USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 897 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 11 GLN : amide:sc= 0 K(o=2.5,f=2) USER MOD Set 1.2: A 106 THR OG1 : rot -81:sc= 1.23 USER MOD Set 1.3: A 109 SER OG : rot 132:sc= 1.27 USER MOD Set 2.1: A 62 SER OG : rot 14:sc= 0.763 USER MOD Set 2.2: A 90 ASN : amide:sc= 0.97 K(o=1.7,f=-7.3!) USER MOD Set 3.1: A 16 THR OG1 : rot 0:sc= 0.348 USER MOD Set 3.2: A 31 GLN : amide:sc= 0.119 X(o=0.47,f=-0.00044) USER MOD Single : A 1 SER N :NH3+ -147:sc= 0.0288 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -4:sc= 0.382 USER MOD Single : A 24 ASN : amide:sc= 0.9 K(o=0.9,f=-0.015) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= 0.571 K(o=0.57,f=-2.1!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -157:sc= 1.32 USER MOD Single : A 74 MET CE :methyl -173:sc= 0 (180deg=-0.0529) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 1.91 (180deg=1.89) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 130:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -76:sc= 1.2 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00183 USER MOD Single : A 98 CYS SG : rot -37:sc= 0.113 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 0.303 K(o=0.3,f=-4.2!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= 0.914 K(o=0.91,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.174 -6.502 12.464 1.00 2.88 N ATOM 2 CA SER A 1 17.065 -5.291 13.299 1.00 2.67 C ATOM 3 C SER A 1 17.204 -3.973 12.523 1.00 2.44 C ATOM 4 O SER A 1 16.645 -2.958 12.942 1.00 2.27 O ATOM 5 CB SER A 1 18.073 -5.352 14.451 1.00 3.06 C ATOM 6 OG SER A 1 19.381 -5.628 13.986 1.00 3.77 O ATOM 0 H1 SER A 1 16.563 -7.248 12.853 1.00 2.88 H new ATOM 0 H2 SER A 1 16.876 -6.282 11.492 1.00 2.88 H new ATOM 0 H3 SER A 1 18.160 -6.831 12.457 1.00 2.88 H new ATOM 0 HA SER A 1 16.049 -5.288 13.694 1.00 2.67 H new ATOM 0 HB2 SER A 1 18.070 -4.404 14.988 1.00 3.06 H new ATOM 0 HB3 SER A 1 17.769 -6.121 15.161 1.00 3.06 H new ATOM 0 HG SER A 1 19.999 -5.658 14.746 1.00 3.77 H new ATOM 12 N GLU A 2 17.882 -3.975 11.372 1.00 2.60 N ATOM 13 CA GLU A 2 17.898 -2.848 10.425 1.00 2.44 C ATOM 14 C GLU A 2 16.576 -2.799 9.642 1.00 2.07 C ATOM 15 O GLU A 2 16.012 -1.726 9.431 1.00 1.86 O ATOM 16 CB GLU A 2 19.106 -2.983 9.478 1.00 2.83 C ATOM 17 CG GLU A 2 19.476 -1.663 8.785 1.00 2.94 C ATOM 18 CD GLU A 2 20.765 -1.799 7.962 1.00 3.78 C ATOM 19 OE1 GLU A 2 21.860 -1.940 8.566 1.00 4.14 O ATOM 20 OE2 GLU A 2 20.705 -1.742 6.707 1.00 4.74 O ATOM 0 H GLU A 2 18.444 -4.769 11.064 1.00 2.60 H new ATOM 0 HA GLU A 2 17.997 -1.911 10.973 1.00 2.44 H new ATOM 0 HB2 GLU A 2 19.965 -3.343 10.043 1.00 2.83 H new ATOM 0 HB3 GLU A 2 18.885 -3.735 8.721 1.00 2.83 H new ATOM 0 HG2 GLU A 2 18.659 -1.352 8.134 1.00 2.94 H new ATOM 0 HG3 GLU A 2 19.602 -0.881 9.534 1.00 2.94 H new ATOM 27 N ALA A 3 16.024 -3.975 9.310 1.00 2.08 N ATOM 28 CA ALA A 3 14.682 -4.107 8.747 1.00 1.85 C ATOM 29 C ALA A 3 13.624 -3.488 9.683 1.00 1.40 C ATOM 30 O ALA A 3 12.848 -2.638 9.248 1.00 1.01 O ATOM 31 CB ALA A 3 14.403 -5.586 8.446 1.00 2.14 C ATOM 0 H ALA A 3 16.505 -4.867 9.428 1.00 2.08 H new ATOM 0 HA ALA A 3 14.622 -3.552 7.811 1.00 1.85 H new ATOM 0 HB1 ALA A 3 13.403 -5.689 8.026 1.00 2.14 H new ATOM 0 HB2 ALA A 3 15.137 -5.957 7.731 1.00 2.14 H new ATOM 0 HB3 ALA A 3 14.471 -6.164 9.368 1.00 2.14 H new ATOM 37 N LEU A 4 13.658 -3.830 10.979 1.00 1.61 N ATOM 38 CA LEU A 4 12.750 -3.290 12.006 1.00 1.30 C ATOM 39 C LEU A 4 12.721 -1.744 12.049 1.00 1.11 C ATOM 40 O LEU A 4 11.679 -1.162 12.363 1.00 1.01 O ATOM 41 CB LEU A 4 13.181 -3.862 13.375 1.00 1.67 C ATOM 42 CG LEU A 4 12.161 -3.667 14.514 1.00 1.61 C ATOM 43 CD1 LEU A 4 11.036 -4.688 14.410 1.00 1.68 C ATOM 44 CD2 LEU A 4 12.815 -3.862 15.879 1.00 2.05 C ATOM 0 H LEU A 4 14.329 -4.502 11.351 1.00 1.61 H new ATOM 0 HA LEU A 4 11.734 -3.595 11.755 1.00 1.30 H new ATOM 0 HB2 LEU A 4 13.376 -4.928 13.261 1.00 1.67 H new ATOM 0 HB3 LEU A 4 14.122 -3.395 13.667 1.00 1.67 H new ATOM 0 HG LEU A 4 11.775 -2.652 14.418 1.00 1.61 H new ATOM 0 HD11 LEU A 4 10.327 -4.533 15.223 1.00 1.68 H new ATOM 0 HD12 LEU A 4 10.524 -4.569 13.455 1.00 1.68 H new ATOM 0 HD13 LEU A 4 11.450 -5.694 14.477 