USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= -0.297 K(o=-0.053,f=-0.83) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -122:sc= 0.244 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 16 ASN : amide:sc= 1.13 K(o=1.1,f=-0.067) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.647) USER MOD Single : A 31 SER OG : rot 55:sc= 0.073 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 40 SER OG : rot -29:sc= 0.537 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00309 USER MOD Single : A 43 MET CE :methyl -131:sc= -0.872 (180deg=-1.22) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 1.02 (180deg=0.962) USER MOD Single : A 65 ASN : amide:sc=-0.00218 X(o=-0.0022,f=-0.47) USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0.779 (180deg=0.63) USER MOD Single : A 68 THR OG1 : rot -66:sc= 1.2 USER MOD Single : A 73 THR OG1 : rot -85:sc= 1.06 USER MOD Single : A 75 TYR OH : rot -146:sc= 0.743 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 9.910 9.494 -2.196 1.00 1.12 N ATOM 14 CA ALA A 2 8.781 10.365 -1.976 1.00 0.91 C ATOM 15 C ALA A 2 8.349 10.247 -0.531 1.00 0.87 C ATOM 16 O ALA A 2 8.696 9.268 0.139 1.00 1.07 O ATOM 17 CB ALA A 2 7.641 9.987 -2.885 1.00 0.92 C ATOM 0 HA ALA A 2 9.068 11.393 -2.196 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.797 10.653 -2.707 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.959 10.075 -3.924 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.340 8.959 -2.683 1.00 0.92 H new ATOM 23 N THR A 3 7.603 11.196 -0.042 1.00 0.76 N ATOM 24 CA THR A 3 7.204 11.143 1.350 1.00 0.76 C ATOM 25 C THR A 3 5.933 10.396 1.528 1.00 0.56 C ATOM 26 O THR A 3 5.295 10.083 0.569 1.00 0.48 O ATOM 27 CB THR A 3 7.126 12.525 2.040 1.00 0.97 C ATOM 28 OG1 THR A 3 6.890 12.407 3.430 1.00 1.45 O ATOM 29 CG2 THR A 3 6.084 13.444 1.394 1.00 1.57 C ATOM 0 H THR A 3 7.261 12.002 -0.566 1.00 0.76 H new ATOM 0 HA THR A 3 8.006 10.600 1.851 1.00 0.76 H new ATOM 0 HB THR A 3 8.103 12.988 1.899 1.00 0.97 H new ATOM 0 HG1 THR A 3 6.849 13.300 3.832 1.00 1.45 H new ATOM 0 HG21 THR A 3 6.069 14.401 1.916 1.00 1.57 H new ATOM 0 HG22 THR A 3 6.341 13.605 0.347 1.00 1.57 H new ATOM 0 HG23 THR A 3 5.100 12.980 1.459 1.00 1.57 H new ATOM 37 N GLN A 4 5.522 10.222 2.785 1.00 0.58 N ATOM 38 CA GLN A 4 4.330 9.493 3.139 1.00 0.52 C ATOM 39 C GLN A 4 3.137 10.104 2.470 1.00 0.49 C ATOM 40 O GLN A 4 2.213 9.405 2.105 1.00 0.51 O ATOM 41 CB GLN A 4 4.115 9.454 4.658 1.00 0.65 C ATOM 42 CG GLN A 4 5.221 8.746 5.417 1.00 1.14 C ATOM 43 CD GLN A 4 4.942 8.567 6.902 1.00 1.21 C ATOM 44 OE1 GLN A 4 5.394 7.599 7.507 1.00 1.64 O ATOM 45 NE2 GLN A 4 4.255 9.499 7.508 1.00 1.76 N ATOM 0 H GLN A 4 6.025 10.595 3.590 1.00 0.58 H new ATOM 0 HA GLN A 4 4.457 8.466 2.795 1.00 0.52 H new ATOM 0 HB2 GLN A 4 4.029 10.475 5.029 1.00 0.65 H new ATOM 0 HB3 GLN A 4 3.168 8.957 4.868 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.384 7.766 4.969 1.00 1.14 H new ATOM 0 HG3 GLN A 4 6.146 9.309 5.298 1.00 1.14 H new ATOM 0 HE21 GLN A 4 3.892 10.291 6.978 1.00 1.76 H new ATOM 0 HE22 GLN A 4 4.081 9.434 8.511 1.00 1.76 H new ATOM 54 N GLU A 5 3.198 11.405 2.230 1.00 0.53 N ATOM 55 CA GLU A 5 2.077 12.083 1.592 1.00 0.58 C ATOM 56 C GLU A 5 1.947 11.657 0.150 1.00 0.53 C ATOM 57 O GLU A 5 0.853 11.343 -0.336 1.00 0.60 O ATOM 58 CB GLU A 5 2.178 13.605 1.687 1.00 0.72 C ATOM 59 CG GLU A 5 1.981 14.160 3.079 1.00 1.48 C ATOM 60 CD GLU A 5 3.160 13.973 3.989 1.00 2.18 C ATOM 61 OE1 GLU A 5 3.284 12.900 4.595 1.00 3.05 O ATOM 62 OE2 GLU A 5 3.981 14.883 4.102 1.00 2.49 O ATOM 0 H GLU A 5 3.992 12.002 2.461 1.00 0.53 H new ATOM 0 HA GLU A 5 1.181 11.786 2.137 1.00 0.58 H new ATOM 0 HB2 GLU A 5 3.157 13.915 1.321 1.00 0.72 H new ATOM 0 HB3 GLU A 5 1.435 14.048 1.024 1.00 0.72 H new ATOM 0 HG2 GLU A 5 1.758 15.224 3.005 1.00 1.48 H new ATOM 0 HG3 GLU A 5 1.110 13.683 3.528 1.00 1.48 H new ATOM 69 N GLU A 6 3.072 11.572 -0.485 1.00 0.50 N ATOM 70 CA GLU A 6 3.172 11.236 -1.875 1.00 0.50 C ATOM 71 C GLU A 6 3.121 9.712 -2.030 1.00 0.42 C ATOM 72 O GLU A 6 2.720 9.189 -3.075 1.00 0.43 O ATOM 73 CB GLU A 6 4.492 11.782 -2.392 1.00 0.59 C ATOM 74 CG GLU A 6 4.692 13.263 -2.089 1.00 1.06 C ATOM 75 CD GLU A 6 6.074 13.756 -2.436 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.067 13.209 -1.921 1.00 2.53 O ATOM 77 OE2 GLU A 6 6.199 14.669 -3.274 1.00 2.16 O ATOM 0 H GLU A 6 3.975 11.739 -0.040 1.00 0.50 H new ATOM 0 HA GLU A 6 2.348 11.667 -2.443 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.310 11.214 -1.950 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.544 11.629 -3.470 1.00 0.59 H new ATOM 0 HG2 GLU A 6 3.955 13.844 -2.644 1.00 1.06 H new ATOM 0 HG3 GLU A 6 4.505 13.440 -1.030 1.00 1.06 H new ATOM 84 N ILE A 7 3.508 9.009 -0.964 1.00 0.36 N ATOM 85 CA ILE A 7 3.495 7.571 -0.959 1.00 0.33 C ATOM 86 C ILE A 7 2.040 7.086 -0.884 1.00 0.30 C ATOM 87 O ILE A 7 1.607 6.274 -1.698 1.00 0.30 O ATOM 88 CB ILE A 7 4.346 6.933 0.201 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.858 7.222 0.025 1.00 0.40 C ATOM 90 CG2 ILE A 7 4.126 5.425 0.259 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.472 6.700 -1.266 1.00 0.45 C ATOM 0 H ILE A 7 3.834 9.429 -0.094 1.00 0.36 H new ATOM 0 HA ILE A 7 3.966 7.241 -1.885 1.00 0.33 H new ATOM 0 HB ILE A 7 4.012 7.388 1.133 1.00 0.36 H new ATOM 0 HG12 ILE A 7 6.013 8.300 0.072 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.395 6.785 0.867 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.722 5.001 1.067 1.00 0.40 H new ATOM 0 HG22 ILE A 7 3.071 5.218 0.439 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.427 4.977 -0.688 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.532 6.953 -1.293 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.356 5.617 -1.312 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.968 7.155 -2.119 1.00 0.45 H new ATOM 103 N VAL A 8 1.287 7.616 0.111 1.00 0.31 N ATOM 104 CA VAL A 8 -0.149 7.305 0.284 1.00 0.35 C ATOM 105 C VAL A 8 -0.896 7.548 -1.025 1.00 0.34 C ATOM 106 O VAL A 8 -1.683 6.702 -1.468 1.00 0.36 O ATOM 107 CB VAL A 8 -0.794 8.175 1.418 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.300 8.051 1.412 1.00 0.57 C ATOM 109 CG2 VAL A 8 -0.284 7.749 2.777 1.00 0.49 C ATOM 0 H VAL A 8 1.655 8.264 0.808 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.228 6.256 0.569 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.514 9.211 1.225 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.719 8.665 2.209 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.689 8.388 0.451 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.580 7.010 1.571 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.745 8.366 3.548 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.538 6.703 2.949 1.00 0.49 H new ATOM 0 HG23 VAL A 8 0.799 7.871 2.814 1.00 0.49 H new ATOM 119 N ALA A 9 -0.625 8.700 -1.630 1.00 0.37 N ATOM 120 CA ALA A 9 -1.226 9.091 -2.895 1.00 0.41 C ATOM 121 C ALA A 9 -1.017 8.019 -3.960 1.00 0.37 C ATOM 122 O ALA A 9 -1.970 7.600 -4.606 1.00 0.43 O ATOM 123 CB ALA A 9 -0.642 10.414 -3.355 1.00 0.48 C ATOM 0 H ALA A 9 0.023 9.391 -1.252 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.299 9.206 -2.744 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.096 10.702 -4.303 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -0.845 11.181 -2.608 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.435 10.311 -3.485 1.00 0.48 H new ATOM 129 N GLY A 10 0.223 7.529 -4.068 1.00 0.33 N ATOM 130 CA GLY A 10 0.558 6.532 -5.070 1.00 0.34 C ATOM 131 C GLY A 10 -0.177 5.236 -4.812 1.00 0.31 C ATOM 132 O GLY A 10 -0.723 4.632 -5.724 1.00 0.37 O ATOM 0 H GLY A 10 1.002 7.810 -3.473 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.303 6.908 -6.061 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.633 6.352 -5.064 1.00 0.34 H new ATOM 136 N LEU A 11 -0.208 4.842 -3.543 1.00 0.26 N ATOM 137 CA LEU A 11 -0.873 3.620 -3.095 1.00 0.25 C ATOM 138 C LEU A 11 -2.334 3.625 -3.487 1.00 0.23 C ATOM 139 O LEU A 11 -2.854 2.653 -4.064 1.00 0.24 O ATOM 140 CB LEU A 11 -0.765 3.490 -1.573 1.00 0.28 C ATOM 141 CG LEU A 11 0.624 3.245 -1.002 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.582 3.286 0.519 1.00 0.33 C ATOM 143 CD2 LEU A 11 1.144 1.901 -1.473 1.00 0.32 C ATOM 0 H LEU A 11 0.232 5.367 -2.787 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.380 2.775 -3.575 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.160 4.402 -1.125 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.412 2.672 -1.255 1.00 0.28 H new ATOM 0 HG LEU A 11 1.295 4.029 -1.354 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.582 3.109 0.915 1.00 0.33 H new ATOM 0 HD12 LEU A 11 0.229 4.264 0.847 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.095 2.514 0.885 1.00 0.33 H new