 8.178 1.00 0.52 C ATOM 965 O ASN A 65 3.049 -6.547 9.326 1.00 0.65 O ATOM 966 CB ASN A 65 5.018 -8.479 8.027 1.00 0.64 C ATOM 967 CG ASN A 65 5.565 -9.890 8.100 1.00 1.32 C ATOM 968 OD1 ASN A 65 4.896 -10.810 8.558 1.00 1.95 O ATOM 969 ND2 ASN A 65 6.794 -10.072 7.693 1.00 2.07 N ATOM 0 H ASN A 65 3.761 -8.656 5.832 1.00 0.50 H new ATOM 0 HA ASN A 65 3.047 -9.101 8.588 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.480 -7.966 7.184 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.313 -7.941 8.928 1.00 0.64 H new ATOM 0 HD21 ASN A 65 7.219 -10.997 7.752 1.00 2.07 H new ATOM 0 HD22 ASN A 65 7.328 -9.289 7.316 1.00 2.07 H new ATOM 976 N LEU A 66 2.604 -6.269 7.138 1.00 0.43 N ATOM 977 CA LEU A 66 2.131 -4.907 7.278 1.00 0.43 C ATOM 978 C LEU A 66 0.640 -4.925 7.589 1.00 0.43 C ATOM 979 O LEU A 66 0.028 -6.000 7.624 1.00 0.47 O ATOM 980 CB LEU A 66 2.409 -4.125 5.993 1.00 0.44 C ATOM 981 CG LEU A 66 3.882 -4.000 5.590 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.997 -3.410 4.207 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.635 -3.138 6.585 1.00 0.60 C ATOM 0 H LEU A 66 2.584 -6.621 6.181 1.00 0.43 H new ATOM 0 HA LEU A 66 2.657 -4.415 8.096 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.868 -4.603 5.176 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.997 -3.122 6.105 1.00 0.44 H new ATOM 0 HG LEU A 66 4.323 -4.997 5.588 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.049 -3.327 3.933 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.486 -4.055 3.492 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.539 -2.421 4.194 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.679 -3.061 6.282 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.191 -2.143 6.614 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.577 -3.590 7.575 1.00 0.60 H new ATOM 995 N LYS A 67 0.049 -3.774 7.808 1.00 0.45 N ATOM 996 CA LYS A 67 -1.364 -3.728 8.154 1.00 0.50 C ATOM 997 C LYS A 67 -2.079 -2.452 7.669 1.00 0.43 C ATOM 998 O LYS A 67 -2.885 -2.501 6.734 1.00 0.52 O ATOM 999 CB LYS A 67 -1.542 -3.991 9.666 1.00 0.64 C ATOM 1000 CG LYS A 67 -0.658 -3.130 10.565 1.00 0.85 C ATOM 1001 CD LYS A 67 -0.688 -3.605 12.012 1.00 0.88 C ATOM 1002 CE LYS A 67 -0.099 -5.007 12.152 1.00 1.86 C ATOM 1003 NZ LYS A 67 -0.111 -5.479 13.552 1.00 2.69 N ATOM 0 H LYS A 67 0.511 -2.866 7.756 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.865 -4.528 7.609 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -2.585 -3.820 9.932 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.330 -5.041 9.867 1.00 0.64 H new ATOM 0 HG2 LYS A 67 0.367 -3.154 10.196 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -0.991 -2.093 10.516 