1.00 1.68 H new ATOM 0 HD21 LEU A 4 12.071 -3.718 16.663 1.00 2.05 H new ATOM 0 HD22 LEU A 4 13.223 -4.871 15.946 1.00 2.05 H new ATOM 0 HD23 LEU A 4 13.619 -3.137 16.004 1.00 2.05 H new ATOM 56 N ALA A 5 13.841 -1.081 11.737 1.00 1.42 N ATOM 57 CA ALA A 5 13.897 0.368 11.523 1.00 1.56 C ATOM 58 C ALA A 5 13.330 0.788 10.150 1.00 1.24 C ATOM 59 O ALA A 5 12.431 1.633 10.075 1.00 1.27 O ATOM 60 CB ALA A 5 15.338 0.853 11.734 1.00 2.10 C ATOM 0 H ALA A 5 14.744 -1.542 11.625 1.00 1.42 H new ATOM 0 HA ALA A 5 13.252 0.852 12.256 1.00 1.56 H new ATOM 0 HB1 ALA A 5 15.386 1.930 11.576 1.00 2.10 H new ATOM 0 HB2 ALA A 5 15.655 0.621 12.751 1.00 2.10 H new ATOM 0 HB3 ALA A 5 15.998 0.353 11.025 1.00 2.10 H new ATOM 66 N LYS A 6 13.849 0.195 9.062 1.00 1.10 N ATOM 67 CA LYS A 6 13.495 0.510 7.664 1.00 0.98 C ATOM 68 C LYS A 6 11.992 0.416 7.392 1.00 0.93 C ATOM 69 O LYS A 6 11.469 1.263 6.673 1.00 1.01 O ATOM 70 CB LYS A 6 14.316 -0.387 6.720 1.00 1.03 C ATOM 71 CG LYS A 6 13.964 -0.117 5.248 1.00 0.99 C ATOM 72 CD LYS A 6 14.967 -0.727 4.265 1.00 1.44 C ATOM 73 CE LYS A 6 14.400 -0.550 2.854 1.00 1.92 C ATOM 74 NZ LYS A 6 15.374 -0.927 1.803 1.00 2.52 N ATOM 0 H LYS A 6 14.551 -0.542 9.132 1.00 1.10 H new ATOM 0 HA LYS A 6 13.749 1.553 7.474 1.00 0.98 H new ATOM 0 HB2 LYS A 6 15.380 -0.210 6.880 1.00 1.03 H new ATOM 0 HB3 LYS A 6 14.128 -1.435 6.955 1.00 1.03 H new ATOM 0 HG2 LYS A 6 12.972 -0.517 5.039 1.00 0.99 H new ATOM 0 HG3 LYS A 6 13.914 0.960 5.085 1.00 0.99 H new ATOM 0 HD2 LYS A 6 15.936 -0.235 4.353 1.00 1.44 H new ATOM 0 HD3 LYS A 6 15.124 -1.783 4.485 1.00 1.44 H new ATOM 0 HE2 LYS A 6 13.501 -1.158 2.748 1.00 1.92 H new ATOM 0 HE3 LYS A 6 14.101 0.489 2.713 1.00 1.92 H new ATOM 0 HZ1 LYS A 6 14.944 -0.790 0.866 1.00 2.52 H new ATOM 0 HZ2 LYS A 6 16.222 -0.331 1.885 1.00 2.52 H new ATOM 0 HZ3 LYS A 6 15.641 -1.926 1.919 1.00 2.52 H new ATOM 88 N LEU A 7 11.285 -0.541 7.995 1.00 0.91 N ATOM 89 CA LEU A 7 9.838 -0.737 7.827 1.00 0.97 C ATOM 90 C LEU A 7 9.004 0.529 8.137 1.00 1.01 C ATOM 91 O LEU A 7 8.045 0.814 7.420 1.00 1.11 O ATOM 92 CB LEU A 7 9.390 -1.927 8.709 1.00 1.01 C ATOM 93 CG LEU A 7 9.212 -3.303 8.033 1.00 1.05 C ATOM 94 CD1 LEU A 7 8.154 -3.261 6.936 1.00 1.14 C ATOM 95 CD2 LEU A 7 10.494 -3.889 7.449 1.00 1.24 C ATOM 0 H LEU A 7 11.709 -1.218 8.629 1.00 0.91 H new ATOM 0 HA LEU A 7 9.653 -0.954 6.775 1.00 0.97 H new ATOM 0 HB2 LEU A 7 10.119 -2.041 9.511 1.00 1.01 H new ATOM 0 HB3 LEU A 7 8.442 -1.659 9.175 1.00 1.01 H new ATOM 0 HG LEU A 7 8.892 -3.957 8.845 1.00 1.05 H new ATOM 0 HD11 LEU A 7 8.058 -4.249 6.485 1.00 1.14 H new ATOM 0 HD12 LEU A 7 7.197 -2.964 7.365 1.00 1.14 H new ATOM 0 HD13 LEU A 7 8.449 -2.541 6.173 1.00 1.14 H new ATOM 0 HD21 LEU A 7 10.278 -4.856 6.994 1.00 1.24 H new ATOM 0 HD22 LEU A 7 10.892 -3.213 6.692 1.00 1.24 H new ATOM 0 HD23 LEU A 7 11.230 -4.018 8.243 1.00 1.24 H new ATOM 107 N ILE A 8 9.366 1.309 9.166 1.00 1.03 N ATOM 108 CA ILE A 8 8.730 2.613 9.463 1.00 1.15 C ATOM 109 C ILE A 8 9.162 3.723 8.489 1.00 1.15 C ATOM 110 O ILE A 8 8.354 4.577 8.121 1.00 1.24 O ATOM 111 CB ILE A 8 8.944 2.995 10.947 1.00 1.30 C ATOM 112 CG1 ILE A 8 8.247 1.998 11.901 1.00 1.37 C ATOM 113 CG2 ILE A 8 8.469 4.425 11.260 1.00 1.48 C ATOM 114 CD1 ILE A 8 6.723 1.871 11.737 1.00 1.49 C ATOM 0 H ILE A 8 10.108 1.059 9.820 1.00 1.03 H new ATOM 0 HA ILE A 8 7.657 2.502 9.304 1.00 1.15 H new ATOM 0 HB ILE A 8 10.020 2.950 11.113 1.00 1.30 H new ATOM 0 HG12 ILE A 8 8.693 1.014 11.757 1.00 1.37 H new ATOM 0 HG13 ILE A 8 8.460 2.297 12.927 1.00 1.37 H new ATOM 0 HG21 ILE A 8 8.641 4.643 12.314 1.00 1.48 H new ATOM 0 HG22 ILE A 8 9.024 5.135 10.647 1.00 1.48 H new ATOM 0 HG23 ILE A 8 7.405 4.511 11.041 1.00 1.48 H new ATOM 0 HD11 ILE A 8 6.339 1.146 12.455 1.00 1.49 H new ATOM 0 HD12 ILE A 8 6.256 2.840 11.914 1.00 1.49 H new ATOM 0 HD13 ILE A 8 6.493 1.537 10.725 1.00 1.49 H new ATOM 126 N SER A 9 10.411 3.700 8.014 1.00 1.12 N ATOM 127 CA SER A 9 10.912 4.663 7.021 1.00 1.17 C ATOM 128 C SER A 9 10.278 4.459 5.633 1.00 1.16 C ATOM 129 O SER A 9 10.168 5.409 4.854 1.00 1.26 O ATOM 130 CB SER A 9 12.439 4.565 6.918 1.00 1.21 C ATOM 131 OG SER A 9 13.053 4.720 8.188 1.00 1.35 O ATOM 0 H SER A 9 