ATOM 0 HD21 LEU A 11 2.139 1.731 -1.061 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.472 1.112 -1.135 1.00 0.32 H new ATOM 0 HD23 LEU A 11 1.196 1.892 -2.562 1.00 0.32 H new ATOM 155 N ALA A 12 -2.984 4.728 -3.212 1.00 0.23 N ATOM 156 CA ALA A 12 -4.383 4.854 -3.475 1.00 0.23 C ATOM 157 C ALA A 12 -4.681 4.941 -4.955 1.00 0.21 C ATOM 158 O ALA A 12 -5.770 4.613 -5.358 1.00 0.24 O ATOM 159 CB ALA A 12 -4.979 6.013 -2.733 1.00 0.28 C ATOM 0 H ALA A 12 -2.554 5.557 -2.801 1.00 0.23 H new ATOM 0 HA ALA A 12 -4.855 3.943 -3.107 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.044 6.079 -2.956 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.841 5.869 -1.661 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.486 6.935 -3.041 1.00 0.28 H new ATOM 165 N GLU A 13 -3.715 5.366 -5.762 1.00 0.24 N ATOM 166 CA GLU A 13 -3.913 5.411 -7.210 1.00 0.29 C ATOM 167 C GLU A 13 -4.146 4.021 -7.761 1.00 0.28 C ATOM 168 O GLU A 13 -5.008 3.826 -8.630 1.00 0.37 O ATOM 169 CB GLU A 13 -2.763 6.103 -7.938 1.00 0.42 C ATOM 170 CG GLU A 13 -2.643 7.584 -7.640 1.00 0.94 C ATOM 171 CD GLU A 13 -1.522 8.229 -8.403 1.00 1.53 C ATOM 172 OE1 GLU A 13 -0.357 8.188 -7.933 1.00 2.48 O ATOM 173 OE2 GLU A 13 -1.771 8.810 -9.469 1.00 1.55 O ATOM 0 H GLU A 13 -2.798 5.681 -5.446 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.804 6.013 -7.391 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -1.828 5.612 -7.667 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -2.894 5.969 -9.012 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -3.581 8.080 -7.889 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -2.481 7.726 -6.571 1.00 0.94 H new ATOM 180 N ILE A 14 -3.413 3.049 -7.243 1.00 0.24 N ATOM 181 CA ILE A 14 -3.630 1.687 -7.658 1.00 0.28 C ATOM 182 C ILE A 14 -4.884 1.131 -6.967 1.00 0.25 C ATOM 183 O ILE A 14 -5.759 0.574 -7.623 1.00 0.32 O ATOM 184 CB ILE A 14 -2.412 0.720 -7.423 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.143 1.141 -8.199 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.784 -0.700 -7.812 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.243 2.124 -7.487 1.00 0.44 C ATOM 0 H ILE A 14 -2.678 3.180 -6.548 1.00 0.24 H new ATOM 0 HA ILE A 14 -3.762 1.725 -8.739 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.179 0.776 -6.360 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.565 0.246 -8.429 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.448 1.577 -9.150 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -1.932 -1.358 -7.644 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.626 -1.035 -7.206 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.062 -0.728 -8.866 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.617 2.353 -8.117 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -0.796 3.040 -7.281 1.00 0.44 H new ATOM 0 HD13 ILE A 14 0.101 1.689 -6.548 1.00 0.44 H new ATOM 199 N VAL A 15 -4.999 1.318 -5.643 1.00 0.22 N ATOM 200 CA VAL A 15 -6.158 0.789 -4.905 1.00 0.22 C ATOM 201 C VAL A 15 -7.504 1.410 -5.397 1.00 0.22 C ATOM 202 O VAL A 15 -8.563 0.806 -5.280 1.00 0.25 O ATOM 203 CB VAL A 15 -6.019 0.888 -3.342 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.198 0.223 -2.639 1.00 0.30 C ATOM 205 CG2 VAL A 15 -4.750 0.224 -2.867 1.00 0.34 C ATOM 0 H VAL A 15 -4.320 1.820 -5.071 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.176 -0.276 -5.136 1.00 0.22 H new ATOM 0 HB VAL A 15 -5.996 1.949 -3.095 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.073 0.308 -1.560 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.124 0.715 -2.937 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.241 -0.830 -2.918 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -4.680 0.307 -1.782 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -4.762 -0.829 -3.150 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -3.890 0.713 -3.325 1.00 0.34 H new ATOM 215 N ASN A 16 -7.447 2.588 -5.988 1.00 0.24 N ATOM 216 CA ASN A 16 -8.642 3.224 -6.565 1.00 0.30 C ATOM 217 C ASN A 16 -9.052 2.504 -7.845 1.00 0.34 C ATOM 218 O ASN A 16 -10.222 2.357 -8.129 1.00 0.43 O ATOM 219 CB ASN A 16 -8.410 4.718 -6.852 1.00 0.37 C ATOM 220 CG ASN A 16 -9.637 5.425 -7.416 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.839 5.476 -8.621 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.441 5.997 -6.555 1.00 0.48 N ATOM 0 H ASN A 16 -6.591 3.134 -6.087 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.445 3.147 -5.832 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.106 5.214 -5.930 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.585 4.821 -7.557 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.263 6.503 -6.884 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.245 5.936 -5.556 1.00 0.48 H new ATOM 229 N GLU A 17 -8.078 2.023 -8.583 1.00 0.37 N ATOM 230 CA GLU A 17 -8.344 1.278 -9.796 1.00 0.48 C ATOM 231 C GLU A 17 -8.826 -0.127 -9.426 1.00 0.47 C ATOM 232 O GLU A 17 -9.746 -0.661 -10.030 1.00 0.60 O ATOM 233 CB GLU A 17 -7.072 1.220 -10.663 1.00 0.63 C ATOM 234 CG GLU A 17 -7.226 0.477 -11.985 1.00 1.05 C ATOM 235 CD GLU A 17 -5.983 0.560 -12.836 1.00 1.51 C ATOM 236 OE1 GLU A 17 -5.819 1.535 -13.596 1.00 1.70 O ATOM 237 OE2 GLU A 17 -5.150 -0.378 -12.786 1.00 2.11 O ATOM 0 H GLU A 17 -7.088 2.134 -8.364 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.123 1.773 -10.376 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -6.746 2.239 -10.872 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -6.279 0.744 -10.086 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -7.459 -0.569 -11.786 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -8.070 0.892 -12.536 1.00 1.05 H new ATOM 244 N ILE A 18 -8.224 -0.677 -8.395 1.00 0.39 N ATOM 245 CA ILE A 18 -8.535 -2.017 -7.926 1.00 0.43 C ATOM 246 C ILE A 18 -9.881 -2.071 -7.168 1.00 0.44 C ATOM 247 O ILE A 18 -10.768 -2.846 -7.525 1.00 0.53 O ATOM 248 CB ILE A 18 -7.379 -2.514 -6.997 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.060 -2.611 -7.782 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.703 -3.840 -6.316 1.00 0.50 C ATOM 251 CD1 ILE A 18 -6.134 -3.493 -9.014 1.00 0.71 C ATOM 0 H ILE A 18 -7.499 -0.207 -7.852 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.629 -2.667 -8.796 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.266 -1.774 -6.205 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.755 -1.609 -8.084 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.284 -2.995 -7.120 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -6.867 -4.138 -5.684 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.598 -3.726 -5.704 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -7.876 -4.605 -7.073 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -5.163 -3.508 -9.510 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.406 -4.507 -8.720 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.885 -3.099 -9.699 1.00 0.71 H new ATOM 263 N ALA A 19 -10.041 -1.235 -6.162 1.00 0.40 N ATOM 264 CA ALA A 19 -11.220 -1.289 -5.299 1.00 0.46 C ATOM 265 C ALA A 19 -12.116 -0.066 -5.434 1.00 0.45 C ATOM 266 O ALA A 19 -13.327 -0.161 -5.268 1.00 0.68 O ATOM 267 CB ALA A 19 -10.797 -1.472 -3.862 1.00 0.52 C ATOM 0 H ALA A 19 -9.372 -0.506 -5.916 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.812 -2.144 -5.624 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.681 -1.511 -3.225 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.237 -2.402 -3.763 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.168 -0.635 -3.559 1.00 0.52 H new ATOM 273 N GLY A 20 -11.530 1.080 -5.693 1.00 0.44 N ATOM 274 CA GLY A 20 -12.335 2.271 -5.901 1.00 0.46 C ATOM 275 C GLY A 20 -12.465 3.160 -4.680 1.00 0.52 C ATOM 276 O GLY A 20 -13.488 3.830 -4.500 1.00 0.93 O ATOM 0 H GLY A 20 -10.522 1.217 -5.765 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -11.899 2.852 -6.714 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.332 1.969 -6.224 1.00 0.46 H new ATOM 280 N ILE A 21 -11.458 3.174 -3.836 1.00 0.38 N ATOM 281 CA ILE A 21 -11.470 4.059 -2.680 1.00 0.39 C ATOM 282 C ILE A 21 -11.017 5.464 -3.037 1.00 0.43 C ATOM 283 O ILE A 21 -10.129 5.640 -3.876 1.00 0.50 O ATOM 284 CB ILE A 21 -10.674 3.516 -1.444 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.370 2.781 -1.826 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.553 2.670 -0.545 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.276 3.653 -2.417 1.00 0.43 C ATOM 0 H ILE A 21 -10.625 2.591 -3.921 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.515 4.097 -2.372 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.363 4.394 -0.879 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -8.977 2.289 -0.936 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.612 1.997 -2.543 