USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=14 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 Set 1.1: A 75 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.009 X(o=-0.009,f=-0.39) USER MOD Single : A 1 ALA N :NH3+ 166:sc= 1.22 (180deg=1.06) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.731 K(o=-0.73,f=0) USER MOD Single : A 16 ASN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= 0.158 (180deg=0) USER MOD Single : A 31 SER OG : rot -141:sc= -3.2! USER MOD Single : A 33 THR OG1 : rot -43:sc= 0.502 USER MOD Single : A 42 SER OG : rot 63:sc= 0.903 USER MOD Single : A 43 MET CE :methyl -133:sc= -0.995 (180deg=-4.94!) USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= 1.15 (180deg=0.465) USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= -0.118 (180deg=-0.593) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.276 USER MOD Single : A 73 THR OG1 : rot -84:sc= 0.853 USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= -0.0157 (180deg=-0.203) USER MOD Single : A 80 GLN : amide:sc= -3.52! C(o=-3.5!,f=-5.7!) USER MOD Single : A 101 SXO O33 : rot 128:sc= 0.175 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.133 8.606 -4.401 1.00 2.17 N ATOM 2 CA ALA A 1 12.440 8.297 -3.156 1.00 1.67 C ATOM 3 C ALA A 1 11.251 9.221 -2.927 1.00 1.37 C ATOM 4 O ALA A 1 11.416 10.429 -2.696 1.00 1.65 O ATOM 5 CB ALA A 1 13.396 8.380 -1.983 1.00 2.09 C ATOM 0 H1 ALA A 1 14.057 8.130 -4.411 1.00 2.17 H new ATOM 0 H2 ALA A 1 12.564 8.275 -5.206 1.00 2.17 H new ATOM 0 H3 ALA A 1 13.272 9.634 -4.475 1.00 2.17 H new ATOM 0 HA ALA A 1 12.060 7.279 -3.238 1.00 1.67 H new ATOM 0 HB1 ALA A 1 12.863 8.147 -1.062 1.00 2.09 H new ATOM 0 HB2 ALA A 1 14.207 7.666 -2.124 1.00 2.09 H new ATOM 0 HB3 ALA A 1 13.807 9.388 -1.919 1.00 2.09 H new ATOM 13 N ALA A 2 10.063 8.659 -2.993 1.00 1.12 N ATOM 14 CA ALA A 2 8.842 9.381 -2.710 1.00 0.91 C ATOM 15 C ALA A 2 8.547 9.219 -1.236 1.00 0.87 C ATOM 16 O ALA A 2 8.881 8.180 -0.645 1.00 1.07 O ATOM 17 CB ALA A 2 7.692 8.841 -3.548 1.00 0.92 C ATOM 0 H ALA A 2 9.917 7.682 -3.246 1.00 1.12 H new ATOM 0 HA ALA A 2 8.959 10.435 -2.961 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.783 9.398 -3.320 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.930 8.952 -4.606 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.539 7.786 -3.319 1.00 0.92 H new ATOM 23 N THR A 3 7.952 10.201 -0.626 1.00 0.76 N ATOM 24 CA THR A 3 7.759 10.122 0.796 1.00 0.76 C ATOM 25 C THR A 3 6.382 9.524 1.157 1.00 0.56 C ATOM 26 O THR A 3 5.591 9.298 0.272 1.00 0.48 O ATOM 27 CB THR A 3 8.090 11.466 1.495 1.00 0.97 C ATOM 28 OG1 THR A 3 9.109 12.153 0.719 1.00 1.45 O ATOM 29 CG2 THR A 3 8.682 11.230 2.873 1.00 1.57 C ATOM 0 H THR A 3 7.599 11.047 -1.074 1.00 0.76 H new ATOM 0 HA THR A 3 8.481 9.413 1.201 1.00 0.76 H new ATOM 0 HB THR A 3 7.169 12.043 1.576 1.00 0.97 H new ATOM 0 HG1 THR A 3 9.327 13.006 1.149 1.00 1.45 H new ATOM 0 HG21 THR A 3 8.905 12.188 3.342 1.00 1.57 H new ATOM 0 HG22 THR A 3 7.967 10.683 3.487 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.600 10.649 2.780 1.00 1.57 H new ATOM 37 N GLN A 4 6.097 9.308 2.456 1.00 0.58 N ATOM 38 CA GLN A 4 4.916 8.554 2.900 1.00 0.52 C ATOM 39 C GLN A 4 3.593 9.075 2.340 1.00 0.49 C ATOM 40 O GLN A 4 2.758 8.278 1.940 1.00 0.51 O ATOM 41 CB GLN A 4 4.852 8.404 4.434 1.00 0.65 C ATOM 42 CG GLN A 4 4.658 9.698 5.205 1.00 1.14 C ATOM 43 CD GLN A 4 4.485 9.484 6.694 1.00 1.21 C ATOM 44 OE1 GLN A 4 3.784 10.241 7.359 1.00 1.64 O ATOM 45 NE2 GLN A 4 5.128 8.484 7.235 1.00 1.76 N ATOM 0 H GLN A 4 6.678 9.651 3.221 1.00 0.58 H new ATOM 0 HA GLN A 4 5.052 7.561 2.472 1.00 0.52 H new ATOM 0 HB2 GLN A 4 4.035 7.726 4.683 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.773 7.932 4.775 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.517 10.347 5.035 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.783 10.218 4.815 1.00 1.14 H new ATOM 0 HE21 GLN A 4 5.702 7.873 6.654 1.00 1.76 H new ATOM 0 HE22 GLN A 4 5.056 8.314 8.238 1.00 1.76 H new ATOM 54 N GLU A 5 3.420 10.388 2.280 1.00 0.53 N ATOM 55 CA GLU A 5 2.196 10.960 1.731 1.00 0.58 C ATOM 56 C GLU A 5 2.105 10.632 0.247 1.00 0.53 C ATOM 57 O GLU A 5 1.069 10.181 -0.236 1.00 0.60 O ATOM 58 CB GLU A 5 2.143 12.473 1.957 1.00 0.72 C ATOM 59 CG GLU A 5 0.871 13.121 1.437 1.00 1.48 C ATOM 60 CD GLU A 5 0.841 14.602 1.667 1.00 2.18 C ATOM 61 OE1 GLU A 5 1.405 15.358 0.846 1.00 3.05 O ATOM 62 OE2 GLU A 5 0.249 15.046 2.671 1.00 2.49 O ATOM 0 H GLU A 5 4.104 11.073 2.601 1.00 0.53 H new ATOM 0 HA GLU A 5 1.342 10.523 2.248 1.00 0.58 H new ATOM 0 HB2 GLU A 5 2.234 12.676 3.024 1.00 0.72 H new ATOM 0 HB3 GLU A 5 3.002 12.935 1.470 1.00 0.72 H new ATOM 0 HG2 GLU A 5 0.776 12.921 0.370 1.00 1.48 H new ATOM 0 HG3 GLU A 5 0.010 12.664 1.924 1.00 1.48 H new ATOM 69 N GLU A 6 3.223 10.811 -0.449 1.00 0.50 N ATOM 70 CA GLU A 6 3.340 10.486 -1.867 1.00 0.50 C ATOM 71 C GLU A 6 3.066 9.006 -2.082 1.00 0.42 C ATOM 72 O GLU A 6 2.397 8.615 -3.046 1.00 0.43 O ATOM 73 CB GLU A 6 4.748 10.797 -2.372 1.00 0.59 C ATOM 74 CG GLU A 6 5.138 12.254 -2.343 1.00 1.06 C ATOM 75 CD GLU A 6 4.290 13.097 -3.252 1.00 1.75 C ATOM 76 OE1 GLU A 6 4.401 12.955 -4.498 1.00 2.16 O ATOM 77 OE2 GLU A 6 3.545 13.952 -2.746 1.00 2.53 O ATOM 0 H GLU A 6 4.079 11.188 -0.043 1.00 0.50 H new ATOM 0 HA GLU A 6 2.614 11.087 -2.415 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.463 10.235 -1.772 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.837 10.435 -3.396 1.00 0.59 H new ATOM 0 HG2 GLU A 6 5.054 12.629 -1.323 1.00 1.06 H new ATOM 0 HG3 GLU A 6 6.184 12.352 -2.633 1.00 1.06 H new ATOM 84 N ILE A 7 3.593 8.190 -1.174 1.00 0.36 N ATOM 85 CA ILE A 7 3.416 6.768 -1.235 1.00 0.33 C ATOM 86 C ILE A 7 1.918 6.427 -1.111 1.00 0.30 C ATOM 87 O ILE A 7 1.340 5.817 -1.998 1.00 0.30 O ATOM 88 CB ILE A 7 4.189 6.018 -0.112 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.697 6.310 -0.171 1.00 0.40 C ATOM 90 CG2 ILE A 7 3.948 4.514 -0.234 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.350 5.979 -1.494 1.00 0.45 C ATOM 0 H ILE A 7 4.151 8.509 -0.382 1.00 0.36 H new ATOM 0 HA ILE A 7 3.816 6.441 -2.195 1.00 0.33 H new ATOM 0 HB ILE A 7 3.816 6.375 0.848 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.858 7.366 0.045 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.195 5.744 0.617 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.491 3.993 0.554 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.882 4.307 -0.138 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.298 4.167 -1.206 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.413 6.217 -1.445 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.225 4.917 -1.706 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.884 6.564 -2.286 1.00 0.45 H new ATOM 103 N VAL A 8 1.313 6.849 0.003 1.00 0.31 N ATOM 104 CA VAL A 8 -0.104 6.582 0.309 1.00 0.35 C ATOM 105 C VAL A 8 -1.026 7.049 -0.824 1.00 0.34 C ATOM 106 O VAL A 8 -1.882 6.284 -1.292 1.00 0.36 O ATOM 107 CB VAL A 8 -0.532 7.256 1.646 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.007 7.063 1.897 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.236 6.672 2.804 1.00 0.49 C ATOM 0 H VAL A 8 1.791 7.389 0.725 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.204 5.502 0.412 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.315 8.321 1.561 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.282 7.542 2.836 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.576 7.509 1.082 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.230 5.998 1.955 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.077 7.156 3.729 1.00 0.49 H new ATOM 0 HG22 VAL A 8 0.038 5.602 2.869 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.303 6.835 2.652 1.00 0.49 H new ATOM 119 N ALA A 9 -0.842 8.289 -1.263 1.00 0.37 N ATOM 120 CA ALA A 9 -1.647 8.853 -2.338 1.00 0.41 C ATOM 121 C ALA A 9 -1.524 8.013 -3.612 1.00 0.37 C ATOM 122 O ALA A 9 -2.505 7.802 -4.324 1.00 0.43 O ATOM 123 CB ALA A 9 -1.244 10.294 -2.597 1.00 0.48 C ATOM 0 H ALA A 9 -0.138 8.925 -0.888 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.692 8.838 -2.030 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.854 10.703 -3.403 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.396 10.883 -1.692 1.00 0.48 H new ATOM 0 HB3 ALA A 9 -0.193 10.332 -2.882 1.00 0.48 H new ATOM 129 N GLY A 10 -0.326 7.492 -3.855 1.00 0.33 N ATOM 130 CA GLY A 10 -0.090 6.657 -5.010 1.00 0.34 C ATOM 131 C GLY A 10 -0.777 5.313 -4.851 1.00 0.31 C ATOM 132 O GLY A 10 -1.347 4.786 -5.795 1.00 0.37 O ATOM 0 H GLY A 10 0.492 7.638 -3.263 1.00 0.33 H new ATOM 0 HA2 GLY A 10 -0.459 7.155 -5.906 1.00 0.34 H new ATOM 0 HA3 GLY A 10 0.981 6.509 -5.145 1.00 0.34 H new ATOM 136 N LEU A 11 -0.728 4.774 -3.630 1.00 0.26 N ATOM 137 CA LEU A 11 -1.360 3.494 -3.287 1.00 0.25 C ATOM 138 C LEU A 11 -2.832 3.533 -3.633 1.00 0.23 C ATOM 139 O LEU A 11 -3.364 2.620 -4.281 1.00 0.24 O ATOM 140 CB LEU A 11 -1.211 3.193 -1.781 1.00 0.28 C ATOM 141 CG LEU A 11 0.202 2.937 -1.252 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.180 2.812 0.264 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.770 1.669 -1.858 1.00 0.32 C ATOM 0 H LEU A 11 -0.246 5.215 -2.846 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.863 2.711 -3.859 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.632 4.032 -1.226 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.821 2.320 -1.550 1.00 0.28 H new ATOM 0 HG LEU A 11 0.833 3.780 -1.534 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.191 2.630 0.629 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.202 3.735 0.700 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.464 1.981 0.551 