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -0.127 -2.909 12.636 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -1.715 -3.603 12.376 1.00 0.88 H new ATOM 0 HE2 LYS A 67 -0.666 -5.701 11.531 1.00 1.86 H new ATOM 0 HE3 LYS A 67 0.925 -5.008 11.778 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 0.298 -6.434 13.600 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 0.451 -4.832 14.141 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -1.090 -5.504 13.902 1.00 2.69 H new ATOM 1017 N THR A 68 -1.785 -1.319 8.268 1.00 0.37 N ATOM 1018 CA THR A 68 -2.439 -0.097 7.886 1.00 0.35 C ATOM 1019 C THR A 68 -1.661 0.562 6.764 1.00 0.32 C ATOM 1020 O THR A 68 -0.620 0.048 6.350 1.00 0.33 O ATOM 1021 CB THR A 68 -2.545 0.877 9.083 1.00 0.38 C ATOM 1022 OG1 THR A 68 -1.230 1.226 9.537 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.303 0.240 10.233 1.00 0.46 C ATOM 0 H THR A 68 -1.100 -1.223 9.018 1.00 0.37 H new ATOM 0 HA THR A 68 -3.448 -0.337 7.550 1.00 0.35 H new ATOM 0 HB THR A 68 -3.081 1.766 8.751 1.00 0.38 H new ATOM 0 HG1 THR A 68 -1.299 1.844 10.294 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.364 0.944 11.063 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.309 -0.023 9.905 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.781 -0.660 10.559 1.00 0.46 H new ATOM 1031 N VAL A 69 -2.104 1.713 6.302 1.00 0.33 N ATOM 1032 CA VAL A 69 -1.342 2.415 5.293 1.00 0.33 C ATOM 1033 C VAL A 69 -0.251 3.226 5.972 1.00 0.34 C ATOM 1034 O VAL A 69 0.698 3.677 5.339 1.00 0.36 O ATOM 1035 CB VAL A 69 -2.196 3.307 4.346 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -3.247 2.487 3.617 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.846 4.438 5.099 1.00 0.56 C ATOM 0 H VAL A 69 -2.965 2.172 6.600 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.907 1.658 4.640 1.00 0.33 H new ATOM 0 HB VAL A 69 -1.519 3.733 3.606 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.827 3.138 2.963 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.758 1.716 3.021 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.910 2.017 4.343 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -3.435 5.043 4.410 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -3.497 4.033 5.874 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -2.077 5.058 5.559 1.00 0.56 H new ATOM 1047 N GLY A 70 -0.385 3.361 7.288 1.00 0.36 N ATOM 1048 CA GLY A 70 0.614 4.022 8.085 1.00 0.38 C ATOM 1049 C GLY A 70 1.717 3.060 8.430 1.00 0.39 C ATOM 1050 O GLY A 70 2.862 3.442 8.600 1.00 0.46 O ATOM 0 H GLY A 70 -1.185 3.015 7.817 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.021 4.874 7.540 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.163 4.413 8.997 1.00 0.38 H new ATOM 1054 N