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -10.968 2.310 0.302 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.386 3.271 -0.181 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.937 1.819 -1.108 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.406 3.038 -2.649 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -8.640 4.125 -3.329 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -7.995 4.422 -1.697 1.00 0.43 H new ATOM 299 N PRO A 22 -11.660 6.472 -2.465 1.00 0.52 N ATOM 300 CA PRO A 22 -11.269 7.857 -2.655 1.00 0.60 C ATOM 301 C PRO A 22 -9.886 8.102 -2.070 1.00 0.55 C ATOM 302 O PRO A 22 -9.550 7.572 -1.000 1.00 0.52 O ATOM 303 CB PRO A 22 -12.305 8.659 -1.852 1.00 0.74 C ATOM 304 CG PRO A 22 -13.407 7.715 -1.537 1.00 0.75 C ATOM 305 CD PRO A 22 -12.835 6.337 -1.596 1.00 0.63 C ATOM 0 HA PRO A 22 -11.234 8.132 -3.709 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.864 9.061 -0.940 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.673 9.508 -2.429 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.818 7.919 -0.549 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.223 7.824 -2.251 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.558 5.978 -0.605 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.552 5.625 -2.004 1.00 0.63 H new ATOM 313 N VAL A 23 -9.101 8.916 -2.727 1.00 0.62 N ATOM 314 CA VAL A 23 -7.765 9.221 -2.239 1.00 0.65 C ATOM 315 C VAL A 23 -7.821 10.201 -1.063 1.00 0.73 C ATOM 316 O VAL A 23 -6.812 10.494 -0.421 1.00 1.02 O ATOM 317 CB VAL A 23 -6.804 9.740 -3.346 1.00 0.78 C ATOM 318 CG1 VAL A 23 -6.636 8.696 -4.437 1.00 1.48 C ATOM 319 CG2 VAL A 23 -7.304 11.048 -3.943 1.00 1.35 C ATOM 0 H VAL A 23 -9.355 9.382 -3.598 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.348 8.275 -1.893 1.00 0.65 H new ATOM 0 HB VAL A 23 -5.835 9.927 -2.884 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -5.960 9.076 -5.203 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -6.221 7.784 -4.007 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.606 8.478 -4.884 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -6.611 11.385 -4.714 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -8.289 10.894 -4.383 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -7.371 11.803 -3.160 1.00 1.35 H new ATOM 329 N GLU A 24 -9.021 10.680 -0.784 1.00 0.66 N ATOM 330 CA GLU A 24 -9.278 11.534 0.352 1.00 0.76 C ATOM 331 C GLU A 24 -9.521 10.664 1.571 1.00 0.69 C ATOM 332 O GLU A 24 -9.372 11.103 2.707 1.00 0.80 O ATOM 333 CB GLU A 24 -10.530 12.414 0.144 1.00 0.99 C ATOM 334 CG GLU A 24 -10.663 13.086 -1.216 1.00 1.22 C ATOM 335 CD GLU A 24 -11.304 12.192 -2.261 1.00 1.54 C ATOM 336 OE1 GLU A 24 -10.606 11.395 -2.898 1.00 1.89 O ATOM 337 OE2 GLU A 24 -12.526 12.294 -2.469 1.00 2.03 O ATOM 0 H GLU A 24 -9.848 10.483 -1.347 1.00 0.66 H new ATOM 0 HA GLU A 24 -8.412 12.184 0.481 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -11.413 11.797 0.309 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -10.535 13.189 0.911 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -11.257 13.994 -1.110 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -9.675 13.390 -1.563 1.00 1.22 H new ATOM 344 N ASP A 25 -9.893 9.419 1.319 1.00 0.60 N ATOM 345 CA ASP A 25 -10.236 8.496 2.387 1.00 0.64 C ATOM 346 C ASP A 25 -8.980 7.892 2.949 1.00 0.55 C ATOM 347 O ASP A 25 -8.857 7.679 4.154 1.00 0.58 O ATOM 348 CB ASP A 25 -11.125 7.357 1.870 1.00 0.72 C ATOM 349 CG ASP A 25 -11.714 6.546 2.999 1.00 0.90 C ATOM 350 OD1 ASP A 25 -11.031 5.673 3.558 1.00 0.98 O ATOM 351 OD2 ASP A 25 -12.879 6.800 3.361 1.00 1.07 O ATOM 0 H ASP A 25 -9.965 9.024 0.381 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.776 9.054 3.152 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.930 7.772 1.263 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.540 6.705 1.222 1.00 0.72 H new ATOM 356 N VAL A 26 -8.046 7.636 2.064 1.00 0.51 N ATOM 357 CA VAL A 26 -6.802 6.983 2.394 1.00 0.47 C ATOM 358 C VAL A 26 -5.870 7.922 3.167 1.00 0.47 C ATOM 359 O VAL A 26 -5.118 8.718 2.598 1.00 0.51 O ATOM 360 CB VAL A 26 -6.105 6.434 1.124 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.875 5.611 1.486 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.074 5.594 0.316 1.00 0.70 C ATOM 0 H VAL A 26 -8.131 7.880 1.077 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.035 6.137 3.041 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.781 7.283 0.522 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.406 5.238 0.576 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.166 6.236 2.030 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.172 4.769 2.112 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.572 5.214 -0.574 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.422 4.757 0.921 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.926 6.206 0.019 1.00 0.70 H new ATOM 372 N LYS A 27 -6.052 7.909 4.447 1.00 0.49 N ATOM 373 CA LYS A 27 -5.226 8.610 5.387 1.00 0.54 C ATOM 374 C LYS A 27 -4.396 7.564 6.121 1.00 0.47 C ATOM 375 O LYS A 27 -4.734 6.391 6.063 1.00 0.51 O ATOM 376 CB LYS A 27 -6.112 9.426 6.325 1.00 0.65 C ATOM 377 CG LYS A 27 -6.875 10.518 5.588 1.00 0.83 C ATOM 378 CD LYS A 27 -7.909 11.194 6.457 1.00 1.53 C ATOM 379 CE LYS A 27 -8.605 12.307 5.687 1.00 2.02 C ATOM 380 NZ LYS A 27 -9.719 12.890 6.453 1.00 2.83 N ATOM 0 H LYS A 27 -6.810 7.389 4.889 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.552 9.316 4.901 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.820 8.763 6.823 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -5.496 9.877 7.103 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -6.170 11.264 5.222 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.365 10.087 4.715 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -8.643 10.463 6.795 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -7.433 11.603 7.348 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -7.883 13.087 5.445 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -8.980 11.915 4.742 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -10.167 13.644 5.894 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -10.420 12.151 6.663 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -9.358 13.287 7.344 1.00 2.83 H new ATOM 394 N LEU A 28 -3.368 7.982 6.833 1.00 0.49 N ATOM 395 CA LEU A 28 -2.343 7.074 7.415 1.00 0.47 C ATOM 396 C LEU A 28 -2.880 5.872 8.200 1.00 0.50 C ATOM 397 O LEU A 28 -2.376 4.759 8.055 1.00 0.56 O ATOM 398 CB LEU A 28 -1.304 7.838 8.257 1.00 0.54 C ATOM 399 CG LEU A 28 -0.263 8.692 7.505 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.564 7.838 6.556 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.913 9.845 6.767 1.00 0.99 C ATOM 0 H LEU A 28 -3.200 8.967 7.038 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.862 6.649 6.534 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.843 8.492 8.943 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.766 7.112 8.866 1.00 0.54 H new ATOM 0 HG LEU A 28 0.408 9.116 8.252 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.290 8.466 6.039 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.089 7.069 7.122 1.00 1.07 H new ATOM 0 HD13 LEU A 28 -0.093 7.366 5.825 1.00 1.07 H new ATOM 0 HD21 LEU A 28 -0.148 10.423 6.250 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.627 9.456 6.041 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.433 10.486 7.479 1.00 0.99 H new ATOM 413 N ASP A 29 -3.906 6.060 8.979 1.00 0.56 N ATOM 414 CA ASP A 29 -4.407 4.966 9.802 1.00 0.65 C ATOM 415 C ASP A 29 -5.440 4.108 9.119 1.00 0.61 C ATOM 416 O ASP A 29 -6.129 3.327 9.769 1.00 1.03 O ATOM 417 CB ASP A 29 -4.886 5.436 11.173 1.00 0.87 C ATOM 418 CG ASP A 29 -3.746 5.551 12.149 1.00 1.73 C ATOM 419 OD1 ASP A 29 -3.421 4.561 12.840 1.00 2.34 O ATOM 420 OD2 ASP A 29 -3.176 6.657 12.279 1.00 2.47 O ATOM 0 H ASP A 29 -4.414 6.940 9.071 1.00 0.56 H new ATOM 0 HA ASP A 29 -3.542 4.321 9.960 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -5.380 6.402 11.075 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.627 4.737 11.559 1.00 0.87 H new ATOM 425 N LYS A 30 -5.540 4.206 7.812 1.00 0.43 N ATOM 426 CA LYS A 30 -6.467 3.360 7.103 1.00 0.39 C ATOM 427 C LYS A 30 -5.830 2.020 6.809 1.00 0.38 C ATOM 428 O LYS A 30 -4.754 1.951 6.230 1.00 0.57 O ATOM 429 CB LYS A 30 -6.978 3.978 5.798 1.00 0.44 C ATOM 430 CG LYS A 30 -7.638 5.343 5.925 1.00 0.51 C ATOM 431 CD LYS A 30 -8.477 5.472 7.177 1.00 0.75 C ATOM 432 CE LYS A 30 -9.442 6.619 7.078 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.566 6.319 6.152 1.00 1.06 N ATOM 0 H LYS A 30 -5.003 4.849 7.231 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.330 3.237 7.758 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -6.140 4.064 5.106 