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.775 1.500 -1.472 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.134 0.824 -1.596 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.810 1.770 -2.943 1.00 0.32 H new ATOM 155 N ALA A 12 -3.472 4.619 -3.248 1.00 0.23 N ATOM 156 CA ALA A 12 -4.882 4.803 -3.477 1.00 0.23 C ATOM 157 C ALA A 12 -5.217 4.903 -4.957 1.00 0.21 C ATOM 158 O ALA A 12 -6.331 4.605 -5.350 1.00 0.24 O ATOM 159 CB ALA A 12 -5.392 6.003 -2.734 1.00 0.28 C ATOM 0 H ALA A 12 -3.023 5.398 -2.767 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.386 3.916 -3.093 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.459 6.121 -2.923 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -5.225 5.867 -1.665 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.863 6.893 -3.074 1.00 0.28 H new ATOM 165 N GLU A 13 -4.251 5.296 -5.772 1.00 0.24 N ATOM 166 CA GLU A 13 -4.459 5.367 -7.205 1.00 0.29 C ATOM 167 C GLU A 13 -4.670 3.987 -7.776 1.00 0.28 C ATOM 168 O GLU A 13 -5.575 3.777 -8.586 1.00 0.37 O ATOM 169 CB GLU A 13 -3.312 6.064 -7.919 1.00 0.42 C ATOM 170 CG GLU A 13 -3.181 7.541 -7.615 1.00 0.94 C ATOM 171 CD GLU A 13 -2.050 8.171 -8.383 1.00 1.53 C ATOM 172 OE1 GLU A 13 -1.764 7.738 -9.525 1.00 1.55 O ATOM 173 OE2 GLU A 13 -1.408 9.095 -7.848 1.00 2.48 O ATOM 0 H GLU A 13 -3.318 5.570 -5.464 1.00 0.24 H new ATOM 0 HA GLU A 13 -5.355 5.965 -7.371 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -2.380 5.568 -7.650 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -3.441 5.938 -8.994 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -4.114 8.047 -7.862 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -3.016 7.679 -6.546 1.00 0.94 H new ATOM 180 N ILE A 14 -3.866 3.029 -7.347 1.00 0.24 N ATOM 181 CA ILE A 14 -4.056 1.686 -7.835 1.00 0.28 C ATOM 182 C ILE A 14 -5.240 1.041 -7.088 1.00 0.25 C ATOM 183 O ILE A 14 -6.053 0.332 -7.683 1.00 0.32 O ATOM 184 CB ILE A 14 -2.788 0.750 -7.768 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.543 1.356 -8.460 1.00 0.43 C ATOM 186 CG2 ILE A 14 -3.098 -0.590 -8.413 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.710 2.284 -7.597 1.00 0.44 C ATOM 0 H ILE A 14 -3.101 3.154 -6.684 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.262 1.785 -8.901 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.552 0.631 -6.710 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.908 0.541 -8.807 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.869 1.904 -9.344 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -2.217 -1.230 -8.363 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.924 -1.066 -7.884 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.376 -0.436 -9.456 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.137 2.655 -8.174 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.322 3.125 -7.271 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.345 1.741 -6.725 1.00 0.44 H new ATOM 199 N VAL A 15 -5.377 1.346 -5.789 1.00 0.22 N ATOM 200 CA VAL A 15 -6.491 0.825 -4.993 1.00 0.22 C ATOM 201 C VAL A 15 -7.864 1.348 -5.515 1.00 0.22 C ATOM 202 O VAL A 15 -8.913 0.715 -5.329 1.00 0.25 O ATOM 203 CB VAL A 15 -6.314 1.028 -3.439 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.524 0.557 -2.686 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.134 0.236 -2.925 1.00 0.34 C ATOM 0 H VAL A 15 -4.734 1.947 -5.273 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.481 -0.256 -5.134 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.162 2.096 -3.280 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.370 0.711 -1.618 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.398 1.121 -3.012 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.684 -0.503 -2.881 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.031 0.391 -1.851 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -5.292 -0.824 -3.125 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.226 0.568 -3.428 1.00 0.34 H new ATOM 215 N ASN A 16 -7.841 2.471 -6.206 1.00 0.24 N ATOM 216 CA ASN A 16 -9.036 3.023 -6.851 1.00 0.30 C ATOM 217 C ASN A 16 -9.503 2.094 -7.987 1.00 0.34 C ATOM 218 O ASN A 16 -10.687 2.015 -8.300 1.00 0.43 O ATOM 219 CB ASN A 16 -8.768 4.449 -7.367 1.00 0.37 C ATOM 220 CG ASN A 16 -9.972 5.093 -8.036 1.00 0.50 C ATOM 221 OD1 ASN A 16 -10.151 4.986 -9.247 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.792 5.770 -7.266 1.00 0.48 N ATOM 0 H ASN A 16 -7.000 3.032 -6.341 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.836 3.086 -6.113 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.450 5.074 -6.533 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.941 4.420 -8.077 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.609 6.228 -7.669 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.612 5.838 -6.264 1.00 0.48 H new ATOM 229 N GLU A 17 -8.572 1.374 -8.579 1.00 0.37 N ATOM 230 CA GLU A 17 -8.927 0.383 -9.578 1.00 0.48 C ATOM 231 C GLU A 17 -9.323 -0.910 -8.877 1.00 0.47 C ATOM 232 O GLU A 17 -10.313 -1.553 -9.234 1.00 0.60 O ATOM 233 CB GLU A 17 -7.775 0.106 -10.547 1.00 0.63 C ATOM 234 CG GLU A 17 -8.140 -0.915 -11.622 1.00 1.05 C ATOM 235 CD GLU A 17 -7.004 -1.248 -12.543 1.00 1.51 C ATOM 236 OE1 GLU A 17 -6.800 -0.522 -13.534 1.00 1.70 O ATOM 237 OE2 GLU A 17 -6.317 -2.265 -12.315 1.00 2.11 O ATOM 0 H GLU A 17 -7.573 1.454 -8.389 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.760 0.775 -10.161 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -7.476 1.039 -11.025 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -6.913 -0.256 -9.986 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -8.486 -1.829 -11.140 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -8.973 -0.529 -12.210 1.00 1.05 H new ATOM 244 N ILE A 18 -8.534 -1.276 -7.874 1.00 0.39 N ATOM 245 CA ILE A 18 -8.737 -2.508 -7.109 1.00 0.43 C ATOM 246 C ILE A 18 -10.128 -2.534 -6.469 1.00 0.44 C ATOM 247 O ILE A 18 -10.880 -3.482 -6.656 1.00 0.53 O ATOM 248 CB ILE A 18 -7.652 -2.652 -5.993 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.235 -2.648 -6.596 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.874 -3.916 -5.162 1.00 0.50 C ATOM 251 CD1 ILE A 18 -5.974 -3.747 -7.606 1.00 0.71 C ATOM 0 H ILE A 18 -7.732 -0.727 -7.565 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.651 -3.343 -7.804 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.747 -1.791 -5.332 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -6.061 -1.684 -7.075 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.510 -2.737 -5.787 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.103 -3.987 -4.395 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.855 -3.872 -4.688 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -7.823 -4.791 -5.810 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -4.952 -3.665 -7.977 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.111 -4.718 -7.131 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.671 -3.649 -8.439 1.00 0.71 H new ATOM 263 N ALA A 19 -10.468 -1.493 -5.745 1.00 0.40 N ATOM 264 CA ALA A 19 -11.742 -1.443 -5.058 1.00 0.46 C ATOM 265 C ALA A 19 -12.551 -0.215 -5.438 1.00 0.45 C ATOM 266 O ALA A 19 -13.748 -0.307 -5.641 1.00 0.68 O ATOM 267 CB ALA A 19 -11.532 -1.489 -3.567 1.00 0.52 C ATOM 0 H ALA A 19 -9.882 -0.668 -5.615 1.00 0.40 H new ATOM 0 HA ALA A 19 -12.314 -2.317 -5.370 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -12.497 -1.451 -3.062 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -11.019 -2.413 -3.300 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.927 -0.636 -3.258 1.00 0.52 H new ATOM 273 N GLY A 20 -11.903 0.927 -5.523 1.00 0.44 N ATOM 274 CA GLY A 20 -12.630 2.140 -5.870 1.00 0.46 C ATOM 275 C GLY A 20 -12.825 3.060 -4.686 1.00 0.52 C ATOM 276 O GLY A 20 -13.942 3.466 -4.369 1.00 0.93 O ATOM 0 H GLY A 20 -10.903 1.046 -5.363 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -12.090 2.672 -6.653 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.603 1.871 -6.281 1.00 0.46 H new ATOM 280 N ILE A 21 -11.744 3.375 -4.022 1.00 0.38 N ATOM 281 CA ILE A 21 -11.781 4.287 -2.897 1.00 0.39 C ATOM 282 C ILE A 21 -11.360 5.686 -3.318 1.00 0.43 C ATOM 283 O ILE A 21 -10.749 5.858 -4.386 1.00 0.50 O ATOM 284 CB ILE A 21 -10.914 3.797 -1.682 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.576 3.155 -2.106 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.700 2.878 -0.770 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.584 4.074 -2.792 1.00 0.43 C ATOM 0 H ILE A 21 -10.816 3.012 -4.240 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.816 4.313 -2.558 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.657 4.694 -1.119 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.100 2.737 -1.219 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.792 2.322 -2.775 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.067 2.560 0.059 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.569 3.408 -0.380 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -12.030 2.004 -1.331 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.683 3.514 -3.043 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.029 4.474 -3.703 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.326 4.895 -2.123 1.00 0.43 H new ATOM 299 N PRO A 22 -11.695 6.701 -2.518 1.00 0.52 N ATOM 300 CA PRO A 22 -11.266 8.065 -2.766 1.00 0.60 C ATOM 301 C PRO A 22 -9.786 8.207 -2.440 1.00 0.55 C ATOM 302 O PRO A 22 -9.335 7.792 -1.362 1.00 0.52 O ATOM 303 CB PRO A 22 -12.110 8.895 -1.783 1.00 0.74 C ATOM 304 CG PRO A 22 -13.173 7.965 -1.306 1.00 0.75 C ATOM 305 CD PRO A 22 -12.538 6.619 -1.319 1.00 0.63 C ATOM 0 HA PRO A 22 -11.396 8.376 -3.803 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.504 