ASP A 71 1.364 1.794 8.531 1.00 0.42 N ATOM 1055 CA ASP A 71 2.348 0.759 8.788 1.00 0.50 C ATOM 1056 C ASP A 71 3.020 0.338 7.493 1.00 0.49 C ATOM 1057 O ASP A 71 4.212 0.075 7.460 1.00 0.58 O ATOM 1058 CB ASP A 71 1.714 -0.447 9.478 1.00 0.62 C ATOM 1059 CG ASP A 71 2.717 -1.545 9.769 1.00 0.82 C ATOM 1060 OD1 ASP A 71 3.620 -1.330 10.570 1.00 1.00 O ATOM 1061 OD2 ASP A 71 2.633 -2.630 9.146 1.00 1.62 O ATOM 0 H ASP A 71 0.406 1.457 8.439 1.00 0.42 H new ATOM 0 HA ASP A 71 3.103 1.169 9.459 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.252 -0.126 10.411 1.00 0.62 H new ATOM 0 HB3 ASP A 71 0.918 -0.844 8.848 1.00 0.62 H new ATOM 1066 N ALA A 72 2.256 0.344 6.410 1.00 0.43 N ATOM 1067 CA ALA A 72 2.765 -0.044 5.099 1.00 0.48 C ATOM 1068 C ALA A 72 3.831 0.920 4.620 1.00 0.44 C ATOM 1069 O ALA A 72 4.788 0.533 3.943 1.00 0.47 O ATOM 1070 CB ALA A 72 1.640 -0.124 4.087 1.00 0.51 C ATOM 0 H ALA A 72 1.273 0.616 6.413 1.00 0.43 H new ATOM 0 HA ALA A 72 3.216 -1.032 5.198 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.043 -0.415 3.117 1.00 0.51 H new ATOM 0 HB2 ALA A 72 0.909 -0.864 4.413 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.157 0.850 4.002 1.00 0.51 H new ATOM 1076 N THR A 73 3.683 2.168 4.998 1.00 0.40 N ATOM 1077 CA THR A 73 4.602 3.173 4.620 1.00 0.39 C ATOM 1078 C THR A 73 5.933 3.058 5.357 1.00 0.39 C ATOM 1079 O THR A 73 6.944 3.504 4.851 1.00 0.41 O ATOM 1080 CB THR A 73 3.998 4.569 4.770 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.183 4.601 5.936 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.177 4.947 3.557 1.00 0.46 C ATOM 0 H THR A 73 2.913 2.499 5.579 1.00 0.40 H new ATOM 0 HA THR A 73 4.818 3.015 3.563 1.00 0.39 H new ATOM 0 HB THR A 73 4.809 5.291 4.861 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.270 4.330 5.705 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.762 5.945 3.696 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.812 4.938 2.671 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.365 4.231 3.429 1.00 0.46 H new ATOM 1090 N LYS A 74 5.924 2.385 6.507 1.00 0.47 N ATOM 1091 CA LYS A 74 7.118 2.201 7.333 1.00 0.53 C ATOM 1092 C LYS A 74 8.191 1.432 6.558 1.00 0.48 C ATOM 1093 O LYS A 74 9.327 1.867 6.472 1.00 0.55 O ATOM 1094 CB LYS A 74 6.751 1.443 8.626 1.00 0.65 C ATOM 1095 CG LYS A 74 7.916 1.123 9.563 1.00 1.26 C ATOM 1096 CD LYS A 74 8.500 2.368 10.203 1.00 1.88 C ATOM 1097 CE LYS A 74 9.678 2.014 11.099 1.00 2.66 C ATOM 1098 NZ LYS A 74 10.180 3.184 11.840 1.00 3.54 N ATOM 0 H LYS A 74 5.086 1.950 6.894 1.00 0.47 H new ATOM 0 HA LYS A 74 7.516 3.181 7.596 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.019 2.034 9.176 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.263 