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -7.694 3.290 5.348 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -6.869 6.115 5.927 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -8.266 5.521 5.052 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -9.027 4.546 7.345 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -7.826 5.616 8.039 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.838 6.847 8.068 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -8.915 7.508 6.733 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.357 6.966 6.345 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -10.249 6.443 5.169 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -10.880 5.338 6.293 1.00 1.06 H new ATOM 447 N SER A 31 -6.477 0.982 7.235 1.00 0.46 N ATOM 448 CA SER A 31 -6.036 -0.369 7.004 1.00 0.44 C ATOM 449 C SER A 31 -6.736 -0.913 5.797 1.00 0.45 C ATOM 450 O SER A 31 -7.916 -0.641 5.612 1.00 0.57 O ATOM 451 CB SER A 31 -6.318 -1.228 8.246 1.00 0.49 C ATOM 452 OG SER A 31 -6.282 -2.623 7.962 1.00 1.31 O ATOM 0 H SER A 31 -7.346 1.045 7.765 1.00 0.46 H new ATOM 0 HA SER A 31 -4.962 -0.387 6.821 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.583 -0.998 9.018 1.00 0.49 H new ATOM 0 HB3 SER A 31 -7.296 -0.968 8.650 1.00 0.49 H new ATOM 0 HG SER A 31 -5.424 -2.850 7.546 1.00 1.31 H new ATOM 458 N PHE A 32 -6.036 -1.735 5.020 1.00 0.41 N ATOM 459 CA PHE A 32 -6.536 -2.310 3.745 1.00 0.46 C ATOM 460 C PHE A 32 -7.621 -3.373 3.956 1.00 0.55 C ATOM 461 O PHE A 32 -7.830 -4.220 3.096 1.00 1.03 O ATOM 462 CB PHE A 32 -5.376 -2.926 2.952 1.00 0.51 C ATOM 463 CG PHE A 32 -4.305 -1.960 2.518 1.00 0.50 C ATOM 464 CD1 PHE A 32 -4.400 -1.304 1.301 1.00 0.55 C ATOM 465 CD2 PHE A 32 -3.192 -1.733 3.310 1.00 0.52 C ATOM 466 CE1 PHE A 32 -3.411 -0.438 0.885 1.00 0.59 C ATOM 467 CE2 PHE A 32 -2.198 -0.872 2.898 1.00 0.58 C ATOM 468 CZ PHE A 32 -2.306 -0.223 1.684 1.00 0.60 C ATOM 0 H PHE A 32 -5.088 -2.034 5.250 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.984 -1.487 3.188 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.915 -3.704 3.561 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -5.782 -3.414 2.066 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -5.260 -1.473 0.670 1.00 0.55 H new ATOM 0 HD2 PHE A 32 -3.102 -2.236 4.261 1.00 0.52 H new ATOM 0 HE1 PHE A 32 -3.501 0.071 -0.063 1.00 0.59 H new ATOM 0 HE2 PHE A 32 -1.334 -0.705 3.525 1.00 0.58 H new ATOM 0 HZ PHE A 32 -1.527 0.452 1.360 1.00 0.60 H new ATOM 478 N THR A 33 -8.310 -3.305 5.075 1.00 0.47 N ATOM 479 CA THR A 33 -9.414 -4.181 5.364 1.00 0.50 C ATOM 480 C THR A 33 -10.130 -3.746 6.644 1.00 0.60 C ATOM 481 O THR A 33 -11.346 -3.622 6.657 1.00 1.13 O ATOM 482 CB THR A 33 -8.995 -5.683 5.423 1.00 0.65 C ATOM 483 OG1 THR A 33 -10.122 -6.531 5.702 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.882 -5.948 6.435 1.00 1.21 C ATOM 0 H THR A 33 -8.113 -2.631 5.815 1.00 0.47 H new ATOM 0 HA THR A 33 -10.114 -4.096 4.533 1.00 0.50 H new ATOM 0 HB THR A 33 -8.604 -5.924 4.434 1.00 0.65 H new ATOM 0 HG1 THR A 33 -9.829 -7.466 5.731 1.00 1.37 H new ATOM 0 HG21 THR A 33 -7.632 -7.009 6.432 1.00 1.21 H new ATOM 0 HG22 THR A 33 -7.000 -5.367 6.166 1.00 1.21 H new ATOM 0 HG23 THR A 33 -8.218 -5.657 7.430 1.00 1.21 H new ATOM 492 N ASP A 34 -9.368 -3.493 7.715 1.00 0.55 N ATOM 493 CA ASP A 34 -9.955 -3.094 9.005 1.00 0.60 C ATOM 494 C ASP A 34 -10.693 -1.785 8.848 1.00 0.58 C ATOM 495 O ASP A 34 -11.787 -1.592 9.380 1.00 0.75 O ATOM 496 CB ASP A 34 -8.864 -2.947 10.069 1.00 0.72 C ATOM 497 CG ASP A 34 -9.389 -2.655 11.463 1.00 1.46 C ATOM 498 OD1 ASP A 34 -9.706 -1.483 11.746 1.00 2.31 O ATOM 499 OD2 ASP A 34 -9.555 -3.586 12.278 1.00 1.58 O ATOM 0 H ASP A 34 -8.350 -3.556 7.717 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.653 -3.868 9.324 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.276 -3.864 10.099 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -8.188 -2.145 9.772 1.00 0.72 H new ATOM 504 N ASP A 35 -10.118 -0.903 8.072 1.00 0.48 N ATOM 505 CA ASP A 35 -10.730 0.377 7.846 1.00 0.50 C ATOM 506 C ASP A 35 -11.339 0.456 6.472 1.00 0.56 C ATOM 507 O ASP A 35 -12.544 0.671 6.336 1.00 0.86 O ATOM 508 CB ASP A 35 -9.746 1.521 7.982 1.00 0.47 C ATOM 509 CG ASP A 35 -10.471 2.842 7.828 1.00 0.99 C ATOM 510 OD1 ASP A 35 -10.981 3.380 8.824 1.00 1.47 O ATOM 511 OD2 ASP A 35 -10.516 3.380 6.711 1.00 1.67 O ATOM 0 H ASP A 35 -9.231 -1.048 7.589 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.501 0.473 8.611 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -9.255 1.477 8.954 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -8.966 1.434 7.226 1.00 0.47 H new ATOM 516 N LEU A 36 -10.499 0.247 5.461 1.00 0.44 N ATOM 517 CA LEU A 36 -10.861 0.457 4.077 1.00 0.49 C ATOM 518 C LEU A 36 -12.042 -0.348 3.622 1.00 0.53 C ATOM 519 O LEU A 36 -12.244 -1.501 4.023 1.00 0.64 O ATOM 520 CB LEU A 36 -9.667 0.262 3.130 1.00 0.51 C ATOM 521 CG LEU A 36 -8.540 1.292 3.245 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.436 0.995 2.242 1.00 0.65 C ATOM 523 CD2 LEU A 36 -9.084 2.687 3.028 1.00 0.69 C ATOM 0 H LEU A 36 -9.540 -0.076 5.590 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.171 1.501 4.029 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -9.246 -0.728 3.308 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -10.037 0.272 2.105 1.00 0.51 H new ATOM 0 HG LEU A 36 -8.118 1.230 4.248 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.645 1.739 2.341 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -7.027 0.003 2.434 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.843 1.030 1.232 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.273 3.411 3.112 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -9.528 2.754 2.035 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.843 2.903 3.780 1.00 0.69 H new ATOM 535 N ASP A 37 -12.767 0.252 2.731 1.00 0.63 N ATOM 536 CA ASP A 37 -13.985 -0.291 2.177 1.00 0.76 C ATOM 537 C ASP A 37 -13.626 -1.100 0.968 1.00 0.78 C ATOM 538 O ASP A 37 -13.830 -0.709 -0.183 1.00 1.33 O ATOM 539 CB ASP A 37 -14.997 0.828 1.847 1.00 1.14 C ATOM 540 CG ASP A 37 -16.281 0.332 1.198 1.00 1.49 C ATOM 541 OD1 ASP A 37 -17.048 -0.406 1.854 1.00 2.15 O ATOM 542 OD2 ASP A 37 -16.526 0.620 0.009 1.00 1.96 O ATOM 0 H ASP A 37 -12.525 1.167 2.350 1.00 0.63 H new ATOM 0 HA ASP A 37 -14.476 -0.934 2.908 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -15.248 1.359 2.765 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -14.521 1.549 1.182 1.00 1.14 H new ATOM 547 N VAL A 38 -12.929 -2.140 1.252 1.00 0.65 N ATOM 548 CA VAL A 38 -12.458 -3.067 0.311 1.00 0.96 C ATOM 549 C VAL A 38 -12.818 -4.487 0.770 1.00 0.89 C ATOM 550 O VAL A 38 -13.530 -4.656 1.756 1.00 1.43 O ATOM 551 CB VAL A 38 -10.921 -2.942 0.179 1.00 1.60 C ATOM 552 CG1 VAL A 38 -10.509 -1.598 -0.398 1.00 2.23 C ATOM 553 CG2 VAL A 38 -10.254 -3.143 1.522 1.00 2.14 C ATOM 0 H VAL A 38 -12.661 -2.373 2.208 1.00 0.65 H new ATOM 0 HA VAL A 38 -12.920 -2.867 -0.656 1.00 0.96 H new ATOM 0 HB VAL A 38 -10.595 -3.721 -0.510 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -9.423 -1.552 -0.474 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -10.947 -1.478 -1.389 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -10.861 -0.799 0.254 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -9.174 -3.051 1.409 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -10.611 -2.388 2.222 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -10.496 -4.135 1.904 1.00 2.14 H new ATOM 563 N ASP A 39 -12.311 -5.477 0.075 1.00 0.82 N ATOM 564 CA ASP A 39 -12.493 -6.894 0.441 1.00 1.15 C ATOM 565 C ASP A 39 -11.152 -7.515 0.754 1.00 1.18 C ATOM 566 O ASP A 39 -10.969 -8.726 0.649 1.00 2.04 O ATOM 567 CB ASP A 39 -13.179 -7.674 -0.685 1.00 1.60 C ATOM 568 CG ASP A 39 -14.669 -7.443 -0.756 1.00 2.37 C ATOM 569 OD1 ASP A 39 -15.423 -8.185 -0.091 1.00 2.78 O ATOM 570 OD2 ASP A 39 -15.119 -6.527 -1.477 1.00 2.96 O ATOM 0 H ASP A 39 -11.754 -5.339 -0.769 1.00 0.82 H new ATOM 0 HA ASP A 39 -13.133 -6.940 1.322 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -12.730 -7.392 -1.637 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -12.991 -8.739 -0.546 1.00 1.60 H new ATOM 575 N SER A 40 -10.242 -6.649 1.149 1.00 0.85 N ATOM 576 CA SER A 40 -8.848 -6.930 1.525 1.00 0.86 C ATOM 577 C SER A 40 -8.008 -7.513 0.418 1.00 0.74 C ATOM 578 O SER A 40 -7.188 -6.803 -0.137 1.00 0.81 O ATOM 579 CB SER A 40 -8.691 -7.717 2.829 1.00 1.19 C ATOM 580 OG SER A 40 -9.267 -9.054 2.761 1.00 1.18 O ATOM 0 H SER A 40 -10.460 -5.656 1.225 1.00 0.85 H new ATOM 0 HA SER A 40 -8.445 -5.936 1.719 1.00 0.86 H new ATOM 0 HB2 SER A 40 -7.632 -7.796 3.074 1.00 1.19 H new ATOM 0 HB3 SER A 40 -9.165 -7.164 3.640 1.00 1.19 H new ATOM 0 HG