9.260 -0.954 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.541 9.769 -2.273 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.512 8.232 -0.305 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.047 7.996 -1.957 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -11.952 6.434 -0.419 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.275 5.819 -1.390 1.00 0.63 H new ATOM 313 N VAL A 23 -9.044 8.795 -3.345 1.00 0.62 N ATOM 314 CA VAL A 23 -7.618 8.930 -3.216 1.00 0.65 C ATOM 315 C VAL A 23 -7.217 9.757 -1.973 1.00 0.73 C ATOM 316 O VAL A 23 -6.207 9.477 -1.331 1.00 1.02 O ATOM 317 CB VAL A 23 -6.999 9.517 -4.517 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.500 10.925 -4.812 1.00 1.48 C ATOM 319 CG2 VAL A 23 -5.496 9.474 -4.469 1.00 1.35 C ATOM 0 H VAL A 23 -9.420 9.198 -4.203 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.210 7.930 -3.067 1.00 0.65 H new ATOM 0 HB VAL A 23 -7.331 8.884 -5.340 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -7.039 11.290 -5.730 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -8.583 10.908 -4.932 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.237 11.585 -3.986 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -5.090 9.890 -5.391 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -5.142 10.059 -3.620 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -5.165 8.441 -4.361 1.00 1.35 H new ATOM 329 N GLU A 24 -8.031 10.731 -1.610 1.00 0.66 N ATOM 330 CA GLU A 24 -7.737 11.582 -0.467 1.00 0.76 C ATOM 331 C GLU A 24 -8.302 11.000 0.824 1.00 0.69 C ATOM 332 O GLU A 24 -8.099 11.564 1.900 1.00 0.80 O ATOM 333 CB GLU A 24 -8.317 12.968 -0.681 1.00 0.99 C ATOM 334 CG GLU A 24 -7.787 13.691 -1.896 1.00 1.22 C ATOM 335 CD GLU A 24 -8.591 14.920 -2.190 1.00 1.54 C ATOM 336 OE1 GLU A 24 -9.651 14.795 -2.842 1.00 1.89 O ATOM 337 OE2 GLU A 24 -8.210 16.021 -1.759 1.00 2.03 O ATOM 0 H GLU A 24 -8.903 10.954 -2.090 1.00 0.66 H new ATOM 0 HA GLU A 24 -6.652 11.643 -0.376 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -9.400 12.885 -0.768 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -8.114 13.573 0.203 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -6.745 13.966 -1.733 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -7.810 13.024 -2.758 1.00 1.22 H new ATOM 344 N ASP A 25 -9.007 9.879 0.730 1.00 0.60 N ATOM 345 CA ASP A 25 -9.622 9.281 1.916 1.00 0.64 C ATOM 346 C ASP A 25 -8.614 8.406 2.621 1.00 0.55 C ATOM 347 O ASP A 25 -8.636 8.240 3.850 1.00 0.58 O ATOM 348 CB ASP A 25 -10.849 8.456 1.537 1.00 0.72 C ATOM 349 CG ASP A 25 -11.603 7.957 2.739 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.383 8.736 3.322 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.456 6.796 3.123 1.00 0.98 O ATOM 0 H ASP A 25 -9.168 9.370 -0.139 1.00 0.60 H new ATOM 0 HA ASP A 25 -9.942 10.082 2.582 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.514 9.062 0.921 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.538 7.606 0.929 1.00 0.72 H new ATOM 356 N VAL A 26 -7.713 7.889 1.840 1.00 0.51 N ATOM 357 CA VAL A 26 -6.676 7.022 2.314 1.00 0.47 C ATOM 358 C VAL A 26 -5.537 7.859 2.891 1.00 0.47 C ATOM 359 O VAL A 26 -4.736 8.436 2.153 1.00 0.51 O ATOM 360 CB VAL A 26 -6.142 6.140 1.155 1.00 0.51 C ATOM 361 CG1 VAL A 26 -5.141 5.108 1.664 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.289 5.455 0.429 1.00 0.70 C ATOM 0 H VAL A 26 -7.678 8.062 0.835 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.082 6.373 3.090 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.626 6.792 0.451 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.784 4.505 0.829 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.298 5.618 2.130 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.625 4.463 2.397 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.893 4.841 -0.380 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.837 4.824 1.128 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.961 6.208 0.017 1.00 0.70 H new ATOM 372 N LYS A 27 -5.569 8.045 4.186 1.00 0.49 N ATOM 373 CA LYS A 27 -4.488 8.691 4.895 1.00 0.54 C ATOM 374 C LYS A 27 -3.722 7.651 5.687 1.00 0.47 C ATOM 375 O LYS A 27 -4.121 6.496 5.705 1.00 0.51 O ATOM 376 CB LYS A 27 -4.989 9.837 5.782 1.00 0.65 C ATOM 377 CG LYS A 27 -5.557 10.999 4.989 1.00 0.83 C ATOM 378 CD LYS A 27 -4.507 11.565 4.057 1.00 1.53 C ATOM 379 CE LYS A 27 -5.069 12.625 3.136 1.00 2.02 C ATOM 380 NZ LYS A 27 -4.034 13.110 2.212 1.00 2.83 N ATOM 0 H LYS A 27 -6.344 7.754 4.781 1.00 0.49 H new ATOM 0 HA LYS A 27 -3.813 9.149 4.171 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -5.755 9.457 6.458 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.167 10.195 6.401 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -6.422 10.667 4.414 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.905 11.776 5.669 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -3.694 11.991 4.645 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -4.080 10.758 3.461 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -5.906 12.216 2.570 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -5.457 13.456 3.724 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -4.439 13.837 1.588 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -3.247 13.519 2.756 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -3.682 12.317 1.638 1.00 2.83 H new ATOM 394 N LEU A 28 -2.670 8.069 6.374 1.00 0.49 N ATOM 395 CA LEU A 28 -1.725 7.164 7.075 1.00 0.47 C ATOM 396 C LEU A 28 -2.390 6.142 8.009 1.00 0.50 C ATOM 397 O LEU A 28 -1.962 4.989 8.087 1.00 0.56 O ATOM 398 CB LEU A 28 -0.642 7.956 7.849 1.00 0.54 C ATOM 399 CG LEU A 28 0.479 8.641 7.031 1.00 0.53 C ATOM 400 CD1 LEU A 28 1.232 7.632 6.184 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.041 9.794 6.177 1.00 0.99 C ATOM 0 H LEU A 28 -2.431 9.056 6.472 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.258 6.590 6.274 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.145 8.725 8.435 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.170 7.274 8.556 1.00 0.54 H new ATOM 0 HG LEU A 28 1.175 9.071 7.751 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.013 8.141 5.620 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.683 6.879 6.830 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.541 7.150 5.492 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.786 10.239 5.624 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.787 9.420 5.476 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.494 10.548 6.821 1.00 0.99 H new ATOM 413 N ASP A 29 -3.439 6.537 8.676 1.00 0.56 N ATOM 414 CA ASP A 29 -4.098 5.653 9.646 1.00 0.65 C ATOM 415 C ASP A 29 -5.110 4.717 9.003 1.00 0.61 C ATOM 416 O ASP A 29 -5.878 4.060 9.694 1.00 1.03 O ATOM 417 CB ASP A 29 -4.762 6.450 10.776 1.00 0.87 C ATOM 418 CG ASP A 29 -3.770 7.209 11.619 1.00 1.73 C ATOM 419 OD1 ASP A 29 -3.023 6.574 12.404 1.00 2.34 O ATOM 420 OD2 ASP A 29 -3.711 8.467 11.519 1.00 2.47 O ATOM 0 H ASP A 29 -3.868 7.458 8.579 1.00 0.56 H new ATOM 0 HA ASP A 29 -3.306 5.035 10.069 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -5.478 7.151 10.347 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.325 5.768 11.413 1.00 0.87 H new ATOM 425 N LYS A 30 -5.113 4.648 7.696 1.00 0.43 N ATOM 426 CA LYS A 30 -6.024 3.774 6.989 1.00 0.39 C ATOM 427 C LYS A 30 -5.333 2.479 6.604 1.00 0.38 C ATOM 428 O LYS A 30 -4.162 2.476 6.275 1.00 0.57 O ATOM 429 CB LYS A 30 -6.587 4.471 5.736 1.00 0.44 C ATOM 430 CG LYS A 30 -7.401 5.727 6.029 1.00 0.51 C ATOM 431 CD LYS A 30 -8.578 5.398 6.912 1.00 0.75 C ATOM 432 CE LYS A 30 -9.413 6.607 7.245 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.546 6.237 8.116 1.00 1.06 N ATOM 0 H LYS A 30 -4.492 5.189 7.094 1.00 0.43 H new ATOM 0 HA LYS A 30 -6.854 3.540 7.656 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.759 4.734 5.078 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -7.214 3.764 5.192 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -6.770 6.471 6.515 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.751 6.167 5.095 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.203 4.656 6.415 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.218 4.945 7.836 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -8.796 7.355 7.742 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.787 7.061 6.327 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -10.704 6.988 8.818 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.403 6.117 7.539 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -10.331 5.345 8.606 1.00 1.06 H new ATOM 447 N SER A 31 -6.038 1.398 6.708 1.00 0.46 N ATOM 448 CA SER A 31 -5.587 0.096 6.297 1.00 0.44 C ATOM 449 C SER A 31 -6.454 -0.349 5.122 1.00 0.45 C ATOM 450 O SER A 31 -7.551 0.196 4.939 1.00 0.57 O ATOM 451 CB SER A 31 -5.754 -0.822 7.467 1.00 0.49 C ATOM 452 OG SER A 31 -7.027 -0.599 8.029 1.00 1.31 O ATOM 0 H SER A 31 -6.981 1.392 7.096 1.00 0.46 H new ATOM 0 HA SER A 31 -4.543 0.095 5.984 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.655 -1.861 7.151 1.00 0.49 H new ATOM 0 HB3 SER A 31 -4.975 -0.639 8.207 1.00 0.49 H new ATOM 0 HG SER A 31 -6.966 -0.645 9.006 1.00 1.31 H new ATOM 458 N PHE A 32 -6.025 -1.352 4.376 1.00 0.41 N ATOM 459 CA PHE A 32 -6.683 -1.692 3.135 1.00 0.46 C ATOM 460 C PHE A 32 -8.023 -2.388 3.332 1.00 0.55 C ATOM 461 O PHE A 32 -8.980 -2.086 2.641 1.00 1.03 O ATOM 462 CB PHE A 32 -5.752 -2.517 2.253 1.00 0.51 C ATOM 463 CG PHE A 32 -4.480 -1.794 1.873 1.00 0.50 C ATOM 464 CD1 PHE A 32 -3.353 -1.854 2.691 1.00 0.52 C ATOM 465 CD2 PHE A 32 -4.408 -1.064 0.699 1.00 0.55 C ATOM 466 CE1 PHE A 32 -2.188 -1.202 2.339 1.00 0.58 C ATOM 467 CE2 PHE A 32 -3.243 -0.408 0.344 1.00 0.59 C ATOM 468 CZ PHE A 32 -2.133 -0.477 1.164 1.00 0.60 C ATOM 0 H PHE A 32 -5.226 -1.941 4.610 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.912 -0.753 2.631 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -5.494 -3.439 2.774 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -6.283 -2.802 1.345 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -3.392 -2.417 3.612 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -5.271 -1.006 0.053 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -1.321 -1.259 2.981 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -3.201 0.158 -0.575 1.00 0.59 H new ATOM 0 HZ PHE A 32 -1.223 0.035 0.887 1.00 0.60 H new ATOM 478 N THR A 33 -8.117 -3.263 4.286 1.00 0.47 N ATOM 479 CA THR A 33 -9.344 -4.006 4.440 1.00 0.50 C ATOM 480 C THR A 33 -9.871 -3.936 5.884 1.00 0.60 C ATOM 481 O THR A 33 -10.579 -4.820 6.385 1.00 1.13 O ATOM 482 CB THR A 33 -9.169 -5.463 3.909 1.00 0.65 C ATOM 483 OG1 THR A 33 -10.389 -6.232 3.991 1.00 1.37 O ATOM 484 CG2 THR A 33 -8.041 -6.185 4.627 1.00 1.21 C ATOM 0 H THR A 33 -7.382 -3.482 4.958 1.00 0.47 H new ATOM 0 HA THR A 33 -10.117 -3.541 3.828 1.00 0.50 H new ATOM 0 HB THR A 33 -8.909 -5.373 2.854 1.00 0.65 H new ATOM 0 HG1 THR A 33 -10.825 -6.062 4.852 1.00 1.37 H new ATOM 0 HG21 THR A 33 -7.947 -7.197 4.232 1.00 1.21 H new ATOM 0 HG22 THR A 33 -7.106 -5.646 4.471 1.00 1.21 H new ATOM 0 HG23 THR A 33 -8.259 -6.231 5.694 1.00 1.21 H new ATOM 492 N ASP A 34 -9.583 -2.839 6.516 1.00 0.55 N ATOM 493 CA ASP A 34 -10.093 -2.566 7.842 1.00 0.60 C ATOM 494 C ASP A 34 -10.759 -1.229 7.818 1.00 0.58 C ATOM 495 O ASP A 34 -11.957 -1.119 8.046 1.00 0.75 O ATOM 496 CB ASP A 34 -9.004 -2.615 8.922 1.00 0.72 C ATOM 497 CG ASP A 34 -8.470 -3.999 9.204 1.00 1.46 C ATOM 498 OD1 ASP A 34 -7.703 -4.521 8.369 1.00 2.31 O ATOM 499 OD2 ASP A 34 -8.829 -4.608 10.241 1.00 1.58 O ATOM 0 H ASP A 34 -8.989 -2.103 6.135 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.806 -3.346 8.107 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.177 -1.974 8.616 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -9.406 -2.198 9.846 1.00 0.72 H new ATOM 504 N ASP A 35 -9.997 -0.206 7.521 1.00 0.48 N ATOM 505 CA ASP A 35 -10.569 1.123 7.349 1.00 0.50 C ATOM 506 C ASP A 35 -11.163 1.273 5.984 1.00 0.56 C ATOM 507 O ASP A 35 -12.225 1.870 5.823 1.00 0.86 O ATOM 508 CB ASP A 35 -9.557 2.235 7.566 1.00 0.47 C ATOM 509 CG ASP A 35 -9.257 2.508 9.012 1.00 0.99 C ATOM 510 OD1 ASP A 35 -8.418 1.819 9.601 1.00 1.47 O ATOM 511 OD2 ASP A 35 -9.842 3.458 9.581 1.00 1.67 O ATOM 0 H ASP A 35 -8.986 -0.258 7.392 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.343 1.216 8.111 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.630 1.975 7.055 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.930 3.149 7.103 1.00 0.47 H new ATOM 516 N LEU A 36 -10.494 0.736 4.995 1.00 0.44 N ATOM 517 CA LEU A 36 -10.977 0.848 3.654 1.00 0.49 C ATOM 518 C LEU A 36 -11.863 -0.338 3.335 1.00 0.53 C ATOM 519 O LEU A 36 -12.033 -1.251 4.166 1.00 0.64 O ATOM 520 CB LEU A 36 -9.820 0.942 2.650 1.00 0.51 C ATOM 521 CG LEU A 36 -8.812 2.069 2.867 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.715 2.006 1.816 1.00 0.65 C ATOM 523 CD2 LEU A 36 -9.503 3.412 2.834 1.00 0.69 C ATOM 0 H LEU A 36 -9.619 0.221 5.098 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.558 1.766 3.570 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -9.280 -0.005 2.664 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -10.244 1.052 1.652 1.00 0.51 H new ATOM 0 HG LEU A 36 -8.357 1.943 3.850 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -7.004 2.815 1.983 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -7.198 1.049 1.886 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -8.155 2.109 0.824 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.769 4.203 2.990 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -9.984 3.550 1.866 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -10.255 3.454 3.622 1.00 0.69 H new ATOM 535 N ASP A 37 -12.402 -0.340 2.159 1.00 0.63 N ATOM 536 CA ASP A 37 -13.286 -1.391 1.723 1.00 0.76 C ATOM 537 C ASP A 37 -12.707 -1.932 0.463 1.00 0.78 C ATOM 538 O ASP A 37 -13.132 -1.609 -0.647 1.00 1.33 O ATOM 539 CB ASP A 37 -14.725 -0.875 1.524 1.00 1.14 C ATOM 540 CG ASP A 37 -15.714 -1.964 1.159 1.00 1.49 C ATOM 541 OD1 ASP A 37 -16.063 -2.781 2.029 1.00 2.15 O ATOM 542 OD2 ASP A 37 -16.181 -2.010 0.004 1.00 1.96 O ATOM 0 H ASP A 37 -12.245 0.389 1.463 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.363 -2.175 2.476 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -15.057 -0.386 2.440 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -14.726 -0.117 0.740 1.00 1.14 H new ATOM 547 N VAL A 38 -11.636 -2.639 0.650 1.00 0.65 N ATOM 548 CA VAL A 38 -10.826 -3.154 -0.411 1.00 0.96 C ATOM 549 C VAL A 38 -10.574 -4.595 -0.135 1.00 0.89 C ATOM 550 O VAL A 38 -9.967 -4.920 0.885 1.00 1.43 O ATOM 551 CB VAL A 38 -9.451 -2.425 -0.435 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.585 -2.902 -1.595 1.00 2.23 C ATOM 553 CG2 VAL A 38 -9.623 -0.915 -0.472 1.00 2.14 C ATOM 0 H VAL A 38 -11.289 -2.882 1.578 1.00 0.65 H new ATOM 0 HA VAL A 38 -11.335 -3.008 -1.364 1.00 0.96 H new ATOM 0 HB VAL A 38 -8.936 -2.680 0.491 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.633 -2.372 -1.580 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -8.405 -3.973 -1.499 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -9.097 -2.703 -2.537 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -8.643 -0.437 -0.488 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -10.178 -0.634 -1.367 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -10.171 -0.589 0.412 1.00 2.14 H new ATOM 563 N ASP A 39 -11.116 -5.456 -0.988 1.00 0.82 N ATOM 564 CA ASP A 39 -10.895 -6.893 -0.888 1.00 1.15 C ATOM 565 C ASP A 39 -9.417 -7.168 -0.750 1.00 1.18 C ATOM 566 O ASP A 39 -8.605 -6.741 -1.578 1.00 2.04 O ATOM 567 CB ASP A 39 -11.419 -7.605 -2.111 1.00 1.60 C ATOM 568 CG ASP A 39 -11.338 -9.109 -2.004 1.00 2.37 C ATOM 569 OD1 ASP A 39 -10.296 -9.682 -2.347 1.00 2.96 O ATOM 570 OD2 ASP A 39 -12.349 -9.746 -1.602 1.00 2.78 O ATOM 0 H ASP A 39 -11.718 -5.180 -1.764 1.00 0.82 H new ATOM 0 HA ASP A 39 -11.429 -7.262 -0.012 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -12.456 -7.314 -2.276 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -10.854 -7.278 -2.984 1.00 1.60 H new ATOM 575 N SER A 40 -9.090 -7.867 0.270 1.00 0.85 N ATOM 576 CA SER A 40 -7.729 -8.096 0.642 1.00 0.86 C ATOM 577 C SER A 40 -7.040 -9.043 -0.296 1.00 0.74 C ATOM 578 O SER A 40 -5.887 -8.862 -0.613 1.00 0.81 O ATOM 579 CB SER A 40 -7.689 -8.622 2.024 1.00 1.19 C ATOM 580 OG SER A 40 -8.445 -9.853 2.074 1.00 1.18 O ATOM 0 H SER A 40 -9.769 -8.310 0.889 1.00 0.85 H new ATOM 0 HA SER A 40 -7.194 -7.148 0.586 1.00 0.86 H new ATOM 0 HB2 SER A 40 -6.658 -8.799 2.331 1.00 1.19 H new ATOM 0 HB3 SER A 40 -8.108 -7.893 2.718 1.00 1.19 H new ATOM 585 N LEU A 41 -7.769 -10.026 -0.789 1.00 0.71 N ATOM 586 CA LEU A 41 -7.205 -11.001 -1.701 1.00 0.70 C ATOM 587 C LEU A 41 -6.809 -10.274 -2.985 1.00 0.65 C ATOM 588 O LEU A 41 -5.838 -10.608 -3.649 1.00 0.71 O ATOM 589 CB LEU A 41 -8.205 -12.146 -2.021 1.00 0.83 C ATOM 590 CG LEU A 41 -8.566 -13.145 -0.886 1.00 1.01 C ATOM 591 CD1 LEU A 41 -9.372 -12.502 0.236 1.00 1.29 C ATOM 592 CD2 LEU A 41 -9.308 -14.344 -1.455 1.00 1.34 C ATOM 0 H LEU A 41 -8.755 -10.170 -0.572 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.336 -11.463 -1.232 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -9.132 -11.691 -2.371 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -7.798 -12.720 -2.853 1.00 0.83 H new ATOM 0 HG LEU A 41 -7.626 -13.476 -0.445 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -9.594 -13.249 0.999 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -8.795 -11.691 0.680 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -10.305 -12.106 -0.166 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -9.555 -15.035 -0.649 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -10.225 -14.008 -1.938 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -8.677 -14.849 -2.186 1.00 1.34 H new ATOM 604 N SER A 42 -7.550 -9.232 -3.259 1.00 0.65 N ATOM 605 CA SER A 42 -7.362 -8.384 -4.400 1.00 0.66 C ATOM 606 C SER A 42 -6.221 -7.355 -4.169 1.00 0.50 C ATOM 607 O SER A 42 -5.703 -6.765 -5.127 1.00 0.47 O ATOM 608 CB SER A 42 -8.672 -7.662 -4.643 1.00 0.84 C ATOM 609 OG SER A 42 -9.745 -8.598 -4.797 1.00 1.26 O ATOM 0 H SER A 42 -8.330 -8.943 -2.669 1.00 0.65 H new ATOM 0 HA SER A 42 -7.075 -8.986 -5.262 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.884 -6.992 -3.810 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.592 -7.043 -5.537 1.00 0.84 H new ATOM 0 HG SER A 42 -9.861 -9.102 -3.965 1.00 1.26 H new ATOM 615 N MET A 43 -5.798 -7.167 -2.906 1.00 0.45 N ATOM 616 CA MET A 43 -4.756 -6.174 -2.573 1.00 0.35 C ATOM 617 C MET A 43 -3.417 -6.600 -3.150 1.00 0.30 C ATOM 618 O MET A 43 -2.525 -5.786 -3.356 1.00 0.27 O ATOM 619 CB MET A 43 -4.603 -5.973 -1.065 1.00 0.39 C ATOM 620 CG MET A 43 -3.773 -4.742 -0.714 1.00 0.47 C ATOM 621 SD MET A 43 -3.131 -4.755 0.956 1.00 0.97 S ATOM 622 CE MET A 43 -1.897 -6.035 0.804 1.00 0.54 C ATOM 0 H MET A 43 -6.157 -7.684 -2.104 1.00 0.45 H new ATOM 0 HA MET A 43 -5.074 -5.228 -3.012 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.591 -5.880 -0.613 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.135 -6.857 -0.631 1.00 0.39 H new ATOM 0 HG2 MET A 43 -2.940 -4.666 -1.413 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.386 -3.851 -0.851 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.987 -6.728 1.640 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.045 -6.574 -0.132 1.00 0.54 H new ATOM 0 HE3 MET A 43 -0.904 -5.586 0.811 1.00 0.54 H new ATOM 632 N VAL A 44 -3.293 -7.871 -3.405 1.00 0.36 N ATOM 633 CA VAL A 44 -2.094 -8.446 -4.009 1.00 0.39 C ATOM 634 C VAL A 44 -1.768 -7.711 -5.320 1.00 0.37 C ATOM 635 O VAL A 44 -0.610 -7.373 -5.590 1.00 0.42 O ATOM 636 CB VAL A 44 -2.284 -9.961 -4.293 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.031 -10.568 -4.917 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.639 -10.694 -3.011 1.00 0.57 C ATOM 0 H VAL A 44 -4.021 -8.556 -3.203 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.268 -8.329 -3.307 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.102 -10.071 -5.005 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.195 -11.629 -5.104 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.812 -10.063 -5.858 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.189 -10.446 -4.235 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.770 -11.755 -3.223 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -1.837 -10.565 -2.284 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.565 -10.288 -2.605 1.00 0.57 H new ATOM 648 N GLU A 45 -2.810 -7.396 -6.085 1.00 0.37 N ATOM 649 CA GLU A 45 -2.643 -6.724 -7.356 1.00 0.38 C ATOM 650 C GLU A 45 -2.106 -5.300 -7.185 1.00 0.31 C ATOM 651 O GLU A 45 -1.398 -4.796 -8.053 1.00 0.37 O ATOM 652 CB GLU A 45 -3.936 -6.708 -8.157 1.00 0.46 C ATOM 653 CG GLU A 45 -4.485 -8.080 -8.477 1.00 0.64 C ATOM 654 CD GLU A 45 -5.631 -8.011 -9.444 1.00 1.21 C ATOM 655 OE1 GLU A 45 -6.784 -7.815 -9.017 1.00 2.06 O ATOM 656 OE2 GLU A 45 -5.398 -8.144 -10.659 1.00 1.31 O ATOM 0 H GLU A 45 -3.779 -7.599 -5.840 1.00 0.37 H new ATOM 0 HA GLU A 45 -1.903 -7.297 -7.914 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.688 -6.149 -7.600 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.765 -6.171 -9.090 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -3.692 -8.700 -8.896 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -4.814 -8.563 -7.557 1.00 0.64 H new ATOM 663 N VAL A 46 -2.425 -4.656 -6.066 1.00 0.30 N ATOM 664 CA VAL A 46 -1.928 -3.323 -5.829 1.00 0.30 C ATOM 665 C VAL A 46 -0.552 -3.343 -5.172 1.00 0.29 C ATOM 666 O VAL A 46 0.296 -2.545 -5.520 1.00 0.39 O ATOM 667 CB VAL A 46 -2.933 -2.393 -5.052 1.00 0.51 C ATOM 668 CG1 VAL A 46 -3.318 -2.934 -3.702 1.00 0.91 C ATOM 669 CG2 VAL A 46 -2.397 -0.979 -4.909 1.00 1.43 C ATOM 0 H VAL A 46 -3.016 -5.035 -5.326 1.00 0.30 H new ATOM 0 HA VAL A 46 -1.823 -2.873 -6.816 1.00 0.30 H new ATOM 0 HB VAL A 46 -3.835 -2.369 -5.663 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -4.012 -2.246 -3.219 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -3.796 -3.906 -3.822 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.426 -3.042 -3.085 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -3.120 -0.369 -4.367 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -1.456 -1.000 -4.359 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -2.230 -0.551 -5.898 1.00 1.43 H new ATOM 679 N VAL A 47 -0.307 -4.288 -4.271 1.00 0.28 N ATOM 680 CA VAL A 47 0.991 -4.340 -3.593 1.00 0.33 C ATOM 681 C VAL A 47 2.137 -4.644 -4.581 1.00 0.31 C ATOM 682 O VAL A 47 3.190 -4.003 -4.533 1.00 0.35 O ATOM 683 CB VAL A 47 1.017 -5.303 -2.354 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.765 -6.748 -2.733 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.323 -5.166 -1.588 1.00 0.53 C ATOM 0 H VAL A 47 -0.969 -5.013 -3.995 1.00 0.28 H new ATOM 0 HA VAL A 47 1.154 -3.341 -3.189 1.00 0.33 H new ATOM 0 HB VAL A 47 0.196 -4.999 -1.704 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.794 -7.369 -1.838 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.214 -6.835 -3.203 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.534 -7.081 -3.431 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.317 -5.843 -0.734 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.157 -5.416 -2.243 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.433 -4.140 -1.236 1.00 0.53 H new ATOM 695 N VAL A 48 1.889 -5.547 -5.531 1.00 0.29 N ATOM 696 CA VAL A 48 2.903 -5.902 -6.527 1.00 0.31 C ATOM 697 C VAL A 48 3.141 -4.725 -7.506 1.00 0.29 C ATOM 698 O VAL A 48 4.216 -4.579 -8.095 1.00 0.35 O ATOM 699 CB VAL A 48 2.534 -7.217 -7.301 1.00 0.37 C ATOM 700 CG1 VAL A 48 1.288 -7.052 -8.160 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.701 -7.740 -8.128 1.00 0.65 C ATOM 0 H VAL A 48 1.003 -6.042 -5.632 1.00 0.29 H new ATOM 0 HA VAL A 48 3.832 -6.099 -5.992 1.00 0.31 H new ATOM 0 HB VAL A 48 2.307 -7.964 -6.540 1.00 0.37 H new ATOM 0 HG11 VAL A 48 1.074 -7.989 -8.675 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.442 -6.785 -7.527 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.454 -6.264 -8.894 1.00 0.61 H new ATOM 0 HG21 VAL A 48 3.400 -8.651 -8.646 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.995 -6.987 -8.859 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.544 -7.957 -7.472 1.00 0.65 H new ATOM 711 N ALA A 49 2.153 -3.860 -7.610 1.00 0.28 N ATOM 712 CA ALA A 49 2.233 -2.692 -8.463 1.00 0.28 C ATOM 713 C ALA A 49 2.895 -1.548 -7.708 1.00 0.27 C ATOM 714 O ALA A 49 3.570 -0.700 -8.284 1.00 0.32 O ATOM 715 CB ALA A 49 0.844 -2.288 -8.920 1.00 0.32 C ATOM 0 H ALA A 49 1.271 -3.947 -7.105 1.00 0.28 H new ATOM 0 HA ALA A 49 2.834 -2.929 -9.341 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.913 -1.409 -9.561 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.391 -3.108 -9.477 1.00 0.32 H new ATOM 0 HB3 ALA A 49 0.228 -2.056 -8.051 1.00 0.32 H new ATOM 721 N ALA A 50 2.724 -1.558 -6.407 1.00 0.27 N ATOM 722 CA ALA A 50 3.254 -0.528 -5.549 1.00 0.30 C ATOM 723 C ALA A 50 4.766 -0.585 -5.491 1.00 0.29 C ATOM 724 O ALA A 50 5.420 0.452 -5.384 1.00 0.32 O ATOM 725 CB ALA A 50 2.650 -0.616 -4.154 1.00 0.36 C ATOM 0 H ALA A 50 2.210 -2.287 -5.912 1.00 0.27 H new ATOM 0 HA ALA A 50 2.975 0.435 -5.976 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.067 0.172 -3.527 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.569 -0.496 -4.218 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.882 -1.588 -3.718 1.00 0.36 H new ATOM 731 N GLU A 51 5.316 -1.793 -5.587 1.00 0.32 N ATOM 732 CA GLU A 51 6.763 -1.988 -5.584 1.00 0.39 C ATOM 733 C GLU A 51 7.404 -1.116 -6.662 1.00 0.39 C ATOM 734 O GLU A 51 8.179 -0.211 -6.378 1.00 0.47 O ATOM 735 CB GLU A 51 7.109 -3.454 -5.854 1.00 0.49 C ATOM 736 CG GLU A 51 6.482 -4.443 -4.895 1.00 0.36 C ATOM 737 CD GLU A 51 6.949 -5.856 -5.154 1.00 0.44 C ATOM 738 OE1 GLU A 51 6.390 -6.519 -6.043 1.00 0.70 O ATOM 739 OE2 GLU A 51 7.855 -6.336 -4.452 1.00 0.78 O ATOM 0 H GLU A 51 4.778 -2.656 -5.668 1.00 0.32 H new ATOM 0 HA GLU A 51 7.146 -1.707 -4.603 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.797 -3.705 -6.868 1.00 0.49 H new ATOM 0 HB3 GLU A 51 8.192 -3.570 -5.816 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.729 -4.162 -3.871 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.397 -4.398 -4.985 1.00 0.36 H new ATOM 746 N GLU A 52 6.998 -1.342 -7.872 1.00 0.36 N ATOM 747 CA GLU A 52 7.531 -0.639 -9.020 1.00 0.41 C ATOM 748 C GLU A 52 7.118 0.838 -9.066 1.00 0.38 C ATOM 749 O GLU A 52 7.912 1.693 -9.466 1.00 0.47 O ATOM 750 CB GLU A 52 7.119 -1.346 -10.294 1.00 0.49 C ATOM 751 CG GLU A 52 5.647 -1.722 -10.333 1.00 0.53 C ATOM 752 CD GLU A 52 5.237 -2.226 -11.665 1.00 0.73 C ATOM 753 OE1 GLU A 52 5.576 -3.371 -12.010 1.00 0.96 O ATOM 754 OE2 GLU A 52 4.521 -1.511 -12.380 1.00 0.94 O ATOM 0 H GLU A 52 6.278 -2.027 -8.104 1.00 0.36 H new ATOM 0 HA GLU A 52 8.617 -0.651 -8.926 1.00 0.41 H new ATOM 0 HB2 GLU A 52 7.344 -0.703 -11.145 1.00 0.49 H new ATOM 0 HB3 GLU A 52 7.719 -2.249 -10.409 1.00 0.49 H new ATOM 0 HG2 GLU A 52 5.448 -2.484 -9.580 1.00 0.53 H new ATOM 0 HG3 GLU A 52 5.044 -0.852 -10.073 1.00 0.53 H new ATOM 761 N ARG A 53 5.898 1.133 -8.638 1.00 0.32 N ATOM 762 CA ARG A 53 5.368 2.492 -8.708 1.00 0.36 C ATOM 763 C ARG A 53 6.133 3.410 -7.744 1.00 0.35 C ATOM 764 O ARG A 53 6.437 4.555 -8.068 1.00 0.48 O ATOM 765 CB ARG A 53 3.851 2.493 -8.368 1.00 0.46 C ATOM 766 CG ARG A 53 3.002 3.596 -9.047 1.00 1.11 C ATOM 767 CD ARG A 53 3.433 5.011 -8.693 1.00 1.21 C ATOM 768 NE ARG A 53 2.678 6.029 -9.435 1.00 2.17 N ATOM 769 CZ ARG A 53 3.226 7.097 -10.045 1.00 2.78 C ATOM 770 NH1 ARG A 53 4.546 7.235 -10.075 1.00 2.79 N ATOM 771 NH2 ARG A 53 2.457 7.992 -10.659 1.00 3.85 N ATOM 0 H ARG A 53 5.255 0.450 -8.238 1.00 0.32 H new ATOM 0 HA ARG A 53 5.498 2.869 -9.723 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.437 1.523 -8.643 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.741 2.592 -7.288 1.00 0.46 H new ATOM 0 HG2 ARG A 53 3.058 3.470 -10.128 1.00 1.11 H new ATOM 0 HG3 ARG A 53 1.958 3.463 -8.764 1.00 1.11 H new ATOM 0 HD2 ARG A 53 3.299 5.172 -7.623 1.00 1.21 H new ATOM 0 HD3 ARG A 53 4.496 5.127 -8.902 1.00 1.21 H new ATOM 0 HE ARG A 53 1.666 5.919 -9.492 1.00 2.17 H new ATOM 0 HH11 ARG A 53 5.142 6.533 -9.637 1.00 2.79 H new ATOM 0 HH12 ARG A 53 4.964 8.043 -10.536 1.00 2.79 H new ATOM 0 HH21 ARG A 53 1.444 7.872 -10.670 1.00 3.85 H new ATOM 0 HH22 ARG A 53 2.880 8.798 -11.119 1.00 3.85 H new ATOM 785 N PHE A 54 6.474 2.896 -6.583 1.00 0.29 N ATOM 786 CA PHE A 54 7.098 3.722 -5.563 1.00 0.30 C ATOM 787 C PHE A 54 8.586 3.482 -5.442 1.00 0.33 C ATOM 788 O PHE A 54 9.204 3.918 -4.460 1.00 0.40 O ATOM 789 CB PHE A 54 6.413 3.508 -4.226 1.00 0.31 C ATOM 790 CG PHE A 54 4.980 3.843 -4.324 1.00 0.30 C ATOM 791 CD1 PHE A 54 4.585 5.140 -4.577 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.028 2.863 -4.229 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.268 5.440 -4.724 1.00 0.39 C ATOM 794 CE2 PHE A 54 2.714 3.156 -4.384 1.00 0.38 C ATOM 795 CZ PHE A 54 2.333 4.439 -4.628 1.00 0.37 C ATOM 0 H PHE A 54 6.333 1.921 -6.319 1.00 0.29 H new ATOM 0 HA PHE A 54 6.975 4.760 -5.873 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.530 2.471 -3.912 1.00 0.31 H new ATOM 0 HB3 PHE A 54 6.887 4.127 -3.464 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.326 5.921 -4.659 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.328 1.845 -4.028 1.00 0.35 H new ATOM 0 HE1 PHE A 54 2.959 6.457 -4.915 1.00 0.39 H new ATOM 0 HE2 PHE A 54 1.972 2.374 -4.314 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.285 4.672 -4.747 1.00 0.37 H new ATOM 805 N ASP A 55 9.155 2.811 -6.450 1.00 0.36 N ATOM 806 CA ASP A 55 10.610 2.517 -6.528 1.00 0.44 C ATOM 807 C ASP A 55 11.055 1.710 -5.315 1.00 0.46 C ATOM 808 O ASP A 55 12.045 2.032 -4.653 1.00 0.77 O ATOM 809 CB ASP A 55 11.467 3.806 -6.608 1.00 0.53 C ATOM 810 CG ASP A 55 11.177 4.703 -7.783 1.00 1.14 C ATOM 811 OD1 ASP A 55 11.660 4.408 -8.904 1.00 1.23 O ATOM 812 OD2 ASP A 55 10.412 5.681 -7.649 1.00 1.95 O ATOM 0 H ASP A 55 8.625 2.450 -7.244 1.00 0.36 H new ATOM 0 HA ASP A 55 10.763 1.944 -7.442 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.320 4.377 -5.691 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.519 3.521 -6.641 1.00 0.53 H new ATOM 817 N VAL A 56 10.348 0.666 -5.021 1.00 0.35 N ATOM 818 CA VAL A 56 10.648 -0.128 -3.871 1.00 0.40 C ATOM 819 C VAL A 56 10.444 -1.624 -4.210 1.00 0.52 C ATOM 820 O VAL A 56 10.259 -1.977 -5.377 1.00 1.14 O ATOM 821 CB VAL A 56 9.773 0.343 -2.645 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.292 0.015 -2.818 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.321 -0.126 -1.292 1.00 1.37 C ATOM 0 H VAL A 56 9.551 0.340 -5.567 1.00 0.35 H new ATOM 0 HA VAL A 56 11.691 0.003 -3.584 1.00 0.40 H new ATOM 0 HB VAL A 56 9.850 1.430 -2.635 1.00 0.55 H new ATOM 0 HG11 VAL A 56 7.738 0.361 -1.945 1.00 1.00 H new ATOM 0 HG12 VAL A 56 7.911 0.512 -3.710 1.00 1.00 H new ATOM 0 HG13 VAL A 56 8.168 -1.063 -2.922 1.00 1.00 H new ATOM 0 HG21 VAL A 56 9.672 0.232 -0.493 1.00 1.37 H new ATOM 0 HG22 VAL A 56 10.355 -1.215 -1.271 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.326 0.271 -1.149 1.00 1.37 H new ATOM 833 N LYS A 57 10.476 -2.462 -3.225 1.00 0.41 N ATOM 834 CA LYS A 57 10.244 -3.858 -3.367 1.00 0.40 C ATOM 835 C LYS A 57 9.560 -4.246 -2.080 1.00 0.45 C ATOM 836 O LYS A 57 9.983 -3.801 -1.009 1.00 0.67 O ATOM 837 CB LYS A 57 11.600 -4.605 -3.556 1.00 0.57 C ATOM 838 CG LYS A 57 11.501 -6.053 -4.069 1.00 1.30 C ATOM 839 CD LYS A 57 10.883 -7.007 -3.059 1.00 1.77 C ATOM 840 CE LYS A 57 10.586 -8.357 -3.674 1.00 2.45 C ATOM 841 NZ LYS A 57 9.678 -8.240 -4.837 1.00 3.34 N ATOM 0 H LYS A 57 10.672 -2.180 -2.265 1.00 0.41 H new ATOM 0 HA LYS A 57 9.639 -4.114 -4.237 1.00 0.40 H new ATOM 0 HB2 LYS A 57 12.214 -4.034 -4.252 1.00 0.57 H new ATOM 0 HB3 LYS A 57 12.125 -4.613 -2.601 1.00 0.57 H new ATOM 0 HG2 LYS A 57 10.907 -6.068 -4.983 1.00 1.30 H new ATOM 0 HG3 LYS A 57 12.498 -6.408 -4.331 1.00 1.30 H new ATOM 0 HD2 LYS A 57 11.561 -7.133 -2.215 1.00 1.77 H new ATOM 0 HD3 LYS A 57 9.962 -6.575 -2.667 1.00 1.77 H new ATOM 0 HE2 LYS A 57 11.518 -8.828 -3.986 1.00 2.45 H new ATOM 0 HE3 LYS A 57 10.135 -9.007 -2.924 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 9.047 -9.066 -4.870 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 9.109 -7.374 -4.748 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 10.238 -8.197 -5.712 1.00 3.34 H new ATOM 855 N ILE A 58 8.495 -4.992 -2.168 1.00 0.36 N ATOM 856 CA ILE A 58 7.746 -5.376 -1.000 1.00 0.42 C ATOM 857 C ILE A 58 7.514 -6.880 -1.043 1.00 0.46 C ATOM 858 O ILE A 58 6.643 -7.358 -1.776 1.00 0.52 O ATOM 859 CB ILE A 58 6.368 -4.640 -0.906 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.540 -3.117 -1.069 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.716 -4.937 0.446 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.236 -2.345 -1.122 1.00 0.57 C ATOM 0 H ILE A 58 8.121 -5.351 -3.046 1.00 0.36 H new ATOM 0 HA ILE A 58 8.324 -5.093 -0.121 1.00 0.42 H new ATOM 0 HB ILE A 58 5.732 -5.004 -1.713 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.139 -2.740 -0.240 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.102 -2.922 -1.983 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.757 -4.423 0.508 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.559 -6.011 0.546 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.367 -4.589 1.248 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.447 -1.282 -1.238 1.00 0.57 H new ATOM 0 HD12 ILE A 58 4.642 -2.691 -1.968 1.00 0.57 H new ATOM 0 HD13 ILE A 58 4.680 -2.506 -0.198 1.00 0.57 H new ATOM 874 N PRO A 59 8.345 -7.649 -0.326 1.00 0.47 N ATOM 875 CA PRO A 59 8.223 -9.099 -0.262 1.00 0.53 C ATOM 876 C PRO A 59 6.884 -9.508 0.330 1.00 0.53 C ATOM 877 O PRO A 59 6.480 -9.001 1.387 1.00 0.46 O ATOM 878 CB PRO A 59 9.371 -9.526 0.659 1.00 0.59 C ATOM 879 CG PRO A 59 9.756 -8.301 1.390 1.00 0.63 C ATOM 880 CD PRO A 59 9.465 -7.162 0.474 1.00 0.50 C ATOM 0 HA PRO A 59 8.273 -9.565 -1.246 1.00 0.53 H new ATOM 0 HB2 PRO A 59 9.054 -10.311 1.345 1.00 0.59 H new ATOM 0 HB3 PRO A 59 10.209 -9.923 0.086 1.00 0.59 H new ATOM 0 HG2 PRO A 59 9.192 -8.208 2.318 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.812 -8.324 1.659 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.202 -6.260 1.026 1.00 0.50 H new ATOM 0 HD3 PRO A 59 10.326 -6.916 -0.148 1.00 0.50 H new ATOM 888 N ASP A 60 6.213 -10.422 -0.347 1.00 0.68 N ATOM 889 CA ASP A 60 4.872 -10.906 0.032 1.00 0.77 C ATOM 890 C ASP A 60 4.806 -11.387 1.492 1.00 0.70 C ATOM 891 O ASP A 60 3.781 -11.217 2.168 1.00 0.69 O ATOM 892 CB ASP A 60 4.413 -12.007 -0.928 1.00 1.08 C ATOM 893 CG ASP A 60 3.052 -12.578 -0.584 1.00 1.50 C ATOM 894 OD1 ASP A 60 2.962 -13.535 0.215 1.00 2.30 O ATOM 895 OD2 ASP A 60 2.034 -12.064 -1.089 1.00 1.84 O ATOM 0 H ASP A 60 6.579 -10.864 -1.191 1.00 0.68 H new ATOM 0 HA ASP A 60 4.190 -10.059 -0.046 1.00 0.77 H new ATOM 0 HB2 ASP A 60 4.385 -11.606 -1.941 1.00 1.08 H new ATOM 0 HB3 ASP A 60 5.148 -12.812 -0.924 1.00 1.08 H new ATOM 900 N ASP A 61 5.909 -11.939 1.988 1.00 0.75 N ATOM 901 CA ASP A 61 5.972 -12.403 3.385 1.00 0.85 C ATOM 902 C ASP A 61 5.868 -11.236 4.360 1.00 0.71 C ATOM 903 O ASP A 61 5.272 -11.359 5.434 1.00 0.79 O ATOM 904 CB ASP A 61 7.265 -13.213 3.697 1.00 1.13 C ATOM 905 CG ASP A 61 8.567 -12.397 3.660 1.00 1.80 C ATOM 906 OD1 ASP A 61 8.879 -11.674 4.636 1.00 2.31 O ATOM 907 OD2 ASP A 61 9.309 -12.489 2.662 1.00 2.38 O ATOM 0 H ASP A 61 6.768 -12.079 1.456 1.00 0.75 H new ATOM 0 HA ASP A 61 5.118 -13.068 3.513 1.00 0.85 H new ATOM 0 HB2 ASP A 61 7.164 -13.664 4.684 1.00 1.13 H new ATOM 0 HB3 ASP A 61 7.346 -14.030 2.980 1.00 1.13 H new ATOM 912 N ASP A 62 6.418 -10.099 3.977 1.00 0.60 N ATOM 913 CA ASP A 62 6.462 -8.949 4.858 1.00 0.62 C ATOM 914 C ASP A 62 5.178 -8.152 4.721 1.00 0.51 C ATOM 915 O ASP A 62 4.775 -7.438 5.632 1.00 0.61 O ATOM 916 CB ASP A 62 7.706 -8.091 4.571 1.00 0.74 C ATOM 917 CG ASP A 62 8.134 -7.253 5.762 1.00 0.82 C ATOM 918 OD1 ASP A 62 8.040 -7.709 6.903 1.00 1.17 O ATOM 919 OD2 ASP A 62 8.475 -6.059 5.569 1.00 1.52 O ATOM 0 H ASP A 62 6.841 -9.948 3.061 1.00 0.60 H new ATOM 0 HA ASP A 62 6.541 -9.287 5.891 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.529 -8.741 4.276 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.501 -7.434 3.726 1.00 0.74 H new ATOM 924 N VAL A 63 4.521 -8.326 3.570 1.00 0.43 N ATOM 925 CA VAL A 63 3.213 -7.721 3.281 1.00 0.46 C ATOM 926 C VAL A 63 2.218 -8.103 4.377 1.00 0.46 C ATOM 927 O VAL A 63 1.695 -7.241 5.075 1.00 0.55 O ATOM 928 CB VAL A 63 2.665 -8.212 1.904 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.255 -7.700 1.649 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.571 -7.767 0.779 1.00 0.73 C ATOM 0 H VAL A 63 4.883 -8.895 2.805 1.00 0.43 H new ATOM 0 HA VAL A 63 3.337 -6.639 3.246 1.00 0.46 H new ATOM 0 HB VAL A 63 2.638 -9.301 1.938 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.906 -8.061 0.682 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.589 -8.061 2.433 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.258 -6.610 1.649 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.171 -8.120 -0.172 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.629 -6.679 0.767 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.568 -8.181 0.929 1.00 0.73 H new ATOM 940 N LYS A 64 2.015 -9.415 4.556 1.00 0.46 N ATOM 941 CA LYS A 64 1.054 -9.945 5.544 1.00 0.55 C ATOM 942 C LYS A 64 1.417 -9.536 6.982 1.00 0.54 C ATOM 943 O LYS A 64 0.593 -9.636 7.895 1.00 0.63 O ATOM 944 CB LYS A 64 0.991 -11.481 5.504 1.00 0.68 C ATOM 945 CG LYS A 64 0.668 -12.123 4.161 1.00 0.77 C ATOM 946 CD LYS A 64 0.458 -13.623 4.363 1.00 0.99 C ATOM 947 CE LYS A 64 0.271 -14.399 3.065 1.00 1.17 C ATOM 948 NZ LYS A 64 1.492 -14.434 2.242 1.00 1.24 N ATOM 0 H LYS A 64 2.505 -10.137 4.027 1.00 0.46 H new ATOM 0 HA LYS A 64 0.089 -9.518 5.271 1.00 0.55 H new ATOM 0 HB2 LYS A 64 1.952 -11.869 5.843 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.242 -11.809 6.225 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.228 -11.672 3.734 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.480 -11.948 3.455 1.00 0.77 H new ATOM 0 HD2 LYS A 64 1.315 -14.031 4.899 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.416 -13.776 4.996 1.00 0.99 H new ATOM 0 HE2 LYS A 64 -0.035 -15.419 3.297 1.00 1.17 H new ATOM 0 HE3 LYS A 64 -0.537 -13.947 2.490 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 1.582 -15.368 1.794 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 1.436 -13.701 1.507 