11.106 3.013 8.306 1.00 1.12 H new ATOM 0 HA SER A 9 10.628 5.658 7.364 1.00 1.17 H new ATOM 0 HB2 SER A 9 12.716 3.600 6.493 1.00 1.21 H new ATOM 0 HB3 SER A 9 12.809 5.331 6.237 1.00 1.21 H new ATOM 0 HG SER A 9 14.026 4.651 8.092 1.00 1.35 H new ATOM 137 N LEU A 10 9.820 3.236 5.339 1.00 1.12 N ATOM 138 CA LEU A 10 9.235 2.784 4.068 1.00 1.24 C ATOM 139 C LEU A 10 7.850 3.380 3.743 1.00 1.29 C ATOM 140 O LEU A 10 7.383 3.273 2.607 1.00 1.37 O ATOM 141 CB LEU A 10 9.125 1.248 4.142 1.00 1.28 C ATOM 142 CG LEU A 10 9.336 0.540 2.798 1.00 1.23 C ATOM 143 CD1 LEU A 10 10.814 0.517 2.403 1.00 2.43 C ATOM 144 CD2 LEU A 10 8.884 -0.907 2.941 1.00 1.41 C ATOM 0 H LEU A 10 9.850 2.485 6.028 1.00 1.12 H new ATOM 0 HA LEU A 10 9.888 3.130 3.266 1.00 1.24 H new ATOM 0 HB2 LEU A 10 9.860 0.876 4.856 1.00 1.28 H new ATOM 0 HB3 LEU A 10 8.141 0.983 4.530 1.00 1.28 H new ATOM 0 HG LEU A 10 8.769 1.078 2.038 1.00 1.23 H new ATOM 0 HD11 LEU A 10 10.927 0.008 1.446 1.00 2.43 H new ATOM 0 HD12 LEU A 10 11.183 1.539 2.316 1.00 2.43 H new ATOM 0 HD13 LEU A 10 11.386 -0.012 3.165 1.00 2.43 H new ATOM 0 HD21 LEU A 10 9.026 -1.428 1.994 1.00 1.41 H new ATOM 0 HD22 LEU A 10 9.472 -1.397 3.717 1.00 1.41 H new ATOM 0 HD23 LEU A 10 7.829 -0.933 3.215 1.00 1.41 H new ATOM 156 N GLN A 11 7.173 3.965 4.734 1.00 1.30 N ATOM 157 CA GLN A 11 5.799 4.470 4.623 1.00 1.36 C ATOM 158 C GLN A 11 5.720 5.772 3.801 1.00 1.33 C ATOM 159 O GLN A 11 6.597 6.633 3.910 1.00 1.40 O ATOM 160 CB GLN A 11 5.206 4.596 6.030 1.00 1.45 C ATOM 161 CG GLN A 11 4.798 3.215 6.523 1.00 1.41 C ATOM 162 CD GLN A 11 4.123 3.343 7.866 1.00 1.56 C ATOM 163 OE1 GLN A 11 3.274 4.189 8.121 1.00 2.22 O ATOM 164 NE2 GLN A 11 4.461 2.507 8.797 1.00 2.04 N ATOM 0 H GLN A 11 7.574 4.105 5.661 1.00 1.30 H new ATOM 0 HA GLN A 11 5.192 3.760 4.061 1.00 1.36 H new ATOM 0 HB2 GLN A 11 5.937 5.037 6.708 1.00 1.45 H new ATOM 0 HB3 GLN A 11 4.342 5.261 6.016 1.00 1.45 H new ATOM 0 HG2 GLN A 11 4.123 2.746 5.807 1.00 1.41 H new ATOM 0 HG3 GLN A 11 5.674 2.572 6.604 1.00 1.41 H new ATOM 0 HE21 GLN A 11 5.165 1.793 8.610 1.00 2.04 H new ATOM 0 HE22 GLN A 11 4.023 2.563 9.716 1.00 2.04 H new ATOM 173 N ALA A 12 4.679 5.912 2.970 1.00 1.34 N ATOM 174 CA ALA A 12 4.486 7.049 2.059 1.00 1.33 C ATOM 175 C ALA A 12 3.745 8.224 2.731 1.00 1.29 C ATOM 176 O ALA A 12 3.157 8.058 3.802 1.00 1.79 O ATOM 177 CB ALA A 12 3.763 6.544 0.804 1.00 1.49 C ATOM 0 H ALA A 12 3.930 5.222 2.911 1.00 1.34 H new ATOM 0 HA ALA A 12 5.458 7.454 1.778 1.00 1.33 H new ATOM 0 HB1 ALA A 12 3.610 7.374 0.114 1.00 1.49 H new ATOM 0 HB2 ALA A 12 4.367 5.776 0.320 1.00 1.49 H new ATOM 0 HB3 ALA A 12 2.798 6.123 1.085 1.00 1.49 H new ATOM 183 N THR A 13 3.769 9.412 2.120 1.00 1.51 N ATOM 184 CA THR A 13 3.213 10.646 2.718 1.00 1.55 C ATOM 185 C THR A 13 1.768 10.922 2.304 1.00 1.20 C ATOM 186 O THR A 13 0.964 11.306 3.154 1.00 1.10 O ATOM 187 CB THR A 13 4.083 11.869 2.373 1.00 1.97 C ATOM 188 OG1 THR A 13 5.469 11.591 2.497 1.00 2.27 O ATOM 189 CG2 THR A 13 3.794 13.047 3.306 1.00 2.53 C ATOM 0 H THR A 13 4.174 9.554 1.194 1.00 1.51 H new ATOM 0 HA THR A 13 3.219 10.477 3.795 1.00 1.55 H new ATOM 0 HB THR A 13 3.833 12.116 1.341 1.00 1.97 H new ATOM 0 HG1 THR A 13 5.985 12.392 2.268 1.00 2.27 H new ATOM 0 HG21 THR A 13 4.426 13.892 3.032 1.00 2.53 H new ATOM 0 HG22 THR A 13 2.746 13.334 3.216 1.00 2.53 H new ATOM 0 HG23 THR A 13 4.003 12.756 4.335 1.00 2.53 H new ATOM 197 N GLU A 14 1.416 10.728 1.029 1.00 1.15 N ATOM 198 CA GLU A 14 0.102 11.109 0.483 1.00 0.95 C ATOM 199 C GLU A 14 -0.669 9.976 -0.214 1.00 0.81 C ATOM 200 O GLU A 14 -0.091 8.993 -0.687 1.00 0.90 O ATOM 201 CB GLU A 14 0.224 12.348 -0.427 1.00 1.17 C ATOM 202 CG GLU A 14 1.093 12.132 -1.668 1.00 1.40 C ATOM 203 CD GLU A 14 0.772 13.137 -2.776 1.00 2.93 C ATOM 204 OE1 GLU A 14 1.167 14.324 -2.667 1.00 3.57 O ATOM 205 OE2 GLU A 14 0.164 12.734 -3.797 1.00 4.29 O ATOM 0 H GLU A 14 2.035 10.300 0.340 1.00 1.15 H new ATOM 0 HA GLU A 14 -0.506 11.357 1.353 1.00 0.95 H new ATOM 0 HB2 GLU A 14 -0.774 12.651 -0.744 1.00 1.17 H new ATOM 0 HB3 GLU A 14 0.638 13.172 0.154 1.00 1.17 H new ATOM 0 HG2 GLU A 14 2.144 12.219 -1.394 1.00 1.40 H new ATOM 0 HG3 GLU A 14 0.944 11.119 -2.043 1.00 1.40 H new ATOM 212 N ALA A 15 -1.990 10.149 -0.325 1.00 0.71 N ATOM 213 CA ALA A 15 -2.905 9.277 -1.061 1.00 0.70 C ATOM 214 C ALA A 15 -3.932 10.096 -1.868 1.00 0.73 C ATOM 215 O ALA A 15 -4.327 11.189 -1.451 1.00 0.92 O ATOM 216 CB ALA A 15 -3.598 8.340 -0.062 1.00 0.67 C ATOM 0 H ALA A 15 -2.469 10.935 0.115 1.00 0.71 H new ATOM 0 HA ALA A 15 -2.342 8.685 -1.783 1.00 0.70 H new ATOM 0 HB1 ALA A 15 -4.284 7.683 -0.596 1.00 0.67 H new ATOM 0 HB2 ALA A 15 -2.849 7.740 0.454 1.00 0.67 H new ATOM 0 HB3 ALA A 15 -4.154 8.931 0.666 1.00 0.67 H new ATOM 222 N THR A 16 -4.386 9.548 -3.000 1.00 0.63 N ATOM 223 CA THR A 16 -5.385 10.178 -3.885 1.00 0.63 C ATOM 224 C THR A 16 -6.761 9.496 -3.781 1.00 0.61 C ATOM 225 O THR A 16 -6.947 8.379 -4.268 1.00 0.68 O ATOM 226 CB THR A 16 -4.874 10.255 -5.332 1.00 0.76 C ATOM 227 OG1 THR A 16 -3.685 11.032 -5.406 1.00 0.94 O ATOM 228 CG2 THR A 16 -5.882 10.947 -6.250 1.00 0.87 C ATOM 0 H THR A 16 -4.068 8.639 -3.337 1.00 0.63 H new ATOM 0 HA THR A 16 -5.529 11.202 -3.542 1.00 0.63 H new ATOM 0 HB THR A 16 -4.705 9.225 -5.646 1.00 0.76 H new ATOM 0 HG1 THR A 16 -3.448 11.354 -4.511 1.00 0.94 H new ATOM 0 HG21 THR A 16 -5.485 10.983 -7.265 1.00 0.87 H new ATOM 0 HG22 THR A 16 -6.819 10.391 -6.246 1.00 0.87 H new ATOM 0 HG23 THR A 16 -6.061 11.962 -5.895 1.00 0.87 H new ATOM 236 N ILE A 17 -7.741 10.175 -3.170 1.00 0.56 N ATOM 237 CA ILE A 17 -9.115 9.699 -2.937 1.00 0.64 C ATOM 238 C ILE A 17 -10.001 10.089 -4.123 1.00 0.79 C ATOM 239 O ILE A 17 -10.010 11.258 -4.519 1.00 0.92 O ATOM 240 CB ILE A 17 -9.719 10.296 -1.634 1.00 0.63 C ATOM 241 CG1 ILE A 17 -8.739 10.233 -0.435 1.00 0.56 C ATOM 242 CG2 ILE A 17 -11.038 9.562 -1.311 1.00 0.80 C ATOM 243 CD1 ILE A 17 -9.311 10.772 0.883 1.00 0.64 C ATOM 0 H ILE A 17 -7.592 11.116 -2.807 1.00 0.56 H new ATOM 0 HA ILE A 17 -9.077 8.615 -2.830 1.00 0.64 H new ATOM 0 HB ILE A 17 -9.915 11.355 -1.805 1.00 0.63 H new ATOM 0 HG12 ILE A 17 -8.432 9.198 -0.287 1.00 0.56 H new ATOM 0 HG13 ILE A 17 -7.842 10.799 -0.685 1.00 0.56 H new ATOM 0 HG21 ILE A 17 -11.469 9.974 -0.399 1.00 0.80 H new ATOM 0 HG22 ILE A 17 -11.739 9.694 -2.135 1.00 0.80 H new ATOM 0 HG23 ILE A 17 -10.838 8.500 -1.171 1.00 0.80 H new ATOM 0 HD11 ILE A 17 -8.558 10.690 1.667 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -9.591 11.818 0.757 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -10.191 10.192 1.162 1.00 0.64 H new ATOM 255 N VAL A 18 -10.805 9.161 -4.650 1.00 0.82 N ATOM 256 CA VAL A 18 -11.719 9.447 -5.773 1.00 0.93 C ATOM 257 C VAL A 18 -13.186 9.171 -5.419 1.00 1.02 C ATOM 258 O VAL A 18 -13.514 8.199 -4.733 1.00 1.11 O ATOM 259 CB VAL A 18 -11.231 8.775 -7.071 1.00 0.98 C ATOM 260 CG1 VAL A 18 -12.086 9.172 -8.283 1.00 1.98 C ATOM 261 CG2 VAL A 18 -9.774 9.189 -7.336 1.00 1.93 C ATOM 0 H VAL A 18 -10.845 8.197 -4.318 1.00 0.82 H new ATOM 0 HA VAL A 18 -11.692 10.519 -5.971 1.00 0.93 H new ATOM 0 HB VAL A 18 -11.314 7.696 -6.937 1.00 0.98 H new ATOM 0 HG11 VAL A 18 -11.705 8.675 -9.175 1.00 1.98 H new ATOM 0 HG12 VAL A 18 -13.120 8.871 -8.113 1.00 1.98 H new ATOM 0 HG13 VAL A 18 -12.041 10.252 -8.422 1.00 1.98 H new ATOM 0 HG21 VAL A 18 -9.423 8.717 -8.253 1.00 1.93 H new ATOM 0 HG22 VAL A 18 -9.717 10.272 -7.441 1.00 1.93 H new ATOM 0 HG23 VAL A 18 -9.148 8.872 -6.502 1.00 1.93 H new ATOM 271 N THR A 19 -14.064 10.066 -5.879 1.00 1.13 N ATOM 272 CA THR A 19 -15.503 10.130 -5.567 1.00 1.33 C ATOM 273 C THR A 19 -16.322 10.224 -6.851 1.00 1.37 C ATOM 274 O THR A 19 -15.974 11.002 -7.744 1.00 1.31 O ATOM 275 CB THR A 19 -15.806 11.365 -4.699 1.00 1.50 C ATOM 276 OG1 THR A 19 -15.037 11.338 -3.520 1.00 1.65 O ATOM 277 CG2 THR A 19 -17.262 11.454 -4.245 1.00 1.86 C ATOM 0 H THR A 19 -13.778 10.810 -6.516 1.00 1.13 H new ATOM 0 HA THR A 19 -15.772 9.223 -5.026 1.00 1.33 H new ATOM 0 HB THR A 19 -15.571 12.217 -5.337 1.00 1.50 H new ATOM 0 HG1 THR A 19 -15.239 12.130 -2.979 1.00 1.65 H new ATOM 0 HG21 THR A 19 -17.400 12.349 -3.638 1.00 1.86 H new ATOM 0 HG22 THR A 19 -17.913 11.504 -5.118 1.00 1.86 H new ATOM 0 HG23 THR A 19 -17.513 10.573 -3.654 1.00 1.86 H new ATOM 285 N LEU A 20 -17.444 9.496 -6.919 1.00 1.59 N ATOM 286 CA LEU A 20 -18.402 9.574 -8.026 1.00 1.77 C ATOM 287 C LEU A 20 -19.507 10.582 -7.674 1.00 1.98 C ATOM 288 O LEU A 20 -20.629 10.205 -7.328 1.00 2.51 O ATOM 289 CB LEU A 20 -18.943 8.172 -8.391 1.00 2.07 C ATOM 290 CG LEU A 20 -17.863 7.098 -8.644 1.00 2.14 C ATOM 291 CD1 LEU A 20 -18.516 5.734 -8.867 1.00 2.89 C ATOM 292 CD2 LEU A 20 -16.995 7.431 -9.860 1.00 1.95 C ATOM 0 H LEU A 20 -17.714 8.828 -6.197 1.00 1.59 H new ATOM 0 HA LEU A 20 -17.903 9.939 -8.924 1.00 1.77 H new ATOM 0 HB2 LEU A 20 -19.592 7.829 -7.585 1.00 2.07 H new ATOM 0 HB3 LEU A 20 -19.562 8.260 -9.284 1.00 2.07 H new ATOM 0 HG LEU A 20 -17.226 7.074 -7.760 1.00 2.14 H new ATOM 0 HD11 LEU A 20 -17.744 4.986 -9.044 1.00 2.89 H new ATOM 0 HD12 LEU A 20 -19.093 5.458 -7.984 1.00 2.89 H new ATOM 0 HD13 LEU A 20 -19.178 5.784 -9.732 1.00 2.89 H new ATOM 0 HD21 LEU A 20 -16.249 6.648 -10.000 1.00 1.95 H new ATOM 0 HD22 LEU A 20 -17.623 7.497 -10.748 1.00 1.95 H new ATOM 0 HD23 LEU A 20 -16.494 8.385 -9.699 1.00 1.95 H new ATOM 304 N ASP A 21 -19.178 11.878 -7.704 1.00 2.00 N ATOM 305 CA ASP A 21 -20.065 12.981 -7.271 1.00 2.32 C ATOM 306 C ASP A 21 -21.343 13.125 -8.127 1.00 2.52 C ATOM 307 O ASP A 21 -22.288 13.832 -7.756 1.00 2.92 O ATOM 308 CB ASP A 21 -19.276 14.306 -7.234 1.00 2.39 C ATOM 309 CG ASP A 21 -18.915 14.788 -5.826 1.00 2.85 C ATOM 310 OD1 ASP A 21 -19.739 14.661 -4.887 1.00 3.55 O ATOM 311 OD2 ASP A 21 -17.825 15.381 -5.670 1.00 3.22 O ATOM 0 H ASP A 21 -18.270 12.204 -8.036 1.00 2.00 H new ATOM 0 HA ASP A 21 -20.411 12.729 -6.268 1.00 2.32 H new ATOM 0 HB2 ASP A 21 -18.358 14.185 -7.810 1.00 2.39 H new ATOM 0 HB3 ASP A 21 -19.864 15.079 -7.730 1.00 2.39 H new ATOM 316 N SER A 22 -21.384 12.446 -9.275 1.00 2.38 N ATOM 317 CA SER A 22 -22.586 12.246 -10.088 1.00 2.60 C ATOM 318 C SER A 22 -22.532 10.903 -10.819 1.00 2.70 C ATOM 319 O SER A 22 -21.476 10.509 -11.301 1.00 3.37 O ATOM 320 CB SER A 22 -22.835 13.391 -11.074 1.00 2.74 C ATOM 321 OG SER A 22 -22.905 14.621 -10.379 1.00 2.97 O ATOM 0 H SER A 22 -20.556 12.006 -9.677 1.00 2.38 H new ATOM 0 HA SER A 22 -23.430 12.238 -9.398 1.00 2.60 H new ATOM 0 HB2 SER A 22 -22.034 13.426 -11.813 1.00 2.74 H new ATOM 0 HB3 SER A 22 -23.763 13.218 -11.618 1.00 2.74 H new ATOM 0 HG SER A 22 -22.849 14.456 -9.415 1.00 2.97 H new ATOM 327 N ASP A 23 -23.687 10.237 -10.855 1.00 2.90 N ATOM 328 CA ASP A 23 -24.078 8.876 -11.282 1.00 3.13 C ATOM 329 C ASP A 23 -23.033 8.008 -12.015 1.00 3.14 C ATOM 330 O ASP A 23 -23.238 7.605 -13.161 1.00 3.58 O ATOM 331 CB ASP A 23 -25.395 8.994 -12.074 1.00 3.44 C ATOM 332 CG ASP A 23 -26.064 7.635 -12.243 1.00 3.90 C ATOM 333 OD1 ASP A 23 -26.138 6.880 -11.249 1.00 4.28 O ATOM 334 OD2 ASP A 23 -26.599 7.317 -13.332 1.00 4.52 O ATOM 0 H ASP A 23 -24.521 10.724 -10.527 1.00 2.90 H new ATOM 0 HA ASP A 23 -24.192 8.304 -10.361 1.00 3.13 H new ATOM 0 HB2 ASP A 23 -26.073 9.673 -11.557 1.00 3.44 H new ATOM 0 HB3 ASP A 23 -25.195 9.427 -13.054 1.00 3.44 H new ATOM 339 N ASN A 24 -21.887 7.744 -11.379 1.00 2.89 N ATOM 340 CA ASN A 24 -20.677 7.163 -11.994 1.00 2.88 C ATOM 341 C ASN A 24 -20.091 8.013 -13.164 1.00 2.83 C ATOM 342 O ASN A 24 -18.979 7.753 -13.624 1.00 2.89 O ATOM 343 CB ASN A 24 -20.962 5.681 -12.349 1.00 3.26 C ATOM 344 CG ASN A 24 -19.792 4.729 -12.286 1.00 3.37 C ATOM 345 OD1 ASN A 24 -19.851 3.665 -11.681 1.00 4.01 O ATOM 346 ND2 ASN A 24 -18.705 5.035 -12.925 1.00 3.91 N ATOM 0 H ASN A 24 -21.767 7.934 -10.384 1.00 2.89 H new ATOM 0 HA ASN A 24 -19.865 7.186 -11.267 1.00 2.88 H new ATOM 0 HB2 ASN A 24 -21.736 5.313 -11.675 1.00 3.26 H new ATOM 0 HB3 ASN A 24 -21.374 5.646 -13.357 1.00 3.26 H new ATOM 0 HD21 ASN A 24 -17.912 4.393 -12.920 1.00 3.91 H new ATOM 0 HD22 ASN A 24 -18.643 5.918 -13.433 1.00 3.91 H new ATOM 353 N ILE A 25 -20.810 9.041 -13.632 1.00 2.86 N ATOM 354 CA ILE A 25 -20.535 9.955 -14.748 1.00 2.93 C ATOM 355 C ILE A 25 -19.611 11.133 -14.441 1.00 2.66 C ATOM 356 O ILE A 25 -19.096 11.743 -15.382 1.00 2.77 O ATOM 357 CB ILE A 25 -21.877 10.520 -15.272 1.00 3.17 C ATOM 358 CG1 ILE A 25 -22.794 11.118 -14.188 1.00 3.10 C ATOM 359 CG2 ILE A 25 -22.564 9.434 -16.104 1.00 3.47 C ATOM 360 CD1 ILE A 25 -23.998 11.895 -14.732 1.00 3.37 C ATOM 0 H ILE A 25 -21.697 9.279 -13.188 1.00 2.86 H new ATOM 0 HA ILE A 25 -20.004 9.349 -15.482 1.00 2.93 H new ATOM 0 HB ILE A 25 -21.655 11.383 -15.899 1.00 3.17 H new ATOM 0 HG12 ILE A 25 -23.156 10.311 -13.551 1.00 3.10 H new ATOM 0 HG13 ILE A 25 -22.204 11.782 -13.557 1.00 3.10 H new ATOM 0 HG21 ILE A 25 -23.513 9.812 -16.483 1.00 3.47 H new ATOM 0 HG22 ILE A 25 -21.923 9.157 -16.941 1.00 3.47 H new ATOM 0 HG23 ILE A 25 -22.745 8.558 -15.481 1.00 3.47 H new ATOM 0 HD11 ILE A 25 -24.588 12.280 -13.901 1.00 3.37 H new ATOM 0 HD12 ILE A 25 -23.648 12.726 -15.345 1.00 3.37 H new ATOM 0 HD13 ILE A 25 -24.615 11.232 -15.338 1.00 3.37 H new ATOM 372 N LEU A 26 -19.409 11.480 -13.171 1.00 2.41 N ATOM 373 CA LEU A 26 -18.520 12.566 -12.754 1.00 2.16 C ATOM 374 C LEU A 26 -17.490 12.066 -11.744 1.00 1.97 C ATOM 375 O LEU A 26 -17.844 11.604 -10.660 1.00 2.65 O ATOM 376 CB LEU A 26 -19.333 13.748 -12.221 1.00 2.22 C ATOM 377 CG LEU A 26 -18.431 14.966 -11.935 1.00 2.11 C ATOM 378 CD1 LEU A 26 -19.122 16.233 -12.403 1.00 2.76 C ATOM 379 CD2 LEU A 26 -18.120 15.126 -10.449 1.00 2.32 C ATOM 0 H LEU A 26 -19.865 11.008 -12.390 1.00 2.41 H new ATOM 0 HA LEU A 26 -17.965 12.921 -13.622 1.00 2.16 H new ATOM 0 HB2 LEU A 26 -20.098 14.022 -12.947 1.00 2.22 H new ATOM 0 HB3 LEU A 26 -19.850 13.454 -11.308 1.00 2.22 H new ATOM 0 HG LEU A 26 -17.497 14.798 -12.471 1.00 2.11 H new ATOM 0 HD11 LEU A 26 -18.483 17.092 -12.200 1.00 2.76 H new ATOM 0 HD12 LEU A 26 -19.314 16.168 -13.474 1.00 2.76 H new ATOM 0 HD13 LEU A 26 -20.067 16.350 -11.872 1.00 2.76 H new ATOM 0 HD21 LEU A 26 -17.482 15.998 -10.303 1.00 2.32 H new ATOM 0 HD22 LEU A 26 -19.049 15.259 -9.895 1.00 2.32 H new ATOM 0 HD23 LEU A 26 -17.606 14.236 -10.087 1.00 2.32 H new ATOM 391 N LEU A 27 -16.219 12.219 -12.113 1.00 1.59 N ATOM 392 CA LEU A 27 -15.077 11.888 -11.265 1.00 1.43 C ATOM 393 C LEU A 27 -14.547 13.164 -10.597 1.00 1.52 C ATOM 394 O LEU A 27 -14.244 14.153 -11.272 1.00 1.89 O ATOM 395 CB LEU A 27 -14.005 11.128 -12.072 1.00 1.56 C ATOM 396 CG LEU A 27 -14.289 9.619 -12.256 1.00 1.84 C ATOM 397 CD1 LEU A 27 -15.545 9.306 -13.076 1.00 2.29 C ATOM 398 CD2 LEU A 27 -13.106 8.963 -12.965 1.00 2.23 C ATOM 0 H LEU A 27 -15.950 12.583 -13.027 1.00 1.59 H new ATOM 0 HA LEU A 27 -15.386 11.213 -10.467 1.00 1.43 H new ATOM 0 HB2 LEU A 27 -13.913 11.590 -13.055 1.00 1.56 H new ATOM 0 HB3 LEU A 27 -13.043 11.245 -11.574 1.00 1.56 H new ATOM 0 HG LEU A 27 -14.447 9.229 -11.251 1.00 1.84 H new ATOM 0 HD11 LEU A 27 -15.668 8.226 -13.155 1.00 2.29 H new ATOM 0 HD12 LEU A 27 -16.417 9.735 -12.583 1.00 2.29 H new ATOM 0 HD13 LEU A 27 -15.444 9.734 -14.073 1.00 2.29 H new ATOM 0 HD21 LEU A 27 -13.304 7.899 -13.096 1.00 2.23 H new ATOM 0 HD22 LEU A 27 -12.963 9.428 -13.940 1.00 2.23 H new ATOM 0 HD23 LEU A 27 -12.205 9.093 -12.366 1.00 2.23 H new ATOM 410 N SER A 28 -14.419 13.123 -9.269 1.00 1.37 N ATOM 411 CA SER A 28 -13.805 14.168 -8.441 1.00 1.50 C ATOM 412 C SER A 28 -12.667 13.553 -7.627 1.00 1.27 C ATOM 413 O SER A 28 -12.884 12.589 -6.884 1.00 1.29 O ATOM 414 CB SER A 28 -14.857 14.797 -7.521 1.00 1.74 C ATOM 415 OG SER A 28 -14.283 15.882 -6.818 1.00 1.95 O ATOM 0 H SER A 28 -14.752 12.332 -8.718 1.00 1.37 H new ATOM 0 HA SER A 28 -13.402 14.956 -9.078 1.00 1.50 H new ATOM 0 HB2 SER A 28 -15.709 15.140 -8.107 1.00 1.74 H new ATOM 0 HB3 SER A 28 -15.232 14.053 -6.819 1.00 1.74 H new ATOM 0 HG SER A 28 -14.957 16.285 -6.231 1.00 1.95 H new ATOM 421 N GLU A 29 -11.446 14.065 -7.772 1.00 1.18 N ATOM 422 CA GLU A 29 -10.222 13.471 -7.215 1.00 0.93 C ATOM 423 C GLU A 29 -9.595 14.427 -6.181 1.00 0.84 C ATOM 424 O GLU A 29 -9.604 15.645 -6.371 1.00 1.01 O ATOM 425 CB GLU A 29 -9.225 13.130 -8.340 1.00 1.10 C ATOM 426 CG GLU A 29 -9.833 12.324 -9.502 1.00 1.34 C ATOM 427 CD GLU A 29 -8.857 12.175 -10.675 1.00 1.30 C ATOM 428 OE1 GLU A 29 -8.766 13.109 -11.506 1.00 2.28 O ATOM 429 OE2 GLU A 29 -8.217 11.107 -10.835 1.00 2.11 O ATOM 0 H GLU A 29 -11.271 14.925 -8.292 1.00 1.18 H new ATOM 0 HA GLU A 29 -10.478 12.541 -6.708 1.00 0.93 H new ATOM 0 HB2 GLU A 29 -8.809 14.057 -8.735 1.00 1.10 H new ATOM 0 HB3 GLU A 29 -8.396 12.564 -7.915 1.00 1.10 H new ATOM 0 HG2 GLU A 29 -10.123 11.336 -9.144 1.00 1.34 H new ATOM 