SER A 40 -10.016 -9.056 2.129 1.00 1.18 H new ATOM 585 N LEU A 41 -8.278 -8.785 0.064 1.00 0.71 N ATOM 586 CA LEU A 41 -7.511 -9.592 -0.929 1.00 0.70 C ATOM 587 C LEU A 41 -7.192 -8.843 -2.230 1.00 0.65 C ATOM 588 O LEU A 41 -6.259 -9.186 -2.934 1.00 0.71 O ATOM 589 CB LEU A 41 -8.235 -10.908 -1.296 1.00 0.83 C ATOM 590 CG LEU A 41 -8.169 -12.088 -0.307 1.00 1.01 C ATOM 591 CD1 LEU A 41 -8.806 -11.759 1.017 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.829 -13.311 -0.916 1.00 1.34 C ATOM 0 H LEU A 41 -9.058 -9.303 0.469 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.571 -9.808 -0.420 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -9.286 -10.672 -1.460 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -7.833 -11.252 -2.249 1.00 0.83 H new ATOM 0 HG LEU A 41 -7.116 -12.296 -0.116 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -8.734 -12.622 1.680 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -8.290 -10.911 1.468 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -9.855 -11.506 0.863 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -8.778 -14.141 -0.211 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.872 -13.088 -1.140 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -8.311 -13.584 -1.835 1.00 1.34 H new ATOM 604 N SER A 42 -7.984 -7.855 -2.541 1.00 0.65 N ATOM 605 CA SER A 42 -7.801 -7.017 -3.701 1.00 0.66 C ATOM 606 C SER A 42 -6.426 -6.281 -3.661 1.00 0.50 C ATOM 607 O SER A 42 -5.835 -5.972 -4.703 1.00 0.47 O ATOM 608 CB SER A 42 -8.940 -6.011 -3.711 1.00 0.84 C ATOM 609 OG SER A 42 -10.200 -6.682 -3.576 1.00 1.26 O ATOM 0 H SER A 42 -8.798 -7.601 -1.981 1.00 0.65 H new ATOM 0 HA SER A 42 -7.807 -7.625 -4.606 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.811 -5.298 -2.897 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.922 -5.441 -4.640 1.00 0.84 H new ATOM 0 HG SER A 42 -10.924 -6.022 -3.582 1.00 1.26 H new ATOM 615 N MET A 43 -5.914 -6.058 -2.449 1.00 0.45 N ATOM 616 CA MET A 43 -4.643 -5.368 -2.210 1.00 0.35 C ATOM 617 C MET A 43 -3.473 -6.149 -2.841 1.00 0.30 C ATOM 618 O MET A 43 -2.453 -5.581 -3.180 1.00 0.27 O ATOM 619 CB MET A 43 -4.454 -5.185 -0.683 1.00 0.39 C ATOM 620 CG MET A 43 -3.306 -4.281 -0.207 1.00 0.47 C ATOM 621 SD MET A 43 -1.615 -4.897 -0.493 1.00 0.97 S ATOM 622 CE MET A 43 -1.647 -6.500 0.305 1.00 0.54 C ATOM 0 H MET A 43 -6.378 -6.356 -1.591 1.00 0.45 H new ATOM 0 HA MET A 43 -4.659 -4.386 -2.682 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.384 -4.788 -0.275 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.308 -6.171 -0.243 1.00 0.39 H new ATOM 0 HG2 MET A 43 -3.405 -3.315 -0.701 1.00 0.47 H new ATOM 0 HG3 MET A 43 -3.430 -4.107 0.862 1.00 0.47 H new ATOM 0 HE1 MET A 43 -0.779 -6.599 0.957 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.558 -6.594 0.897 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.624 -7.284 -0.452 1.00 0.54 H new ATOM 632 N VAL A 44 -3.662 -7.431 -3.059 1.00 0.36 N ATOM 633 CA VAL A 44 -2.615 -8.284 -3.660 1.00 0.39 C ATOM 634 C VAL A 44 -2.162 -7.727 -5.038 1.00 0.37 C ATOM 635 O VAL A 44 -1.001 -7.878 -5.442 1.00 0.42 O ATOM 636 CB VAL A 44 -3.066 -9.777 -3.775 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.977 -10.658 -4.376 1.00 0.65 C ATOM 638 CG2 VAL A 44 -3.467 -10.307 -2.411 1.00 0.57 C ATOM 0 H VAL A 44 -4.527 -7.923 -2.835 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.758 -8.261 -2.987 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.924 -9.809 -4.447 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -2.333 -11.686 -4.437 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -1.729 -10.300 -5.375 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -1.088 -10.619 -3.746 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -3.779 -11.347 -2.502 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.618 -10.242 -1.731 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -4.293 -9.713 -2.018 1.00 0.57 H new ATOM 648 N GLU A 45 -3.056 -7.009 -5.702 1.00 0.37 N ATOM 649 CA GLU A 45 -2.730 -6.375 -6.958 1.00 0.38 C ATOM 650 C GLU A 45 -1.981 -5.049 -6.757 1.00 0.31 C ATOM 651 O GLU A 45 -1.162 -4.665 -7.592 1.00 0.37 O ATOM 652 CB GLU A 45 -3.969 -6.159 -7.809 1.00 0.46 C ATOM 653 CG GLU A 45 -4.620 -7.438 -8.286 1.00 0.64 C ATOM 654 CD GLU A 45 -5.766 -7.181 -9.223 1.00 1.21 C ATOM 655 OE1 GLU A 45 -5.532 -6.769 -10.374 1.00 1.31 O ATOM 656 OE2 GLU A 45 -6.932 -7.353 -8.810 1.00 2.06 O ATOM 0 H GLU A 45 -4.013 -6.854 -5.386 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.064 -7.056 -7.487 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.696 -5.586 -7.234 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.701 -5.555 -8.676 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -3.876 -8.057 -8.787 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -4.977 -8.004 -7.426 1.00 0.64 H new ATOM 663 N VAL A 46 -2.221 -4.369 -5.635 1.00 0.30 N ATOM 664 CA VAL A 46 -1.568 -3.087 -5.394 1.00 0.30 C ATOM 665 C VAL A 46 -0.176 -3.290 -4.847 1.00 0.29 C ATOM 666 O VAL A 46 0.716 -2.543 -5.174 1.00 0.39 O ATOM 667 CB VAL A 46 -2.379 -2.090 -4.476 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.527 -2.587 -3.070 1.00 0.91 C ATOM 669 CG2 VAL A 46 -1.739 -0.710 -4.457 1.00 1.43 C ATOM 0 H VAL A 46 -2.850 -4.678 -4.894 1.00 0.30 H new ATOM 0 HA VAL A 46 -1.519 -2.607 -6.372 1.00 0.30 H new ATOM 0 HB VAL A 46 -3.374 -2.024 -4.916 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.092 -1.861 -2.485 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -3.056 -3.540 -3.075 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -1.541 -2.721 -2.626 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -2.321 -0.048 -3.816 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -0.722 -0.786 -4.072 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -1.714 -0.306 -5.469 1.00 1.43 H new ATOM 679 N VAL A 47 0.019 -4.331 -4.046 1.00 0.28 N ATOM 680 CA VAL A 47 1.342 -4.591 -3.491 1.00 0.33 C ATOM 681 C VAL A 47 2.360 -4.883 -4.604 1.00 0.31 C ATOM 682 O VAL A 47 3.445 -4.322 -4.618 1.00 0.35 O ATOM 683 CB VAL A 47 1.344 -5.704 -2.389 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.884 -7.058 -2.909 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.711 -5.809 -1.735 1.00 0.53 C ATOM 0 H VAL A 47 -0.704 -4.996 -3.771 1.00 0.28 H new ATOM 0 HA VAL A 47 1.650 -3.677 -2.983 1.00 0.33 H new ATOM 0 HB VAL A 47 0.615 -5.400 -1.638 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.908 -7.786 -2.098 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.133 -6.974 -3.292 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.547 -7.385 -3.710 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.691 -6.588 -0.973 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.457 -6.059 -2.489 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.968 -4.856 -1.273 1.00 0.53 H new ATOM 695 N VAL A 48 1.954 -5.676 -5.594 1.00 0.29 N ATOM 696 CA VAL A 48 2.839 -6.014 -6.699 1.00 0.31 C ATOM 697 C VAL A 48 3.004 -4.806 -7.646 1.00 0.29 C ATOM 698 O VAL A 48 3.989 -4.687 -8.380 1.00 0.35 O ATOM 699 CB VAL A 48 2.362 -7.286 -7.475 1.00 0.37 C ATOM 700 CG1 VAL A 48 1.065 -7.050 -8.239 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.455 -7.839 -8.382 1.00 0.65 C ATOM 0 H VAL A 48 1.024 -6.092 -5.651 1.00 0.29 H new ATOM 0 HA VAL A 48 3.813 -6.258 -6.276 1.00 0.31 H new ATOM 0 HB VAL A 48 2.148 -8.045 -6.722 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.778 -7.964 -8.760 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.277 -6.768 -7.540 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.210 -6.249 -8.964 1.00 0.61 H new ATOM 0 HG21 VAL A 48 3.084 -8.722 -8.903 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.741 -7.081 -9.111 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.323 -8.111 -7.782 1.00 0.65 H new ATOM 711 N ALA A 49 2.051 -3.893 -7.587 1.00 0.28 N ATOM 712 CA ALA A 49 2.093 -2.694 -8.397 1.00 0.28 C ATOM 713 C ALA A 49 2.899 -1.618 -7.695 1.00 0.27 C ATOM 714 O ALA A 49 3.423 -0.722 -8.316 1.00 0.32 O ATOM 715 CB ALA A 49 0.694 -2.193 -8.686 1.00 0.32 C ATOM 0 H ALA A 49 1.234 -3.963 -6.981 1.00 0.28 H new ATOM 0 HA ALA A 49 2.574 -2.936 -9.345 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.749 -1.291 -9.296 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.136 -2.961 -9.223 1.00 0.32 H new ATOM 0 HB3 ALA A 49 0.188 -1.966 -7.748 1.00 0.32 H new ATOM 721 N ALA A 50 3.006 -1.727 -6.399 1.00 0.27 N ATOM 722 CA ALA A 50 3.740 -0.768 -5.615 1.00 0.30 C ATOM 723 C ALA A 50 5.227 -0.935 -5.851 1.00 0.29 C ATOM 724 O ALA A 50 5.977 0.033 -5.837 1.00 0.32 O ATOM 725 CB ALA A 50 3.415 -0.925 -4.142 1.00 0.36 C ATOM 0 H ALA A 50 2.588 -2.482 -5.856 1.00 0.27 H new ATOM 0 HA ALA A 50 3.446 0.235 -5.924 