0.508 8.351 1.00 0.65 H new ATOM 0 HG2 LYS A 74 7.575 0.442 10.343 1.00 1.26 H new ATOM 0 HG3 LYS A 74 8.696 0.604 9.005 1.00 1.26 H new ATOM 0 HD2 LYS A 74 8.823 3.063 9.428 1.00 1.88 H new ATOM 0 HD3 LYS A 74 7.733 2.876 10.787 1.00 1.88 H new ATOM 0 HE2 LYS A 74 9.377 1.240 11.805 1.00 2.66 H new ATOM 0 HE3 LYS A 74 10.482 1.597 10.493 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 10.982 2.899 12.438 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 10.492 3.913 11.167 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 9.421 3.567 12.439 1.00 3.54 H new ATOM 1112 N TYR A 75 7.798 0.303 5.969 1.00 0.45 N ATOM 1113 CA TYR A 75 8.717 -0.537 5.191 1.00 0.44 C ATOM 1114 C TYR A 75 9.260 0.224 3.985 1.00 0.40 C ATOM 1115 O TYR A 75 10.453 0.144 3.641 1.00 0.48 O ATOM 1116 CB TYR A 75 7.999 -1.816 4.722 1.00 0.49 C ATOM 1117 CG TYR A 75 8.829 -2.677 3.789 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.829 -3.490 4.273 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.612 -2.655 2.416 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.593 -4.257 3.424 1.00 0.77 C ATOM 1121 CE2 TYR A 75 9.375 -3.423 1.565 1.00 0.61 C ATOM 1122 CZ TYR A 75 10.365 -4.218 2.073 1.00 0.69 C ATOM 1123 OH TYR A 75 11.130 -4.998 1.222 1.00 0.83 O ATOM 0 H TYR A 75 6.844 -0.055 6.015 1.00 0.45 H new ATOM 0 HA TYR A 75 9.554 -0.810 5.833 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.721 -2.406 5.595 1.00 0.49 H new ATOM 0 HB3 TYR A 75 7.074 -1.538 4.218 1.00 0.49 H new ATOM 0 HD1 TYR A 75 10.017 -3.526 5.336 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.833 -2.026 2.011 1.00 0.52 H new ATOM 0 HE1 TYR A 75 11.372 -4.890 3.822 1.00 0.77 H new ATOM 0 HE2 TYR A 75 9.192 -3.398 0.501 1.00 0.61 H new ATOM 0 HH TYR A 75 10.951 -4.741 0.293 1.00 0.83 H new ATOM 1133 N ILE A 76 8.381 0.956 3.362 1.00 0.37 N ATOM 1134 CA ILE A 76 8.696 1.725 2.193 1.00 0.43 C ATOM 1135 C ILE A 76 9.661 2.849 2.542 1.00 0.52 C ATOM 1136 O ILE A 76 10.793 2.827 2.100 1.00 0.65 O ATOM 1137 CB ILE A 76 7.403 2.276 1.593 1.00 0.45 C ATOM 1138 CG1 ILE A 76 6.550 1.106 1.088 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.710 3.271 0.486 1.00 0.59 C ATOM 1140 CD1 ILE A 76 5.182 1.499 0.622 1.00 0.55 C ATOM 0 H ILE A 76 7.408 1.036 3.658 1.00 0.37 H new ATOM 0 HA ILE A 76 9.184 1.088 1.456 1.00 0.43 H new ATOM 0 HB ILE A 76 6.839 2.813 2.355 1.00 0.45 H new ATOM 0 HG12 ILE A 76 7.074 0.617 0.267 1.00 0.48 H new ATOM 0 HG13 ILE A 76 6.452 0.371 1.887 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.777 3.653 0.071 1.00 0.59 H new ATOM 0 HG22 ILE A 76 8.292 4.099 0.892 1.00 0.59 H new ATOM 0 HG23 ILE A 76 8.281 2.776 -0.300 1.00 0.59 H new ATOM 0 HD11 ILE A 76 4.645 