0 HG3 GLU A 29 -10.742 12.817 -9.848 1.00 1.34 H new ATOM 436 N GLU A 30 -9.056 13.896 -5.082 1.00 0.65 N ATOM 437 CA GLU A 30 -8.501 14.668 -3.959 1.00 0.64 C ATOM 438 C GLU A 30 -7.170 14.071 -3.501 1.00 0.59 C ATOM 439 O GLU A 30 -7.109 12.870 -3.262 1.00 0.61 O ATOM 440 CB GLU A 30 -9.451 14.634 -2.748 1.00 0.70 C ATOM 441 CG GLU A 30 -10.879 15.133 -2.984 1.00 0.93 C ATOM 442 CD GLU A 30 -10.997 16.664 -3.021 1.00 1.74 C ATOM 443 OE1 GLU A 30 -10.170 17.352 -3.671 1.00 2.85 O ATOM 444 OE2 GLU A 30 -11.947 17.209 -2.402 1.00 2.43 O ATOM 0 H GLU A 30 -8.990 12.888 -4.941 1.00 0.65 H new ATOM 0 HA GLU A 30 -8.366 15.691 -4.311 1.00 0.64 H new ATOM 0 HB2 GLU A 30 -9.504 13.608 -2.385 1.00 0.70 H new ATOM 0 HB3 GLU A 30 -9.009 15.231 -1.951 1.00 0.70 H new ATOM 0 HG2 GLU A 30 -11.246 14.726 -3.926 1.00 0.93 H new ATOM 0 HG3 GLU A 30 -11.525 14.746 -2.196 1.00 0.93 H new ATOM 451 N GLN A 31 -6.128 14.877 -3.298 1.00 0.68 N ATOM 452 CA GLN A 31 -4.885 14.429 -2.660 1.00 0.74 C ATOM 453 C GLN A 31 -4.855 14.851 -1.189 1.00 0.71 C ATOM 454 O GLN A 31 -5.163 16.006 -0.857 1.00 0.80 O ATOM 455 CB GLN A 31 -3.642 14.931 -3.407 1.00 0.90 C ATOM 456 CG GLN A 31 -3.708 14.720 -4.922 1.00 1.07 C ATOM 457 CD GLN A 31 -2.302 14.679 -5.444 1.00 1.28 C ATOM 458 OE1 GLN A 31 -1.574 15.664 -5.493 1.00 1.66 O ATOM 459 NE2 GLN A 31 -1.819 13.480 -5.603 1.00 1.65 N ATOM 0 H GLN A 31 -6.119 15.860 -3.571 1.00 0.68 H new ATOM 0 HA GLN A 31 -4.864 13.340 -2.707 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -3.510 15.993 -3.202 1.00 0.90 H new ATOM 0 HB3 GLN A 31 -2.763 14.420 -3.016 1.00 0.90 H new ATOM 0 HG2 GLN A 31 -4.229 13.791 -5.155 1.00 1.07 H new ATOM 0 HG3 GLN A 31 -4.267 15.527 -5.396 1.00 1.07 H new ATOM 0 HE21 GLN A 31 -2.438 12.671 -5.559 1.00 1.65 H new ATOM 0 HE22 GLN A 31 -0.821 13.350 -5.771 1.00 1.65 H new ATOM 468 N VAL A 32 -4.468 13.927 -0.310 1.00 0.67 N ATOM 469 CA VAL A 32 -4.421 14.126 1.147 1.00 0.70 C ATOM 470 C VAL A 32 -3.167 13.508 1.773 1.00 0.71 C ATOM 471 O VAL A 32 -2.549 12.622 1.189 1.00 0.70 O ATOM 472 CB VAL A 32 -5.679 13.549 1.837 1.00 0.79 C ATOM 473 CG1 VAL A 32 -6.990 14.117 1.277 1.00 0.86 C ATOM 474 CG2 VAL A 32 -5.775 12.016 1.789 1.00 0.83 C ATOM 0 H VAL A 32 -4.170 12.994 -0.594 1.00 0.67 H new ATOM 0 HA VAL A 32 -4.389 15.204 1.307 1.00 0.70 H new ATOM 0 HB VAL A 32 -5.552 13.862 2.873 1.00 0.79 H new ATOM 0 HG11 VAL A 32 -7.834 13.672 1.804 1.00 0.86 H new ATOM 0 HG12 VAL A 32 -7.006 15.198 1.415 1.00 0.86 H new ATOM 0 HG13 VAL A 32 -7.062 13.885 0.214 1.00 0.86 H new ATOM 0 HG21 VAL A 32 -6.685 11.692 2.294 1.00 0.83 H new ATOM 0 HG22 VAL A 32 -5.799 11.685 0.751 1.00 0.83 H new ATOM 0 HG23 VAL A 32 -4.909 11.581 2.288 1.00 0.83 H new ATOM 484 N ASP A 33 -2.853 13.914 3.004 1.00 0.84 N ATOM 485 CA ASP A 33 -1.837 13.247 3.829 1.00 0.91 C ATOM 486 C ASP A 33 -2.413 11.910 4.349 1.00 0.86 C ATOM 487 O ASP A 33 -3.609 11.811 4.633 1.00 0.86 O ATOM 488 CB ASP A 33 -1.425 14.132 5.023 1.00 1.06 C ATOM 489 CG ASP A 33 -0.556 15.335 4.646 1.00 2.02 C ATOM 490 OD1 ASP A 33 0.686 15.198 4.563 1.00 2.98 O ATOM 491 OD2 ASP A 33 -1.085 16.458 4.464 1.00 3.13 O ATOM 0 H ASP A 33 -3.294 14.713 3.460 1.00 0.84 H new ATOM 0 HA ASP A 33 -0.952 13.066 3.219 1.00 0.91 H new ATOM 0 HB2 ASP A 33 -2.325 14.491 5.522 1.00 1.06 H new ATOM 0 HB3 ASP A 33 -0.884 13.520 5.744 1.00 1.06 H new ATOM 496 N VAL A 34 -1.570 10.879 4.506 1.00 0.87 N ATOM 497 CA VAL A 34 -1.980 9.493 4.862 1.00 0.83 C ATOM 498 C VAL A 34 -2.640 9.343 6.256 1.00 0.92 C ATOM 499 O VAL A 34 -3.072 8.262 6.653 1.00 1.08 O ATOM 500 CB VAL A 34 -0.803 8.520 4.628 1.00 0.96 C ATOM 501 CG1 VAL A 34 0.264 8.619 5.723 1.00 1.19 C ATOM 502 CG2 VAL A 34 -1.242 7.058 4.460 1.00 1.07 C ATOM 0 H VAL A 34 -0.561 10.977 4.389 1.00 0.87 H new ATOM 0 HA VAL A 34 -2.791 9.222 4.187 1.00 0.83 H new ATOM 0 HB VAL A 34 -0.365 8.842 3.683 1.00 0.96 H new ATOM 0 HG11 VAL A 34 1.069 7.915 5.511 1.00 1.19 H new ATOM 0 HG12 VAL A 34 0.666 9.632 5.749 1.00 1.19 H new ATOM 0 HG13 VAL A 34 -0.182 8.381 6.688 1.00 1.19 H new ATOM 0 HG21 VAL A 34 -0.365 6.431 4.299 1.00 1.07 H new ATOM 0 HG22 VAL A 34 -1.763 6.729 5.359 1.00 1.07 H new ATOM 0 HG23 VAL A 34 -1.910 