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 2.322 -14.258 2.844 1.00 1.24 H new ATOM 962 N ASN A 65 2.638 -9.091 7.178 1.00 0.50 N ATOM 963 CA ASN A 65 3.123 -8.740 8.496 1.00 0.56 C ATOM 964 C ASN A 65 2.738 -7.302 8.853 1.00 0.52 C ATOM 965 O ASN A 65 2.625 -6.955 10.031 1.00 0.65 O ATOM 966 CB ASN A 65 4.646 -8.950 8.571 1.00 0.64 C ATOM 967 CG ASN A 65 5.234 -8.710 9.953 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.662 -7.592 10.291 1.00 1.95 O ATOM 969 ND2 ASN A 65 5.261 -9.736 10.761 1.00 2.07 N ATOM 0 H ASN A 65 3.321 -8.962 6.432 1.00 0.50 H new ATOM 0 HA ASN A 65 2.653 -9.394 9.230 1.00 0.56 H new ATOM 0 HB2 ASN A 65 4.878 -9.969 8.260 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.131 -8.281 7.860 1.00 0.64 H new ATOM 0 HD21 ASN A 65 5.642 -9.634 11.702 1.00 2.07 H new ATOM 0 HD22 ASN A 65 4.901 -10.639 10.451 1.00 2.07 H new ATOM 976 N LEU A 66 2.492 -6.489 7.844 1.00 0.43 N ATOM 977 CA LEU A 66 2.124 -5.083 8.034 1.00 0.43 C ATOM 978 C LEU A 66 0.614 -4.953 8.113 1.00 0.43 C ATOM 979 O LEU A 66 -0.073 -5.967 8.137 1.00 0.47 O ATOM 980 CB LEU A 66 2.676 -4.244 6.887 1.00 0.44 C ATOM 981 CG LEU A 66 4.194 -4.286 6.703 1.00 0.50 C ATOM 982 CD1 LEU A 66 4.587 -3.371 5.589 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.911 -3.884 7.982 1.00 0.60 C ATOM 0 H LEU A 66 2.539 -6.776 6.866 1.00 0.43 H new ATOM 0 HA LEU A 66 2.553 -4.719 8.968 1.00 0.43 H new ATOM 0 HB2 LEU A 66 2.207 -4.576 5.961 1.00 0.44 H new ATOM 0 HB3 LEU A 66 2.376 -3.208 7.043 1.00 0.44 H new ATOM 0 HG LEU A 66 4.485 -5.308 6.459 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.669 -3.401 5.458 1.00 0.57 H new ATOM 0 HD12 LEU A 66 4.101 -3.690 4.667 1.00 0.57 H new ATOM 0 HD13 LEU A 66 4.279 -2.353 5.828 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.989 -3.923 7.823 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.621 -2.870 8.258 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.638 -4.571 8.783 1.00 0.60 H new ATOM 995 N LYS A 67 0.089 -3.732 8.205 1.00 0.45 N ATOM 996 CA LYS A 67 -1.360 -3.565 8.258 1.00 0.50 C ATOM 997 C LYS A 67 -1.904 -2.272 7.623 1.00 0.43 C ATOM 998 O LYS A 67 -2.607 -2.326 6.608 1.00 0.52 O ATOM 999 CB LYS A 67 -1.916 -3.782 9.665 1.00 0.64 C ATOM 1000 CG LYS A 67 -1.374 -2.870 10.752 1.00 0.85 C ATOM 1001 CD LYS A 67 -2.119 -3.147 12.053 1.00 0.88 C ATOM 1002 CE LYS A 67 -3.626 -2.919 11.866 1.00 1.86 C ATOM 1003 NZ LYS A 67 -4.421 -3.425 12.995 1.00 2.69 N ATOM 0 H LYS A 67 0.628 -2.867 8.243 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.736 -4.360 7.615 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -2.999 -3.663 9.627 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.719 -4.814 9.955 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -0.306 -3.040 10.887 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -1.497 -1.826 10.463 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -1.937 -4.173 12.372 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -1.741 -2.496 12.841 1.00 0.88 H new ATOM 0 HE2 LYS A 67 -3.815 -1.853 11.743 1.00 1.86 H new ATOM 0 HE3 LYS A 67 -3.952 -3.409 10.949 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 -5.430 -3.246 12.817 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 -4.264 -4.448 13.099 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -4.132 -2.940 13.868 1.00 2.69 H new ATOM 1017 N THR A 68 -1.610 -1.126 8.211 1.00 0.37 N ATOM 1018 CA THR A 68 -2.143 0.117 7.716 1.00 0.35 C ATOM 1019 C THR A 68 -1.237 0.666 6.638 1.00 0.32 C ATOM 1020 O THR A 68 -0.162 0.121 6.399 1.00 0.33 O ATOM 1021 CB THR A 68 -2.290 1.155 8.855 1.00 0.38 C ATOM 1022 OG1 THR A 68 -1.012 1.347 9.475 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.277 0.669 9.904 1.00 0.46 C ATOM 0 H THR A 68 -1.007 -1.037 9.029 1.00 0.37 H new ATOM 0 HA THR A 68 -3.132 -0.076 7.302 1.00 0.35 H new ATOM 0 HB THR A 68 -2.658 2.090 8.433 1.00 0.38 H new ATOM 0 HG1 THR A 68 -1.094 2.004 10.197 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.364 1.414 10.695 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.252 0.514 9.442 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.923 -0.271 10.329 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.614 1.761 6.030 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.778 2.361 5.032 1.00 0.33 C ATOM 1033 C VAL A 69 0.343 3.152 5.703 1.00 0.34 C ATOM 1034 O VAL A 69 1.376 3.408 5.111 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.558 3.235 4.009 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.641 2.423 3.315 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.169 4.439 4.670 1.00 0.56 C ATOM 0 H VAL A 69 -2.491 2.251 6.210 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.348 1.549 4.446 1.00 0.33 H new ATOM 0 HB VAL A 69 -0.841 3.578 3.263 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.172 3.057 2.605 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.185 1.587 2.785 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.343 2.043 4.057 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.707 5.028 3.927 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.862 4.115 5.447 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.382 5.048 5.116 1.00 0.56 H new ATOM 1047 N GLY A 70 0.147 3.482 6.970 1.00 0.36 N ATOM 1048 CA GLY A 70 1.174 4.133 7.749 1.00 0.38 C ATOM 1049 C GLY A 70 2.175 3.119 8.234 1.00 0.39 C ATOM 1050 O GLY A 70 3.364 3.416 8.414 1.00 0.46 O ATOM 0 H GLY A 70 -0.720 3.306 7.477 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.675 4.890 7.145 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.726 4.648 8.598 1.00 0.38 H new ATOM 1054 N ASP A 71 1.698 1.916 8.445 1.00 0.42 N ATOM 1055 CA ASP A 71 2.550 0.807 8.832 1.00 0.50 C ATOM 1056 C ASP A 71 3.304 0.325 7.594 1.00 0.49 C ATOM 1057 O ASP A 71 4.462 -0.074 7.665 1.00 0.58 O ATOM 1058 CB ASP A 71 1.686 -0.320 9.422 1.00 0.62 C ATOM 1059 CG ASP A 71 2.463 -1.453 10.019 1.00 0.82 C ATOM 1060 OD1 ASP A 71 3.250 -1.232 10.956 1.00 1.00 O ATOM 1061 OD2 ASP A 71 2.261 -2.580 9.610 1.00 1.62 O ATOM 0 H ASP A 71 0.711 1.674 8.355 1.00 0.42 H new ATOM 0 HA ASP A 71 3.268 1.118 9.591 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.036 0.102 10.189 1.00 0.62 H new ATOM 0 HB3 ASP A 71 1.040 -0.713 8.637 1.00 0.62 H new ATOM 1066 N ALA A 72 2.641 0.466 6.444 1.00 0.43 N ATOM 1067 CA ALA A 72 3.164 0.051 5.150 1.00 0.48 C ATOM 1068 C ALA A 72 4.238 0.985 4.660 1.00 0.44 C ATOM 1069 O ALA A 72 5.317 0.551 4.241 1.00 0.47 O ATOM 1070 CB ALA A 72 2.045 -0.008 4.127 1.00 0.51 C ATOM 0 H ALA A 72 1.710 0.879 6.390 1.00 0.43 H new ATOM 0 HA ALA A 72 3.602 -0.939 5.277 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.449 -0.319 3.164 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.291 -0.724 4.453 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.590 0.978 4.028 1.00 0.51 H new ATOM 1076 N THR A 73 3.956 2.275 4.724 1.00 0.40 N ATOM 1077 CA THR A 73 4.864 3.280 4.247 1.00 0.39 C ATOM 1078 C THR A 73 6.187 3.274 4.974 1.00 0.39 C ATOM 1079 O THR A 73 7.186 3.675 4.422 1.00 0.41 O ATOM 1080 CB THR A 73 4.255 4.678 4.295 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.602 4.882 5.553 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.283 4.889 3.166 1.00 0.46 C ATOM 0 H THR A 73 3.088 2.646 5.110 1.00 0.40 H new ATOM 0 HA THR A 73 5.055 3.018 3.206 1.00 0.39 H new ATOM 0 HB THR A 73 5.060 5.404 4.184 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.697 4.509 5.516 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.866 5.894 3.228 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.800 4.768 2.214 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.478 4.157 3.237 1.00 0.46 H new ATOM 1090 N LYS A 74 6.189 2.744 6.182 1.00 0.47 N ATOM 1091 CA LYS A 74 7.387 2.688 6.987 1.00 0.53 C ATOM 1092 C LYS A 74 8.379 1.676 6.390 1.00 0.48 C ATOM 1093 O LYS A 74 9.578 1.812 6.545 1.00 0.55 O ATOM 1094 CB LYS A 74 7.039 2.346 8.445 1.00 0.65 C ATOM 1095 CG LYS A 74 8.229 2.385 9.390 1.00 1.26 C ATOM 1096 CD LYS A 74 7.831 2.092 10.822 1.00 1.88 C ATOM 1097 CE LYS A 74 9.040 2.120 11.745 1.00 2.66 C ATOM 1098 NZ LYS A 74 10.028 1.064 11.413 1.00 3.54 N ATOM 0 H LYS A 74 5.364 2.343 6.628 1.00 0.47 H new ATOM 0 HA LYS A 74 7.865 3.668 6.984 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.282 3.045 8.801 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.594 1.351 8.478 1.00 0.65 H new ATOM 0 HG2 LYS A 74 8.973 1.658 9.065 1.00 1.26 H new ATOM 0 HG3 LYS A 74 8.700 3.367 9.339 1.00 1.26 H new ATOM 0 HD2 LYS A 74 7.098 2.826 11.156 1.00 1.88 H new ATOM 0 HD3 LYS A 74 7.351 1.115 10.876 1.00 1.88 H new ATOM 0 HE2 LYS A 74 9.520 3.096 11.681 1.00 2.66 H new ATOM 0 HE3 LYS A 74 8.710 1.994 12.776 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 10.706 0.965 12.195 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 9.534 0.160 11.266 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 10.537 1.325 10.544 1.00 3.54 H new ATOM 1112 N TYR A 75 7.867 0.685 5.682 1.00 0.45 N ATOM 1113 CA TYR A 75 8.725 -0.285 5.023 1.00 0.44 C ATOM 1114 C TYR A 75 9.165 0.260 3.669 1.00 0.40 C ATOM 1115 O TYR A 75 10.358 0.233 3.309 1.00 0.48 O ATOM 1116 CB TYR A 75 8.005 -1.635 4.841 1.00 0.49 C ATOM 1117 CG TYR A 75 8.858 -2.649 4.119 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.955 -3.195 4.738 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.588 -3.033 2.815 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.767 -4.082 4.096 1.00 0.77 C ATOM 1121 CE2 TYR A 75 9.401 -3.939 2.166 1.00 0.61 C ATOM 1122 CZ TYR A 75 10.494 -4.456 2.820 1.00 0.69 C ATOM 1123 OH TYR A 75 11.341 -5.332 2.179 1.00 0.83 O ATOM 0 H TYR A 75 6.868 0.531 5.549 1.00 0.45 H new ATOM 