0.614 0.282 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.636 1.960 1.445 1.00 0.55 H new ATOM 0 HD13 ILE A 76 5.268 2.210 -0.200 1.00 0.55 H new ATOM 1152 N LEU A 77 9.203 3.791 3.354 1.00 0.52 N ATOM 1153 CA LEU A 77 9.971 4.938 3.830 1.00 0.71 C ATOM 1154 C LEU A 77 11.280 4.540 4.504 1.00 0.78 C ATOM 1155 O LEU A 77 12.184 5.362 4.637 1.00 0.96 O ATOM 1156 CB LEU A 77 9.126 5.803 4.759 1.00 0.86 C ATOM 1157 CG LEU A 77 8.175 6.837 4.125 1.00 0.88 C ATOM 1158 CD1 LEU A 77 7.179 6.198 3.174 1.00 1.74 C ATOM 1159 CD2 LEU A 77 7.440 7.577 5.220 1.00 0.99 C ATOM 0 H LEU A 77 8.249 3.779 3.715 1.00 0.52 H new ATOM 0 HA LEU A 77 10.241 5.520 2.949 1.00 0.71 H new ATOM 0 HB2 LEU A 77 8.528 5.138 5.381 1.00 0.86 H new ATOM 0 HB3 LEU A 77 9.804 6.338 5.424 1.00 0.86 H new ATOM 0 HG LEU A 77 8.779 7.530 3.539 1.00 0.88 H new ATOM 0 HD11 LEU A 77 6.532 6.968 2.754 1.00 1.74 H new ATOM 0 HD12 LEU A 77 7.715 5.696 2.369 1.00 1.74 H new ATOM 0 HD13 LEU A 77 6.574 5.471 3.716 1.00 1.74 H new ATOM 0 HD21 LEU A 77 6.766 8.309 4.775 1.00 0.99 H new ATOM 0 HD22 LEU A 77 6.864 6.868 5.815 1.00 0.99 H new ATOM 0 HD23 LEU A 77 8.159 8.088 5.860 1.00 0.99 H new ATOM 1171 N ASP A 78 11.354 3.318 4.969 1.00 0.71 N ATOM 1172 CA ASP A 78 12.589 2.790 5.533 1.00 0.84 C ATOM 1173 C ASP A 78 13.677 2.696 4.458 1.00 0.94 C ATOM 1174 O ASP A 78 14.807 3.151 4.658 1.00 1.09 O ATOM 1175 CB ASP A 78 12.359 1.418 6.150 1.00 0.91 C ATOM 1176 CG ASP A 78 13.610 0.812 6.723 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.060 1.257 7.794 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.157 -0.136 6.131 1.00 1.26 O ATOM 0 H ASP A 78 10.574 2.661 4.972 1.00 0.71 H new ATOM 0 HA ASP A 78 12.919 3.476 6.313 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.609 1.501 6.937 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.952 0.749 5.392 1.00 0.91 H new ATOM 1183 N HIS A 79 13.325 2.156 3.303 1.00 0.95 N ATOM 1184 CA HIS A 79 14.299 1.985 2.216 1.00 1.20 C ATOM 1185 C HIS A 79 14.180 3.109 1.188 1.00 1.33 C ATOM 1186 O HIS A 79 15.121 3.873 0.984 1.00 1.91 O ATOM 1187 CB HIS A 79 14.125 0.636 1.495 1.00 1.28 C ATOM 1188 CG HIS A 79 14.440 -0.590 2.301 1.00 1.67 C ATOM 1189 ND1 HIS A 79 15.701 -1.115 2.396 1.00 2.09 N ATOM 1190 CD2 HIS A 79 13.634 -1.433 2.985 1.00 2.48 C ATOM 1191 CE1 HIS A 79 15.661 -2.227 3.089 1.00 2.64 C ATOM 1192 NE2 HIS A 79 14.419 -2.447 3.461 1.00 2.89 N ATOM 0 H HIS A 79 12.384 1.829 3.086 1.00 0.95 H new ATOM 0 HA HIS A 79 15.285 2.013 2.680 1.00 1.20 H new ATOM 0 HB2 HIS A 79 13.094 0.563 1.148 1.00 1.28 H new ATOM 0 HB3 HIS A 79 14.760 0.636 0.609 1.00 1.28 H new ATOM 0 HD2 HIS A 79 12.569 -1.326 3.129 1.00 2.48 H new ATOM 0 HE1 HIS A 79 16.508 -2.858 