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.979 -0.192 -3.565 1.00 0.36 H new ATOM 0 HB2 ALA A 50 2.348 -0.767 -3.986 1.00 0.36 H new ATOM 0 HB3 ALA A 50 3.684 -1.929 -3.815 1.00 0.36 H new ATOM 731 N GLU A 51 5.616 -2.165 -6.100 1.00 0.32 N ATOM 732 CA GLU A 51 6.997 -2.559 -6.388 1.00 0.39 C ATOM 733 C GLU A 51 7.584 -1.683 -7.490 1.00 0.39 C ATOM 734 O GLU A 51 8.594 -0.995 -7.304 1.00 0.47 O ATOM 735 CB GLU A 51 6.972 -4.013 -6.850 1.00 0.49 C ATOM 736 CG GLU A 51 6.320 -4.936 -5.846 1.00 0.36 C ATOM 737 CD GLU A 51 7.147 -5.157 -4.686 1.00 0.44 C ATOM 738 OE1 GLU A 51 7.403 -4.234 -3.947 1.00 0.78 O ATOM 739 OE2 GLU A 51 7.597 -6.316 -4.519 1.00 0.70 O ATOM 0 H GLU A 51 4.967 -2.952 -6.110 1.00 0.32 H new ATOM 0 HA GLU A 51 7.614 -2.441 -5.497 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.438 -4.079 -7.798 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.993 -4.348 -7.035 1.00 0.49 H new ATOM 0 HG2 GLU A 51 5.366 -4.512 -5.533 1.00 0.36 H new ATOM 0 HG3 GLU A 51 6.104 -5.892 -6.322 1.00 0.36 H new ATOM 746 N GLU A 52 6.894 -1.672 -8.599 1.00 0.36 N ATOM 747 CA GLU A 52 7.290 -0.927 -9.782 1.00 0.41 C ATOM 748 C GLU A 52 7.030 0.571 -9.621 1.00 0.38 C ATOM 749 O GLU A 52 7.727 1.403 -10.201 1.00 0.47 O ATOM 750 CB GLU A 52 6.499 -1.448 -10.985 1.00 0.49 C ATOM 751 CG GLU A 52 4.992 -1.468 -10.737 1.00 0.53 C ATOM 752 CD GLU A 52 4.181 -1.847 -11.930 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.154 -3.033 -12.294 1.00 0.96 O ATOM 754 OE2 GLU A 52 3.537 -0.972 -12.521 1.00 0.94 O ATOM 0 H GLU A 52 6.022 -2.188 -8.716 1.00 0.36 H new ATOM 0 HA GLU A 52 8.360 -1.069 -9.931 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.712 -0.823 -11.852 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.836 -2.456 -11.227 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.777 -2.167 -9.929 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.678 -0.481 -10.397 1.00 0.53 H new ATOM 761 N ARG A 53 6.050 0.902 -8.816 1.00 0.32 N ATOM 762 CA ARG A 53 5.592 2.260 -8.713 1.00 0.36 C ATOM 763 C ARG A 53 6.418 3.082 -7.721 1.00 0.35 C ATOM 764 O ARG A 53 6.662 4.266 -7.938 1.00 0.48 O ATOM 765 CB ARG A 53 4.113 2.273 -8.313 1.00 0.46 C ATOM 766 CG ARG A 53 3.396 3.618 -8.416 1.00 1.11 C ATOM 767 CD ARG A 53 3.329 4.128 -9.858 1.00 1.21 C ATOM 768 NE ARG A 53 4.617 4.641 -10.357 1.00 2.17 N ATOM 769 CZ ARG A 53 5.150 4.358 -11.558 1.00 2.78 C ATOM 770 NH1 ARG A 53 4.610 3.415 -12.336 1.00 2.79 N ATOM 771 NH2 ARG A 53 6.256 4.976 -11.935 1.00 3.85 N ATOM 0 H ARG A 53 5.553 0.241 -8.219 1.00 0.32 H new ATOM 0 HA ARG A 53 5.717 2.726 -9.690 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.583 1.554 -8.938 1.00 0.46 H new ATOM 0 HB3 ARG A 53 4.034 1.921 -7.285 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.385 3.520 -8.019 1.00 1.11 H new ATOM 0 HG3 ARG A 53 3.912 4.351 -7.796 1.00 1.11 H new ATOM 0 HD2 ARG A 53 2.993 3.319 -10.507 1.00 1.21 H new ATOM 0 HD3 ARG A 53 2.582 4.919 -9.922 1.00 1.21 H new ATOM 0 HE ARG A 53 5.146 5.260 -9.742 1.00 2.17 H new ATOM 0 HH11 ARG A 53 3.786 2.903 -12.020 1.00 2.79 H new ATOM 0 HH12 ARG A 53 5.022 3.207 -13.246 1.00 2.79 H new ATOM 0 HH21 ARG A 53 6.695 5.659 -11.317 1.00 3.85 H new ATOM 0 HH22 ARG A 53 6.671 4.770 -12.844 1.00 3.85 H new ATOM 785 N PHE A 54 6.833 2.464 -6.641 1.00 0.29 N ATOM 786 CA PHE A 54 7.539 3.177 -5.589 1.00 0.30 C ATOM 787 C PHE A 54 9.015 2.819 -5.523 1.00 0.33 C ATOM 788 O PHE A 54 9.712 3.253 -4.597 1.00 0.40 O ATOM 789 CB PHE A 54 6.898 2.890 -4.241 1.00 0.31 C ATOM 790 CG PHE A 54 5.504 3.385 -4.144 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.247 4.711 -3.897 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.447 2.516 -4.295 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.963 5.167 -3.802 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.159 2.964 -4.202 1.00 0.38 C ATOM 795 CZ PHE A 54 2.924 4.309 -3.976 1.00 0.37 C ATOM 0 H PHE A 54 6.697 1.469 -6.462 1.00 0.29 H new ATOM 0 HA PHE A 54 7.465 4.238 -5.829 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.909 1.815 -4.061 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.497 3.351 -3.455 1.00 0.31 H new ATOM 0 HD1 PHE A 54 6.069 5.401 -3.777 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.637 1.471 -4.489 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.774 6.209 -3.589 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.333 2.275 -4.304 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.910 4.678 -3.938 1.00 0.37 H new ATOM 805 N ASP A 55 9.483 2.030 -6.501 1.00 0.36 N ATOM 806 CA ASP A 55 10.901 1.581 -6.576 1.00 0.44 C ATOM 807 C ASP A 55 11.234 0.631 -5.430 1.00 0.46 C ATOM 808 O ASP A 55 12.361 0.611 -4.914 1.00 0.77 O ATOM 809 CB ASP A 55 11.899 2.768 -6.572 1.00 0.53 C ATOM 810 CG ASP A 55 11.828 3.643 -7.799 1.00 1.14 C ATOM 811 OD1 ASP A 55 12.260 3.208 -8.889 1.00 1.23 O ATOM 812 OD2 ASP A 55 11.389 4.812 -7.683 1.00 1.95 O ATOM 0 H ASP A 55 8.902 1.681 -7.263 1.00 0.36 H new ATOM 0 HA ASP A 55 11.008 1.057 -7.526 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.712 3.382 -5.691 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.912 2.376 -6.478 1.00 0.53 H new ATOM 817 N VAL A 56 10.285 -0.199 -5.072 1.00 0.35 N ATOM 818 CA VAL A 56 10.475 -1.124 -3.979 1.00 0.40 C ATOM 819 C VAL A 56 10.470 -2.579 -4.451 1.00 0.52 C ATOM 820 O VAL A 56 10.493 -2.846 -5.656 1.00 1.14 O ATOM 821 CB VAL A 56 9.462 -0.917 -2.803 1.00 0.55 C ATOM 822 CG1 VAL A 56 9.702 0.405 -2.111 1.00 1.00 C ATOM 823 CG2 VAL A 56 8.025 -0.985 -3.297 1.00 1.37 C ATOM 0 H VAL A 56 9.371 -0.254 -5.522 1.00 0.35 H new ATOM 0 HA VAL A 56 11.464 -0.898 -3.581 1.00 0.40 H new ATOM 0 HB VAL A 56 9.623 -1.724 -2.088 1.00 0.55 H new ATOM 0 HG11 VAL A 56 8.986 0.525 -1.298 1.00 1.00 H new ATOM 0 HG12 VAL A 56 10.715 0.426 -1.709 1.00 1.00 H new ATOM 0 HG13 VAL A 56 9.579 1.218 -2.827 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.345 -0.838 -2.458 1.00 1.37 H new ATOM 0 HG22 VAL A 56 7.859 -0.205 -4.040 1.00 1.37 H new ATOM 0 HG23 VAL A 56 7.841 -1.961 -3.747 1.00 1.37 H new ATOM 833 N LYS A 57 10.441 -3.482 -3.493 1.00 0.41 N ATOM 834 CA LYS A 57 10.414 -4.907 -3.702 1.00 0.40 C ATOM 835 C LYS A 57 10.062 -5.532 -2.368 1.00 0.45 C ATOM 836 O LYS A 57 10.892 -5.584 -1.439 1.00 0.67 O ATOM 837 CB LYS A 57 11.750 -5.422 -4.239 1.00 0.57 C ATOM 838 CG LYS A 57 11.789 -6.912 -4.502 1.00 1.30 C ATOM 839 CD LYS A 57 13.061 -7.278 -5.223 1.00 1.77 C ATOM 840 CE LYS A 57 13.199 -8.771 -5.404 1.00 2.45 C ATOM 841 NZ LYS A 57 14.399 -9.103 -6.195 1.00 3.34 N ATOM 0 H LYS A 57 10.435 -3.227 -2.505 1.00 0.41 H new ATOM 0 HA LYS A 57 9.675 -5.175 -4.457 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.982 -4.896 -5.165 1.00 0.57 H new ATOM 0 HB3 LYS A 57 12.535 -5.171 -3.525 1.00 0.57 H new ATOM 0 HG2 LYS A 57 11.726 -7.457 -3.560 1.00 1.30 H new ATOM 0 HG3 LYS A 57 10.926 -7.206 -5.099 1.00 1.30 H new ATOM 0 HD2 LYS A 57 13.078 -6.791 -6.198 1.00 1.77 H new ATOM 0 HD3 LYS A 57 13.917 -6.900 -4.663 1.00 1.77 H new ATOM 0 HE2 LYS A 57 13.258 -9.254 -4.429 1.00 2.45 H new ATOM 0 HE3 LYS A 57 12.312 -9.163 -5.902 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 14.469 -10.135 -6.304 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 14.330 -8.660 -7.133 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 15.246 -8.748 -5.706 1.00 3.34 H new ATOM 855 N ILE A 58 8.837 -5.909 -2.254 1.00 0.36 N ATOM 856 CA ILE A 58 8.264 -6.383 -1.032 1.00 0.42 C ATOM 857 C ILE A 58 8.027 -7.884 -1.122 1.00 0.46 C ATOM 858 O ILE A 58 7.286 -8.357 -2.001 1.00 0.52 O ATOM 859 CB ILE A 58 6.903 -5.683 -0.788 1.00 0.47 C ATOM 860 CG1 ILE A 58 7.051 -4.165 -0.903 1.00 0.48 C ATOM 861 CG2 ILE A 58 6.367 -6.041 0.591 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.738 -3.446 -1.059 1.00 0.57 C ATOM 0 H ILE A 58 8.179 -5.897 -3.033 1.00 0.36 H new ATOM 0 HA ILE A 58 8.950 -6.163 -0.214 1.00 0.42 H new ATOM 0 HB ILE A 58 6.201 -6.028 -1.547 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.559 -3.789 -0.015 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.687 -3.933 -1.757 1.00 0.48 H new ATOM 0 HG21 ILE A 58 5.411 -5.543 0.750 1.00 0.55 H new ATOM 0 HG22 ILE A 58 6.230 -7.120 0.659 1.00 0.55 H new ATOM 0 HG23 ILE A 58 7.076 -5.717 1.353 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.917 -2.374 -1.135 1.00 0.57 H new ATOM 0 HD12 ILE A 58 5.237 -3.795 -1.962 1.00 0.57 H new ATOM 0 HD13 ILE A 58 5.107 -3.648 -0.193 1.00 0.57 H new ATOM 874 N PRO A 59 8.669 -8.659 -0.246 1.00 0.47 N ATOM 875 CA PRO A 59 8.464 -10.097 -0.177 1.00 0.53 C ATOM 876 C PRO A 59 7.008 -10.405 0.193 1.00 0.53 C ATOM 877 O PRO A 59 6.482 -9.859 1.163 1.00 0.46 O ATOM 878 CB PRO A 59 9.419 -10.546 0.933 1.00 0.59 C ATOM 879 CG PRO A 59 10.392 -9.434 1.085 