0 HA TYR A 75 9.599 -0.454 5.651 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.725 -2.029 5.818 1.00 0.49 H new ATOM 0 HB3 TYR A 75 7.081 -1.479 4.284 1.00 0.49 H new ATOM 0 HD1 TYR A 75 10.180 -2.915 5.757 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.733 -2.619 2.302 1.00 0.52 H new ATOM 0 HE1 TYR A 75 11.629 -4.488 4.604 1.00 0.77 H new ATOM 0 HE2 TYR A 75 9.181 -4.240 1.152 1.00 0.61 H new ATOM 0 HH TYR A 75 11.755 -5.928 2.838 1.00 0.83 H new ATOM 1133 N ILE A 76 8.197 0.765 2.940 1.00 0.37 N ATOM 1134 CA ILE A 76 8.392 1.331 1.610 1.00 0.43 C ATOM 1135 C ILE A 76 9.422 2.465 1.660 1.00 0.52 C ATOM 1136 O ILE A 76 10.438 2.429 0.957 1.00 0.65 O ATOM 1137 CB ILE A 76 7.041 1.863 1.087 1.00 0.45 C ATOM 1138 CG1 ILE A 76 6.022 0.716 1.060 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.201 2.473 -0.304 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.619 1.145 0.728 1.00 0.55 C ATOM 0 H ILE A 76 7.228 0.798 3.255 1.00 0.37 H new ATOM 0 HA ILE A 76 8.766 0.558 0.938 1.00 0.43 H new ATOM 0 HB ILE A 76 6.683 2.647 1.754 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.346 -0.025 0.329 1.00 0.48 H new ATOM 0 HG13 ILE A 76 6.019 0.225 2.033 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.236 2.841 -0.653 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.911 3.299 -0.260 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.571 1.714 -0.994 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.962 0.275 0.730 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.272 1.863 1.472 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.604 1.609 -0.258 1.00 0.55 H new ATOM 1152 N LEU A 77 9.162 3.442 2.511 1.00 0.52 N ATOM 1153 CA LEU A 77 10.019 4.600 2.680 1.00 0.71 C ATOM 1154 C LEU A 77 11.380 4.212 3.266 1.00 0.78 C ATOM 1155 O LEU A 77 12.378 4.912 3.064 1.00 0.96 O ATOM 1156 CB LEU A 77 9.321 5.616 3.567 1.00 0.86 C ATOM 1157 CG LEU A 77 10.062 6.907 3.909 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.353 7.717 2.654 1.00 1.74 C ATOM 1159 CD2 LEU A 77 9.243 7.717 4.901 1.00 0.99 C ATOM 0 H LEU A 77 8.338 3.452 3.112 1.00 0.52 H new ATOM 0 HA LEU A 77 10.206 5.041 1.701 1.00 0.71 H new ATOM 0 HB2 LEU A 77 8.382 5.889 3.085 1.00 0.86 H new ATOM 0 HB3 LEU A 77 9.066 5.120 4.504 1.00 0.86 H new ATOM 0 HG LEU A 77 11.019 6.654 4.364 1.00 0.88 H new ATOM 0 HD11 LEU A 77 10.881 8.631 2.925 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.971 7.128 1.976 1.00 1.74 H new ATOM 0 HD13 LEU A 77 9.415 7.973 2.160 1.00 1.74 H new ATOM 0 HD21 LEU A 77 9.773 8.638 5.144 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.276 7.960 4.461 1.00 0.99 H new ATOM 0 HD23 LEU A 77 9.092 7.134 5.810 1.00 0.99 H new ATOM 1171 N ASP A 78 11.427 3.092 3.964 1.00 0.71 N ATOM 1172 CA ASP A 78 12.682 2.635 4.561 1.00 0.84 C ATOM 1173 C ASP A 78 13.654 2.153 3.508 1.00 0.94 C ATOM 1174 O ASP A 78 14.843 2.464 3.561 1.00 1.09 O ATOM 1175 CB ASP A 78 12.472 1.546 5.606 1.00 0.91 C ATOM 1176 CG ASP A 78 13.781 1.012 6.140 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.469 1.732 6.890 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.144 -0.137 5.830 1.00 1.26 O ATOM 0 H ASP A 78 10.625 2.484 4.134 1.00 0.71 H new ATOM 0 HA ASP A 78 13.107 3.503 5.065 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.880 1.944 6.430 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.899 0.729 5.168 1.00 0.91 H new ATOM 1183 N HIS A 79 13.160 1.412 2.537 1.00 0.95 N ATOM 1184 CA HIS A 79 14.048 0.917 1.496 1.00 1.20 C ATOM 1185 C HIS A 79 14.244 1.964 0.405 1.00 1.33 C ATOM 1186 O HIS A 79 15.337 2.494 0.270 1.00 1.91 O ATOM 1187 CB HIS A 79 13.565 -0.427 0.910 1.00 1.28 C ATOM 1188 CG HIS A 79 13.785 -1.628 1.813 1.00 1.67 C ATOM 1189 ND1 HIS A 79 14.515 -2.726 1.426 1.00 2.09 N ATOM 1190 CD2 HIS A 79 13.350 -1.904 3.071 1.00 2.48 C ATOM 1191 CE1 HIS A 79 14.521 -3.622 2.389 1.00 2.64 C ATOM 1192 NE2 HIS A 79 13.827 -3.151 3.397 1.00 2.89 N ATOM 0 H HIS A 79 12.180 1.144 2.443 1.00 0.95 H new ATOM 0 HA HIS A 79 15.016 0.727 1.959 1.00 1.20 H new ATOM 0 HB2 HIS A 79 12.501 -0.349 0.685 1.00 1.28 H new ATOM 0 HB3 HIS A 79 14.079 -0.601 -0.035 1.00 1.28 H new ATOM 0 HD2 HIS A 79 12.744 -1.264 3.696 1.00 2.48 H new ATOM 0 HE1 HIS A 79 15.014 -4.582 2.355 1.00 2.64 H new ATOM 0 HE2 HIS A 79 13.667 -3.633 4.282 1.00 2.89 H new ATOM 1201 N GLN A 80 13.156 2.335 -0.280 1.00 0.98 N ATOM 1202 CA GLN A 80 13.150 3.369 -1.354 1.00 1.13 C ATOM 1203 C GLN A 80 14.235 3.262 -2.448 1.00 1.30 C ATOM 1204 O GLN A 80 15.118 2.372 -2.446 1.00 1.51 O ATOM 1205 CB GLN A 80 13.135 4.784 -0.766 1.00 1.35 C ATOM 1206 CG GLN A 80 11.775 5.203 -0.287 1.00 1.44 C ATOM 1207 CD GLN A 80 10.785 5.260 -1.429 1.00 1.52 C ATOM 1208 OE1 GLN A 80 11.147 5.557 -2.566 1.00 2.23 O ATOM 1209 NE2 GLN A 80 9.562 4.951 -1.157 1.00 1.50 N ATOM 0 H GLN A 80 12.236 1.928 -0.111 1.00 0.98 H new ATOM 0 HA GLN A 80 12.221 3.155 -1.882 1.00 1.13 H new ATOM 0 HB2 GLN A 80 13.839 4.834 0.065 1.00 1.35 H new ATOM 0 HB3 GLN A 80 13.482 5.489 -1.521 1.00 1.35 H new ATOM 0 HG2 GLN A 80 11.421 4.502 0.469 1.00 1.44 H new ATOM 0 HG3 GLN A 80 11.840 6.181 0.190 1.00 1.44 H new ATOM 0 HE21 GLN A 80 9.297 4.710 -0.202 1.00 1.50 H new ATOM 0 HE22 GLN A 80 8.860 4.948 -1.897 1.00 1.50 H new ATOM 1218 N ALA A 81 14.096 4.145 -3.411 1.00 1.65 N ATOM 1219 CA ALA A 81 15.033 4.361 -4.478 1.00 2.08 C ATOM 1220 C ALA A 81 14.756 5.749 -5.025 1.00 2.73 C ATOM 1221 O ALA A 81 14.065 5.884 -6.026 1.00 3.38 O ATOM 1222 CB ALA A 81 14.901 3.302 -5.575 1.00 2.49 C ATOM 1223 OXT ALA A 81 15.145 6.737 -4.364 1.00 3.20 O ATOM 0 H ALA A 81 13.284 4.760 -3.469 1.00 1.65 H new ATOM 0 HA ALA A 81 16.055 4.281 -4.107 1.00 2.08 H new ATOM 0 HB1 ALA A 81 15.627 3.502 -6.363 1.00 2.49 H new ATOM 0 HB2 ALA A 81 15.087 2.315 -5.152 1.00 2.49 H new ATOM 0 HB3 ALA A 81 13.895 3.334 -5.993 1.00 2.49 H new TER 1229 ALA A 81 HETATM 1230 P24 SXO A 101 -9.011 -10.346 3.422 1.00 1.38 P HETATM 1231 O26 SXO A 101 -8.577 -9.456 4.531 1.00 1.59 O HETATM 1232 O23 SXO A 101 -10.459 -10.584 3.210 1.00 1.70 O HETATM 1233 O27 SXO A 101 -8.309 -11.742 3.640 1.00 1.28 O HETATM 1234 C28 SXO A 101 -6.828 -11.772 3.693 1.00 1.09 C HETATM 1235 C29 SXO A 101 -6.338 -13.122 4.233 1.00 1.13 C HETATM 1236 C30 SXO A 101 -7.078 -13.352 5.495 1.00 1.57 C HETATM 1237 C31 SXO A 101 -6.661 -14.221 3.231 1.00 1.26 C HETATM 1238 C32 SXO A 101 -4.781 -13.120 4.572 1.00 1.44 C HETATM 1239 O33 SXO A 101 -4.429 -14.187 5.453 1.00 1.99 O HETATM 1240 C34 SXO A 101 -3.841 -13.167 3.391 1.00 1.35 C HETATM 1241 O35 SXO A 101 -2.890 -13.943 3.423 1.00 1.90 O HETATM 1242 N36 SXO A 101 -4.076 -12.378 2.405 1.00 1.15 N HETATM 1243 C37 SXO A 101 -3.252 -12.287 1.208 1.00 1.21 C HETATM 1244 C38 SXO A 101 -3.625 -11.119 0.294 1.00 1.09 C HETATM 1245 C39 SXO A 101 -3.463 -9.707 0.893 1.00 0.89 C HETATM 1246 O40 SXO A 101 -3.025 -8.789 0.223 1.00 1.31 O HETATM 1247 N41 SXO A 101 -3.842 -9.581 2.166 1.00 0.78 N HETATM 1248 C42 SXO A 101 -3.803 -8.358 2.961 1.00 0.93 C HETATM 1249 C43 SXO A 101 -4.676 -8.460 4.196 1.00 1.09 C HETATM 1250 S1 SXO A 101 -4.470 -7.027 5.117 1.00 1.27 S HETATM 1251 C1 SXO A 101 -2.858 -7.349 5.664 1.00 0.99 C HETATM 1252 O1 SXO A 101 -2.457 -8.483 6.014 1.00 1.87 O HETATM 1253 C2 SXO A 101 -1.953 -6.150 5.692 1.00 0.95 C HETATM 1254 C3 SXO A 101 -1.352 -5.839 4.336 1.00 0.75 C HETATM 1255 C4 SXO A 101 -0.358 -4.689 4.417 1.00 0.78 C HETATM 1256 C5 SXO A 101 0.310 -4.452 3.073 1.00 0.90 C HETATM 1257 C6 SXO A 101 1.370 -3.372 3.161 1.00 0.83 C HETATM 1258 C7 SXO A 101 2.075 -3.137 1.821 1.00 0.79 C HETATM 1259 C8 SXO A 101 1.096 -2.594 0.792 1.00 0.83 C HETATM 0 HO33 SXO A 101 -3.686 -14.698 5.068 1.00 1.99 H new HETATM 0 HN41 SXO A 101 -4.193 -10.420 2.628 1.00 0.78 H new HETATM 0 HN36 SXO A 101 -4.896 -11.774 2.465 1.00 1.15 H new HETATM 0 H43A SXO A 101 -5.721 -8.583 3.913 1.00 1.09 H new HETATM 0 H42A SXO A 101 -2.775 -8.151 3.259 1.00 0.93 H new HETATM 0 H38A SXO A 101 -3.015 -11.181 -0.607 1.00 1.09 H new HETATM 0 H37A SXO A 101 -2.207 -12.187 1.503 1.00 1.21 H new HETATM 0 H31B SXO A 101 -7.739 -14.264 3.073 1.00 1.26 H new HETATM 0 H31A SXO A 101 -6.164 -14.008 2.285 1.00 1.26 H new HETATM 0 H30B SXO A 101 -6.861 -12.546 6.196 1.00 1.57 H new HETATM 0 H30A SXO A 101 -8.148 -13.376 5.290 1.00 1.57 H new HETATM 0 H28A SXO A 101 -6.419 -11.602 2.697 1.00 1.09 H new HETATM 0 H8B SXO A 101 0.288 -3.310 0.646 1.00 0.83 H new HETATM 0 H8A SXO A 101 0.684 -1.649 1.145 1.00 0.83 H new HETATM 0 H8 SXO A 101 1.614 -2.433 -0.153 1.00 0.83 H new HETATM 0 H7A SXO A 101 2.898 -2.435 1.955 1.00 0.79 H new HETATM 0 H7 SXO A 101 2.508 -4.071 1.462 1.00 0.79 H new HETATM 0 H6A SXO A 101 0.911 -2.442 3.495 1.00 0.83 H new HETATM 0 H6 SXO A 101 2.108 -3.651 3.913 1.00 0.83 H new HETATM 0 H5A SXO A 101 0.763 -5.379 2.722 1.00 0.90 H new HETATM 0 H5 SXO A 101 -0.442 -4.166 2.337 1.00 0.90 H new HETATM 0 H4A SXO A 101 -0.871 -3.782 4.737 1.00 0.78 H new HETATM 0 H43 SXO A 101 -4.400 -9.334 4.786 1.00 1.09 H new HETATM 0 H42 SXO A 101 -4.134 -7.517 2.351 1.00 0.93 H new HETATM 0 H4 SXO A 101 0.399 -4.910 5.170 1.00 0.78 H new HETATM 0 H3A SXO A 101 -0.853 -6.726 3.946 1.00 0.75 H new HETATM 0 H38 SXO A 101 -4.663 -11.243 -0.014 1.00 1.09 H new HETATM 0 H37 SXO A 101 -3.337 -13.218 0.647 1.00 1.21 H new HETATM 0 H32 SXO A 101 -4.646 -12.147 5.044 1.00 1.44 H new HETATM 0 H31 SXO A 101 -6.312 -15.179 3.617 1.00 1.26 H new HETATM 0 H30 SXO A 101 -6.770 -14.303 5.929 1.00 1.57 H new HETATM 0 H3 SXO A 101 -2.147 -5.586 3.634 1.00 0.75 H new HETATM 0 H2A SXO A 101 -2.514 -5.284 6.043 1.00 0.95 H new HETATM 0 H28 SXO A 101 -6.464 -10.965 4.329 1.00 1.09 H new HETATM 0 H2 SXO A 101 -1.151 -6.322 6.410 1.00 0.95 H new