3.317 1.00 2.64 H new ATOM 0 HE2 HIS A 79 14.095 -3.241 4.013 1.00 2.89 H new ATOM 1201 N GLN A 80 12.991 3.201 0.582 1.00 0.98 N ATOM 1202 CA GLN A 80 12.620 4.180 -0.457 1.00 1.13 C ATOM 1203 C GLN A 80 13.446 4.043 -1.730 1.00 1.30 C ATOM 1204 O GLN A 80 14.393 3.243 -1.809 1.00 1.51 O ATOM 1205 CB GLN A 80 12.687 5.613 0.061 1.00 1.35 C ATOM 1206 CG GLN A 80 11.914 5.813 1.327 1.00 1.44 C ATOM 1207 CD GLN A 80 11.842 7.247 1.746 1.00 1.52 C ATOM 1208 OE1 GLN A 80 12.718 7.749 2.447 1.00 2.23 O ATOM 1209 NE2 GLN A 80 10.774 7.886 1.409 1.00 1.50 N ATOM 0 H GLN A 80 12.224 2.569 0.810 1.00 0.98 H new ATOM 0 HA GLN A 80 11.586 3.951 -0.714 1.00 1.13 H new ATOM 0 HB2 GLN A 80 13.729 5.884 0.231 1.00 1.35 H new ATOM 0 HB3 GLN A 80 12.303 6.288 -0.703 1.00 1.35 H new ATOM 0 HG2 GLN A 80 10.903 5.428 1.194 1.00 1.44 H new ATOM 0 HG3 GLN A 80 12.375 5.230 2.124 1.00 1.44 H new ATOM 0 HE21 GLN A 80 10.071 7.432 0.825 1.00 1.50 H new ATOM 0 HE22 GLN A 80 10.632 8.845 1.726 1.00 1.50 H new ATOM 1218 N ALA A 81 13.066 4.787 -2.726 1.00 1.65 N ATOM 1219 CA ALA A 81 13.766 4.831 -3.971 1.00 2.08 C ATOM 1220 C ALA A 81 14.361 6.209 -4.157 1.00 2.73 C ATOM 1221 O ALA A 81 13.670 7.099 -4.691 1.00 3.38 O ATOM 1222 CB ALA A 81 12.827 4.514 -5.099 1.00 2.49 C ATOM 1223 OXT ALA A 81 15.515 6.420 -3.737 1.00 3.20 O ATOM 0 H ALA A 81 12.245 5.391 -2.693 1.00 1.65 H new ATOM 0 HA ALA A 81 14.565 4.090 -3.968 1.00 2.08 H new ATOM 0 HB1 ALA A 81 13.369 4.550 -6.044 1.00 2.49 H new ATOM 0 HB2 ALA A 81 12.411 3.517 -4.957 1.00 2.49 H new ATOM 0 HB3 ALA A 81 12.019 5.245 -5.116 1.00 2.49 H new TER 1229 ALA A 81 HETATM 1230 P24 SXO A 101 -8.922 -9.345 4.370 1.00 1.38 P HETATM 1231 O26 SXO A 101 -8.277 -8.570 5.482 1.00 1.59 O HETATM 1232 O23 SXO A 101 -10.401 -9.555 4.433 1.00 1.70 O HETATM 1233 O27 SXO A 101 -8.230 -10.783 4.301 1.00 1.28 O HETATM 1234 C28 SXO A 101 -6.741 -10.906 4.133 1.00 1.09 C HETATM 1235 C29 SXO A 101 -6.322 -12.394 4.105 1.00 1.13 C HETATM 1236 C30 SXO A 101 -6.604 -12.915 5.455 1.00 1.57 C HETATM 1237 C31 SXO A 101 -7.145 -13.150 3.073 1.00 1.26 C HETATM 1238 C32 SXO A 101 -4.774 -12.624 3.819 1.00 1.44 C HETATM 1239 O33 SXO A 101 -4.477 -14.012 3.834 1.00 1.99 O HETATM 1240 C34 SXO A 101 -4.357 -12.137 2.452 1.00 1.35 C HETATM 1241 O35 SXO A 101 -3.967 -12.953 1.607 1.00 1.90 O HETATM 1242 N36 SXO A 101 -4.431 -10.880 2.229 1.00 1.15 N HETATM 1243 C37 SXO A 101 -4.077 -10.253 0.991 1.00 1.21 C HETATM 1244 C38 SXO A 101 -3.448 -8.895 1.198 1.00 1.09 C HETATM 1245 C39 SXO A 101 -4.314 -7.970 2.018 1.00 0.89 C HETATM 1246 O40 SXO A 101 -5.129 -7.217 1.510 1.00 1.31 O HETATM 1247 N41 SXO A 101 -4.110 -8.039 3.295 1.00 0.78 N HETATM 1248 C42 SXO A 101 -4.803 -7.249 4.251 