1.00 0.63 C ATOM 880 CD PRO A 59 9.647 -8.192 0.742 1.00 0.50 C ATOM 0 HA PRO A 59 8.654 -10.606 -1.122 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.882 -10.729 1.864 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.922 -11.476 0.667 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.778 -9.389 2.103 1.00 0.63 H new ATOM 0 HG3 PRO A 59 11.248 -9.571 0.425 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.162 -7.757 1.616 1.00 0.50 H new ATOM 0 HD3 PRO A 59 10.305 -7.427 0.329 1.00 0.50 H new ATOM 888 N ASP A 60 6.384 -11.275 -0.585 1.00 0.68 N ATOM 889 CA ASP A 60 4.945 -11.607 -0.481 1.00 0.77 C ATOM 890 C ASP A 60 4.455 -11.960 0.922 1.00 0.70 C ATOM 891 O ASP A 60 3.352 -11.577 1.316 1.00 0.69 O ATOM 892 CB ASP A 60 4.543 -12.691 -1.483 1.00 1.08 C ATOM 893 CG ASP A 60 4.540 -12.200 -2.918 1.00 1.50 C ATOM 894 OD1 ASP A 60 5.592 -12.276 -3.587 1.00 2.30 O ATOM 895 OD2 ASP A 60 3.490 -11.719 -3.404 1.00 1.84 O ATOM 0 H ASP A 60 6.861 -11.788 -1.326 1.00 0.68 H new ATOM 0 HA ASP A 60 4.439 -10.675 -0.733 1.00 0.77 H new ATOM 0 HB2 ASP A 60 5.230 -13.533 -1.394 1.00 1.08 H new ATOM 0 HB3 ASP A 60 3.550 -13.062 -1.230 1.00 1.08 H new ATOM 900 N ASP A 61 5.228 -12.687 1.682 1.00 0.75 N ATOM 901 CA ASP A 61 4.798 -12.996 3.043 1.00 0.85 C ATOM 902 C ASP A 61 5.110 -11.892 4.021 1.00 0.71 C ATOM 903 O ASP A 61 4.425 -11.734 5.022 1.00 0.79 O ATOM 904 CB ASP A 61 5.242 -14.368 3.550 1.00 1.13 C ATOM 905 CG ASP A 61 4.348 -15.469 3.042 1.00 1.80 C ATOM 906 OD1 ASP A 61 3.120 -15.461 3.326 1.00 2.31 O ATOM 907 OD2 ASP A 61 4.852 -16.356 2.323 1.00 2.38 O ATOM 0 H ASP A 61 6.132 -13.071 1.407 1.00 0.75 H new ATOM 0 HA ASP A 61 3.712 -13.060 2.977 1.00 0.85 H new ATOM 0 HB2 ASP A 61 6.268 -14.558 3.234 1.00 1.13 H new ATOM 0 HB3 ASP A 61 5.239 -14.371 4.640 1.00 1.13 H new ATOM 912 N ASP A 62 6.111 -11.100 3.710 1.00 0.60 N ATOM 913 CA ASP A 62 6.529 -9.978 4.561 1.00 0.62 C ATOM 914 C ASP A 62 5.482 -8.869 4.494 1.00 0.51 C ATOM 915 O ASP A 62 5.333 -8.072 5.428 1.00 0.61 O ATOM 916 CB ASP A 62 7.901 -9.455 4.124 1.00 0.74 C ATOM 917 CG ASP A 62 8.539 -8.539 5.123 1.00 0.82 C ATOM 918 OD1 ASP A 62 8.585 -8.878 6.300 1.00 1.17 O ATOM 919 OD2 ASP A 62 8.923 -7.410 4.752 1.00 1.52 O ATOM 0 H ASP A 62 6.667 -11.205 2.862 1.00 0.60 H new ATOM 0 HA ASP A 62 6.614 -10.323 5.592 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.563 -10.302 3.945 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.795 -8.928 3.176 1.00 0.74 H new ATOM 924 N VAL A 63 4.741 -8.856 3.376 1.00 0.43 N ATOM 925 CA VAL A 63 3.604 -7.943 3.149 1.00 0.46 C ATOM 926 C VAL A 63 2.590 -8.091 4.280 1.00 0.46 C ATOM 927 O VAL A 63 2.124 -7.109 4.848 1.00 0.55 O ATOM 928 CB VAL A 63 2.855 -8.300 1.824 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.692 -7.352 1.575 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.784 -8.299 0.635 1.00 0.73 C ATOM 0 H VAL A 63 4.914 -9.486 2.593 1.00 0.43 H new ATOM 0 HA VAL A 63 4.004 -6.930 3.098 1.00 0.46 H new ATOM 0 HB VAL A 63 2.464 -9.310 1.947 1.00 0.53 H new ATOM 0 HG11 VAL A 63 1.191 -7.626 0.646 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.985 -7.419 2.402 1.00 0.79 H new ATOM 0 HG13 VAL A 63 2.065 -6.331 1.498 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.223 -8.552 -0.265 1.00 0.73 H new ATOM 0 HG22 VAL A 63 4.227 -7.310 0.520 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.573 -9.035 0.789 1.00 0.73 H new ATOM 940 N LYS A 64 2.306 -9.344 4.625 1.00 0.46 N ATOM 941 CA LYS A 64 1.265 -9.712 5.590 1.00 0.55 C ATOM 942 C LYS A 64 1.541 -9.199 7.011 1.00 0.54 C ATOM 943 O LYS A 64 0.681 -9.305 7.896 1.00 0.63 O ATOM 944 CB LYS A 64 1.079 -11.229 5.616 1.00 0.68 C ATOM 945 CG LYS A 64 0.721 -11.844 4.272 1.00 0.77 C ATOM 946 CD LYS A 64 0.476 -13.336 4.411 1.00 0.99 C ATOM 947 CE LYS A 64 0.152 -13.992 3.079 1.00 1.17 C ATOM 948 NZ LYS A 64 1.297 -13.946 2.142 1.00 1.24 N ATOM 0 H LYS A 64 2.799 -10.148 4.237 1.00 0.46 H new ATOM 0 HA LYS A 64 0.350 -9.226 5.251 1.00 0.55 H new ATOM 0 HB2 LYS A 64 1.998 -11.689 5.978 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.296 -11.474 6.333 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.170 -11.360 3.871 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.527 -11.668 3.560 1.00 0.77 H new ATOM 0 HD2 LYS A 64 1.359 -13.809 4.841 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.347 -13.504 5.106 1.00 0.99 H new ATOM 0 HE2 LYS A 64 -0.137 -15.030 3.247 1.00 1.17 H new ATOM 0 HE3 LYS A 64 -0.705 -13.492 2.628 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 1.074 -14.506 1.294 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 1.481 -12.960 1.867 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 2.141 -14.340 2.605 1.00 1.24 H new ATOM 962 N ASN A 65 2.722 -8.663 7.237 1.00 0.50 N ATOM 963 CA ASN A 65 3.058 -8.113 8.536 1.00 0.56 C ATOM 964 C ASN A 65 2.521 -6.684 8.645 1.00 0.52 C ATOM 965 O ASN A 65 2.309 -6.164 9.744 1.00 0.65 O ATOM 966 CB ASN A 65 4.577 -8.123 8.765 1.00 0.64 C ATOM 967 CG ASN A 65 4.970 -7.653 10.164 1.00 1.32 C ATOM 968 OD1 ASN A 65 4.238 -7.867 11.143 1.00 1.95 O ATOM 969 ND2 ASN A 65 6.101 -7.006 10.274 1.00 2.07 N ATOM 0 H ASN A 65 3.465 -8.596 6.541 1.00 0.50 H new ATOM 0 HA ASN A 65 2.597 -8.735 9.303 1.00 0.56 H new ATOM 0 HB2 ASN A 65 4.957 -9.132 8.606 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.055 -7.482 8.024 1.00 0.64 H new ATOM 0 HD21 ASN A 65 6.405 -6.661 11.184 1.00 2.07 H new ATOM 0 HD22 ASN A 65 6.680 -6.847 9.449 1.00 2.07 H new ATOM 976 N LEU A 66 2.252 -6.070 7.506 1.00 0.43 N ATOM 977 CA LEU A 66 1.761 -4.709 7.477 1.00 0.43 C ATOM 978 C LEU A 66 0.247 -4.728 7.661 1.00 0.43 C ATOM 979 O LEU A 66 -0.354 -5.810 7.729 1.00 0.47 O ATOM 980 CB LEU A 66 2.137 -4.032 6.156 1.00 0.44 C ATOM 981 CG LEU A 66 3.627 -4.052 5.778 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.841 -3.326 4.468 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.487 -3.434 6.872 1.00 0.60 C ATOM 0 H LEU A 66 2.367 -6.497 6.587 1.00 0.43 H new ATOM 0 HA LEU A 66 2.217 -4.137 8.285 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.575 -4.511 5.354 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.809 -2.993 6.199 1.00 0.44 H new ATOM 0 HG LEU A 66 3.931 -5.092 5.664 1.00 0.50 H new ATOM 0 HD11 LEU A 66 4.900 -3.346 4.210 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.266 -3.816 3.682 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.511 -2.292 4.567 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.535 -3.464 6.572 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.185 -2.399 7.031 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.358 -3.996 7.797 1.00 0.60 H new ATOM 995 N LYS A 67 -0.374 -3.565 7.738 1.00 0.45 N ATOM 996 CA LYS A 67 -1.805 -3.508 7.985 1.00 0.50 C ATOM 997 C LYS A 67 -2.428 -2.186 7.532 1.00 0.43 C ATOM 998 O LYS A 67 -3.366 -2.183 6.727 1.00 0.52 O ATOM 999 CB LYS A 67 -2.098 -3.841 9.462 1.00 0.64 C ATOM 1000 CG LYS A 67 -1.293 -3.021 10.451 1.00 0.85 C ATOM 1001 CD LYS A 67 -1.421 -3.545 11.856 1.00 0.88 C ATOM 1002 CE LYS A 67 -0.721 -2.642 12.855 1.00 1.86 C ATOM 1003 NZ LYS A 67 0.723 -2.459 12.569 1.00 2.69 N ATOM 0 H LYS A 67 0.081 -2.658 7.635 1.00 0.45 H new ATOM 0 HA LYS A 67 -2.289 -4.268 7.371 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -3.159 -3.685 9.655 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.895 -4.898 9.632 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -0.244 -3.026 10.157 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -1.628 -1.984 10.419 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -2.475 -3.630 12.118 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -0.997 -4.547 11.911 1.00 0.88 H new ATOM 0 HE2 LYS A 67 -1.210 -1.668 12.858 1.00 1.86 H new ATOM 0 HE3 LYS A 67 -0.836 -3.060 13.855 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 1.174 -1.962 13.364 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 1.172 -3.388 12.442 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 0.837 -1.898 11.701 1.00 2.69 H new ATOM 1017 N THR A 68 -1.921 -1.071 8.011 1.00 0.37 N ATOM 1018 CA THR A 68 -2.458 0.190 7.599 1.00 0.35 C ATOM 1019 C THR A 68 -1.610 0.771 6.491 1.00 0.32 C ATOM 1020 O THR A 68 -0.545 0.216 6.152 1.00 0.33 O ATOM 1021 CB THR A 68 -2.578 1.209 8.773 1.00 0.38 C ATOM 1022 OG1 THR A 68 -1.283 1.521 9.326 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.464 0.653 9.868 1.00 0.46 C ATOM 0 H THR A 68 -1.149 -1.019 8.676 1.00 0.37 H new ATOM 0 HA THR A 68 -3.469 0.005 7.237 1.00 0.35 H new ATOM 0 HB THR A 68 -3.020 2.121 8.372 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.908 0.722 9.753 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.537 1.377 10.680 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.458 