1.00 0.93 C HETATM 1249 C43 SXO A 101 -4.195 -7.362 5.631 1.00 1.09 C HETATM 1250 S1 SXO A 101 -2.831 -6.303 5.815 1.00 1.27 S HETATM 1251 C1 SXO A 101 -1.640 -7.153 4.872 1.00 0.99 C HETATM 1252 O1 SXO A 101 -1.727 -8.359 4.526 1.00 1.87 O HETATM 1253 C2 SXO A 101 -0.448 -6.320 4.482 1.00 0.95 C HETATM 1254 C3 SXO A 101 -0.765 -5.237 3.478 1.00 0.75 C HETATM 1255 C4 SXO A 101 0.506 -4.536 3.026 1.00 0.78 C HETATM 1256 C5 SXO A 101 0.245 -3.555 1.902 1.00 0.90 C HETATM 1257 C6 SXO A 101 1.526 -2.882 1.450 1.00 0.83 C HETATM 1258 C7 SXO A 101 1.277 -1.923 0.299 1.00 0.79 C HETATM 1259 C8 SXO A 101 2.568 -1.247 -0.078 1.00 0.83 C HETATM 0 HO33 SXO A 101 -4.099 -14.275 2.969 1.00 1.99 H new HETATM 0 HN41 SXO A 101 -3.411 -8.699 3.634 1.00 0.78 H new HETATM 0 HN36 SXO A 101 -4.765 -10.283 2.985 1.00 1.15 H new HETATM 0 H43A SXO A 101 -4.948 -7.121 6.382 1.00 1.09 H new HETATM 0 H42A SXO A 101 -4.792 -6.206 3.935 1.00 0.93 H new HETATM 0 H38A SXO A 101 -2.484 -9.017 1.693 1.00 1.09 H new HETATM 0 H37A SXO A 101 -3.383 -10.894 0.447 1.00 1.21 H new HETATM 0 H31B SXO A 101 -8.202 -13.081 3.329 1.00 1.26 H new HETATM 0 H31A SXO A 101 -6.982 -12.714 2.087 1.00 1.26 H new HETATM 0 H30B SXO A 101 -6.025 -12.355 6.189 1.00 1.57 H new HETATM 0 H30A SXO A 101 -7.667 -12.807 5.672 1.00 1.57 H new HETATM 0 H28A SXO A 101 -6.431 -10.417 3.209 1.00 1.09 H new HETATM 0 H8B SXO A 101 2.953 -0.694 0.779 1.00 0.83 H new HETATM 0 H8A SXO A 101 3.297 -1.998 -0.382 1.00 0.83 H new HETATM 0 H8 SXO A 101 2.390 -0.558 -0.904 1.00 0.83 H new HETATM 0 H7A SXO A 101 0.873 -2.463 -0.557 1.00 0.79 H new HETATM 0 H7 SXO A 101 0.534 -1.179 0.586 1.00 0.79 H new HETATM 0 H6A SXO A 101 1.968 -2.341 2.286 1.00 0.83 H new HETATM 0 H6 SXO A 101 2.247 -3.640 1.144 1.00 0.83 H new HETATM 0 H5A SXO A 101 -0.211 -4.076 1.060 1.00 0.90 H new HETATM 0 H5 SXO A 101 -0.468 -2.800 2.234 1.00 0.90 H new HETATM 0 H4A SXO A 101 0.949 -4.009 3.871 1.00 0.78 H new HETATM 0 H43 SXO A 101 -3.884 -8.391 5.810 1.00 1.09 H new HETATM 0 H42 SXO A 101 -5.847 -7.560 4.289 1.00 0.93 H new HETATM 0 H4 SXO A 101 1.232 -5.279 2.697 1.00 0.78 H new HETATM 0 H3A SXO A 101 -1.274 -5.670 2.617 1.00 0.75 H new HETATM 0 H38 SXO A 101 -3.253 -8.438 0.228 1.00 1.09 H new HETATM 0 H37 SXO A 101 -4.967 -10.148 0.371 1.00 1.21 H new HETATM 0 H32 SXO A 101 -4.245 -12.070 4.595 1.00 1.44 H new HETATM 0 H31 SXO A 101 -6.842 -14.197 3.062 1.00 1.26 H new HETATM 0 H30 SXO A 101 -6.329 -13.969 5.503 1.00 1.57 H new HETATM 0 H3 SXO A 101 -1.448 -4.512 3.921 1.00 0.75 H new HETATM 0 H2A SXO A 101 -0.028 -5.861 5.377 1.00 0.95 H new HETATM 0 H28 SXO A 101 -6.233 -10.394 4.950 1.00 1.09 H new HETATM 0 H2 SXO A 101 0.320 -6.973 4.068 1.00 0.95 H new