0.456 9.467 1.00 0.46 H new ATOM 0 HG23 THR A 68 -3.035 -0.275 10.247 1.00 0.46 H new ATOM 1031 N VAL A 69 -2.026 1.886 5.945 1.00 0.33 N ATOM 1032 CA VAL A 69 -1.227 2.555 4.958 1.00 0.33 C ATOM 1033 C VAL A 69 -0.069 3.283 5.630 1.00 0.34 C ATOM 1034 O VAL A 69 0.886 3.682 4.983 1.00 0.36 O ATOM 1035 CB VAL A 69 -2.026 3.496 4.007 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -3.070 2.715 3.239 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.684 4.620 4.763 1.00 0.56 C ATOM 0 H VAL A 69 -2.909 2.345 6.168 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.836 1.777 4.303 1.00 0.33 H new ATOM 0 HB VAL A 69 -1.313 3.930 3.305 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.617 3.389 2.580 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.582 1.943 2.644 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.764 2.249 3.939 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -3.232 5.255 4.067 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -3.375 4.208 5.499 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.922 5.211 5.271 1.00 0.56 H new ATOM 1047 N GLY A 70 -0.159 3.406 6.953 1.00 0.36 N ATOM 1048 CA GLY A 70 0.903 3.969 7.750 1.00 0.38 C ATOM 1049 C GLY A 70 2.027 2.975 7.908 1.00 0.39 C ATOM 1050 O GLY A 70 3.178 3.349 8.105 1.00 0.46 O ATOM 0 H GLY A 70 -0.974 3.115 7.492 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.277 4.878 7.279 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.519 4.252 8.730 1.00 0.38 H new ATOM 1054 N ASP A 71 1.686 1.696 7.840 1.00 0.42 N ATOM 1055 CA ASP A 71 2.698 0.640 7.862 1.00 0.50 C ATOM 1056 C ASP A 71 3.310 0.557 6.491 1.00 0.49 C ATOM 1057 O ASP A 71 4.512 0.403 6.334 1.00 0.58 O ATOM 1058 CB ASP A 71 2.095 -0.740 8.188 1.00 0.62 C ATOM 1059 CG ASP A 71 1.415 -0.833 9.518 1.00 0.82 C ATOM 1060 OD1 ASP A 71 0.214 -0.509 9.627 1.00 1.62 O ATOM 1061 OD2 ASP A 71 2.081 -1.181 10.489 1.00 1.00 O ATOM 0 H ASP A 71 0.725 1.362 7.770 1.00 0.42 H new ATOM 0 HA ASP A 71 3.427 0.887 8.633 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.377 -0.999 7.410 1.00 0.62 H new ATOM 0 HB3 ASP A 71 2.889 -1.485 8.150 1.00 0.62 H new ATOM 1066 N ALA A 72 2.453 0.713 5.490 1.00 0.43 N ATOM 1067 CA ALA A 72 2.834 0.600 4.100 1.00 0.48 C ATOM 1068 C ALA A 72 3.823 1.679 3.725 1.00 0.44 C ATOM 1069 O ALA A 72 4.894 1.385 3.222 1.00 0.47 O ATOM 1070 CB ALA A 72 1.604 0.662 3.209 1.00 0.51 C ATOM 0 H ALA A 72 1.465 0.924 5.629 1.00 0.43 H new ATOM 0 HA ALA A 72 3.318 -0.365 3.953 1.00 0.48 H new ATOM 0 HB1 ALA A 72 1.906 0.576 2.165 1.00 0.51 H new ATOM 0 HB2 ALA A 72 0.931 -0.157 3.461 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.092 1.612 3.361 1.00 0.51 H new ATOM 1076 N THR A 73 3.460 2.920 4.005 1.00 0.40 N ATOM 1077 CA THR A 73 4.293 4.070 3.726 1.00 0.39 C ATOM 1078 C THR A 73 5.672 3.925 4.349 1.00 0.39 C ATOM 1079 O THR A 73 6.688 4.019 3.650 1.00 0.41 O ATOM 1080 CB THR A 73 3.624 5.340 4.262 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.084 5.091 5.557 1.00 0.36 O ATOM 1082 CG2 THR A 73 2.539 5.822 3.335 1.00 0.46 C ATOM 0 H THR A 73 2.567 3.156 4.438 1.00 0.40 H new ATOM 0 HA THR A 73 4.412 4.139 2.645 1.00 0.39 H new ATOM 0 HB THR A 73 4.381 6.121 4.327 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.190 4.700 5.469 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.085 6.724 3.745 1.00 0.46 H new ATOM 0 HG22 THR A 73 2.967 6.043 2.357 1.00 0.46 H new ATOM 0 HG23 THR A 73 1.779 5.048 3.231 1.00 0.46 H new ATOM 1090 N LYS A 74 5.684 3.692 5.653 1.00 0.47 N ATOM 1091 CA LYS A 74 6.896 3.539 6.434 1.00 0.53 C ATOM 1092 C LYS A 74 7.793 2.432 5.846 1.00 0.48 C ATOM 1093 O LYS A 74 9.007 2.604 5.735 1.00 0.55 O ATOM 1094 CB LYS A 74 6.525 3.215 7.887 1.00 0.65 C ATOM 1095 CG LYS A 74 7.668 3.341 8.886 1.00 1.26 C ATOM 1096 CD LYS A 74 8.167 4.785 8.997 1.00 1.88 C ATOM 1097 CE LYS A 74 7.070 5.730 9.477 1.00 2.66 C ATOM 1098 NZ LYS A 74 7.540 7.126 9.564 1.00 3.54 N ATOM 0 H LYS A 74 4.832 3.603 6.207 1.00 0.47 H new ATOM 0 HA LYS A 74 7.458 4.473 6.403 1.00 0.53 H new ATOM 0 HB2 LYS A 74 5.717 3.878 8.196 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.136 2.198 7.929 1.00 0.65 H new ATOM 0 HG2 LYS A 74 7.336 2.995 9.865 1.00 1.26 H new ATOM 0 HG3 LYS A 74 8.491 2.694 8.581 1.00 1.26 H new ATOM 0 HD2 LYS A 74 9.009 4.826 9.687 1.00 1.88 H new ATOM 0 HD3 LYS A 74 8.534 5.118 8.026 1.00 1.88 H new ATOM 0 HE2 LYS A 74 6.221 5.675 8.796 1.00 2.66 H new ATOM 0 HE3 LYS A 74 6.715 5.406 10.455 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 7.415 7.475 10.536 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 8.547 7.170 9.307 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 6.990 7.719 8.910 1.00 3.54 H new ATOM 1112 N TYR A 75 7.180 1.323 5.452 1.00 0.45 N ATOM 1113 CA TYR A 75 7.895 0.203 4.851 1.00 0.44 C ATOM 1114 C TYR A 75 8.486 0.614 3.489 1.00 0.40 C ATOM 1115 O TYR A 75 9.660 0.337 3.193 1.00 0.48 O ATOM 1116 CB TYR A 75 6.934 -0.989 4.672 1.00 0.49 C ATOM 1117 CG TYR A 75 7.581 -2.266 4.166 1.00 0.50 C ATOM 1118 CD1 TYR A 75 7.818 -2.451 2.813 1.00 0.52 C ATOM 1119 CD2 TYR A 75 7.954 -3.282 5.040 1.00 0.68 C ATOM 1120 CE1 TYR A 75 8.403 -3.606 2.350 1.00 0.61 C ATOM 1121 CE2 TYR A 75 8.532 -4.438 4.578 1.00 0.77 C ATOM 1122 CZ TYR A 75 8.765 -4.598 3.260 1.00 0.69 C ATOM 1123 OH TYR A 75 9.324 -5.741 2.754 1.00 0.83 O ATOM 0 H TYR A 75 6.175 1.174 5.540 1.00 0.45 H new ATOM 0 HA TYR A 75 8.713 -0.090 5.510 1.00 0.44 H new ATOM 0 HB2 TYR A 75 6.455 -1.197 5.629 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.146 -0.699 3.977 1.00 0.49 H new ATOM 0 HD1 TYR A 75 7.539 -1.677 2.113 1.00 0.52 H new ATOM 0 HD2 TYR A 75 7.786 -3.159 6.100 1.00 0.68 H new ATOM 0 HE1 TYR A 75 8.580 -3.743 1.293 1.00 0.61 H new ATOM 0 HE2 TYR A 75 8.801 -5.221 5.272 1.00 0.77 H new ATOM 0 HH TYR A 75 9.053 -6.508 3.301 1.00 0.83 H new ATOM 1133 N ILE A 76 7.666 1.259 2.674 1.00 0.37 N ATOM 1134 CA ILE A 76 8.058 1.714 1.341 1.00 0.43 C ATOM 1135 C ILE A 76 9.222 2.673 1.408 1.00 0.52 C ATOM 1136 O ILE A 76 10.273 2.387 0.851 1.00 0.65 O ATOM 1137 CB ILE A 76 6.879 2.387 0.603 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.809 1.356 0.301 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.348 3.064 -0.692 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.583 1.952 -0.308 1.00 0.55 C ATOM 0 H ILE A 76 6.702 1.485 2.917 1.00 0.37 H new ATOM 0 HA ILE A 76 8.361 0.828 0.783 1.00 0.43 H new ATOM 0 HB ILE A 76 6.463 3.159 1.250 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.216 0.605 -0.376 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.537 0.841 1.223 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.496 3.529 -1.189 1.00 0.59 H new ATOM 0 HG22 ILE A 76 8.090 3.826 -0.456 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.791 2.319 -1.352 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.854 1.165 -0.501 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.155 2.683 0.378 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.844 2.443 -1.245 1.00 0.55 H new ATOM 1152 N LEU A 77 9.045 3.793 2.110 1.00 0.52 N ATOM 1153 CA LEU A 77 10.077 4.824 2.196 1.00 0.71 C ATOM 1154 C LEU A 77 11.388 4.298 2.764 1.00 0.78 C ATOM 1155 O LEU A 77 12.454 4.828 2.491 1.00 0.96 O ATOM 1156 CB LEU A 77 9.567 6.111 2.896 1.00 0.86 C ATOM 1157 CG LEU A 77 8.946 6.009 4.294 1.00 0.88 C ATOM 1158 CD1 LEU A 77 9.976 5.728 5.369 1.00 1.74 C ATOM 1159 CD2 LEU A 77 8.191 7.274 4.602 1.00 0.99 C ATOM 0 H LEU A 77 8.193 4.009 2.628 1.00 0.52 H new ATOM 0 HA LEU A 77 10.309 5.120 1.173 1.00 0.71 H new ATOM 0 HB2 LEU A 77 10.406 6.804 2.960 1.00 0.86 H new ATOM 0 HB3 LEU A 77 8.826 6.568 2.241 1.00 0.86 H new ATOM 0 HG LEU A 77 8.261 5.161 4.291 1.00 0.88 H new ATOM 0 HD11 LEU A 77 9.482 5.666 6.339 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.476 4.784 5.155 1.00 1.74 H new ATOM 0 HD13 LEU A 77 10.711 6.532 5.387 1.00 1.74 H new ATOM 0 HD21 LEU A 77 7.750 7.201 5.596 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.874 8.123 4.570 1.00 0.99 H new ATOM 0 HD23 LEU A 77 7.402 7.415 3.864 1.00 0.99 H new ATOM 1171 N ASP A 78 11.288 3.217 3.493 1.00 0.71 N ATOM 1172 CA ASP A 78 12.444 2.551 4.084 1.00 0.84 C ATOM 1173 C ASP A 78 13.274 1.838 3.013 1.00 0.94 C ATOM 1174 O ASP A 78 14.499 1.822 3.067 1.00 1.09 O ATOM 1175 CB ASP A 78 11.972 1.546 5.140 1.00 0.91 C ATOM 1176 CG ASP A 78 13.068 0.664 5.687 1.00 1.15 C ATOM 1177 OD1 ASP A 78 13.971 1.190 6.390 1.00 1.32 O ATOM 1178 OD2 ASP A 78 13.082 -0.539 5.389 1.00 1.26 O ATOM 0 H ASP A 78 10.399 2.762 3.701 1.00 0.71 H new ATOM 0 HA ASP A 78 13.076 3.304 4.554 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.514 2.091 5.965 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.197 0.916 4.705 1.00 0.91 H new