6.975 3.602 1.00 1.07 H new ATOM 512 N GLU A 35 -2.754 10.436 7.006 1.00 0.96 N ATOM 513 CA GLU A 35 -3.550 10.551 8.242 1.00 1.05 C ATOM 514 C GLU A 35 -5.050 10.848 8.023 1.00 1.00 C ATOM 515 O GLU A 35 -5.862 10.711 8.945 1.00 1.12 O ATOM 516 CB GLU A 35 -2.993 11.680 9.101 1.00 1.22 C ATOM 517 CG GLU A 35 -1.482 11.658 9.331 1.00 2.86 C ATOM 518 CD GLU A 35 -1.125 12.722 10.364 1.00 2.95 C ATOM 519 OE1 GLU A 35 -1.022 13.926 10.027 1.00 3.95 O ATOM 520 OE2 GLU A 35 -0.993 12.373 11.562 1.00 2.96 O ATOM 0 H GLU A 35 -2.278 11.306 6.766 1.00 0.96 H new ATOM 0 HA GLU A 35 -3.475 9.573 8.718 1.00 1.05 H new ATOM 0 HB2 GLU A 35 -3.257 12.630 8.635 1.00 1.22 H new ATOM 0 HB3 GLU A 35 -3.490 11.652 10.071 1.00 1.22 H new ATOM 0 HG2 GLU A 35 -1.168 10.674 9.679 1.00 2.86 H new ATOM 0 HG3 GLU A 35 -0.955 11.848 8.396 1.00 2.86 H new ATOM 527 N LEU A 36 -5.420 11.314 6.825 1.00 0.89 N ATOM 528 CA LEU A 36 -6.725 11.925 6.517 1.00 0.89 C ATOM 529 C LEU A 36 -7.646 11.073 5.631 1.00 0.78 C ATOM 530 O LEU A 36 -8.826 11.401 5.454 1.00 0.85 O ATOM 531 CB LEU A 36 -6.448 13.299 5.877 1.00 0.95 C ATOM 532 CG LEU A 36 -5.394 14.176 6.589 1.00 1.13 C ATOM 533 CD1 LEU A 36 -5.223 15.495 5.843 1.00 1.21 C ATOM 534 CD2 LEU A 36 -5.790 14.486 8.028 1.00 1.33 C ATOM 0 H LEU A 36 -4.802 11.277 6.015 1.00 0.89 H new ATOM 0 HA LEU A 36 -7.280 12.018 7.450 1.00 0.89 H new ATOM 0 HB2 LEU A 36 -6.125 13.140 4.848 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -7.385 13.854 5.835 1.00 0.95 H new ATOM 0 HG LEU A 36 -4.461 13.613 6.596 1.00 1.13 H new ATOM 0 HD11 LEU A 36 -4.478 16.107 6.352 1.00 1.21 H new ATOM 0 HD12 LEU A 36 -4.894 15.296 4.823 1.00 1.21 H new ATOM 0 HD13 LEU A 36 -6.175 16.026 5.820 1.00 1.21 H new ATOM 0 HD21 LEU A 36 -5.022 15.105 8.492 1.00 1.33 H new ATOM 0 HD22 LEU A 36 -6.740 15.020 8.037 1.00 1.33 H new ATOM 0 HD23 LEU A 36 -5.892 13.555 8.586 1.00 1.33 H new ATOM 546 N VAL A 37 -7.102 9.986 5.089 1.00 0.71 N ATOM 547 CA VAL A 37 -7.833 8.913 4.407 1.00 0.68 C ATOM 548 C VAL A 37 -8.380 7.920 5.441 1.00 0.82 C ATOM 549 O VAL A 37 -7.791 7.747 6.511 1.00 1.46 O ATOM 550 CB VAL A 37 -6.921 8.254 3.350 1.00 0.64 C ATOM 551 CG1 VAL A 37 -5.687 7.557 3.944 1.00 0.82 C ATOM 552 CG2 VAL A 37 -7.670 7.251 2.471 1.00 0.86 C ATOM 0 H VAL A 37 -6.096 9.819 5.112 1.00 0.71 H new ATOM 0 HA VAL A 37 -8.694 9.315 3.873 1.00 0.68 H new ATOM 0 HB VAL A 37 -6.581 9.091 2.741 1.00 0.64 H new ATOM 0 HG11 VAL A 37 -5.095 7.118 3.141 1.00 0.82 H new ATOM 0 HG12 VAL A 37 -5.082 8.286 4.484 1.00 0.82 H new ATOM 0 HG13 VAL A 37 -6.007 6.772 4.629 1.00 0.82 H new ATOM 0 HG21 VAL A 37 -6.981 6.818 1.746 1.00 0.86 H new ATOM 0 HG22 VAL A 37 -8.085 6.460 3.095 1.00 0.86 H new ATOM 0 HG23 VAL A 37 -8.478 7.760 1.945 1.00 0.86 H new ATOM 562 N GLN A 38 -9.496 7.256 5.138 1.00 0.70 N ATOM 563 CA GLN A 38 -10.069 6.187 5.966 1.00 0.71 C ATOM 564 C GLN A 38 -10.221 4.843 5.238 1.00 0.67 C ATOM 565 O GLN A 38 -10.264 4.771 4.008 1.00 0.67 O ATOM 566 CB GLN A 38 -11.362 6.667 6.652 1.00 0.85 C ATOM 567 CG GLN A 38 -12.597 6.793 5.752 1.00 2.28 C ATOM 568 CD GLN A 38 -13.832 6.868 6.616 1.00 2.43 C ATOM 569 OE1 GLN A 38 -14.627 5.946 6.721 1.00 3.81 O ATOM 570 NE2 GLN A 38 -13.992 7.928 7.358 1.00 1.70 N ATOM 0 H GLN A 38 -10.039 7.447 4.296 1.00 0.70 H new ATOM 0 HA GLN A 38 -9.344 5.969 6.750 1.00 0.71 H new ATOM 0 HB2 GLN A 38 -11.597 5.977 7.462 1.00 0.85 H new ATOM 0 HB3 GLN A 38 -11.169 7.638 7.107 1.00 0.85 H new ATOM 0 HG2 GLN A 38 -12.519 7.684 5.129 1.00 2.28 H new ATOM 0 HG3 GLN A 38 -12.660 5.938 5.079 1.00 2.28 H new ATOM 0 HE21 GLN A 38 -13.337 8.707 7.283 1.00 1.70 H new ATOM 0 HE22 GLN A 38 -14.772 7.979 8.014 1.00 1.70 H new ATOM 579 N ARG A 39 -10.340 3.760 6.016 1.00 0.75 N ATOM 580 CA ARG A 39 -10.495 2.362 5.553 1.00 0.85 C ATOM 581 C ARG A 39 -11.897 2.038 5.007 1.00 0.95 C ATOM 582 O ARG A 39 -12.524 1.046 5.381 1.00 1.78 O ATOM 583 CB ARG A 39 -10.008 1.401 6.648 1.00 1.13 C ATOM 584 CG ARG A 39 -10.879 1.370 7.913 1.00 1.39 C ATOM 585 CD ARG A 39 -10.034 1.162 9.176 1.00 1.91 C ATOM 586 NE ARG A 39 -10.858 1.255 10.393 1.00 2.23 N ATOM 587 CZ ARG A 39 -10.425 1.171 11.637 1.00 3.55 C ATOM 588 NH1 ARG A 39 -9.209 0.842 11.953 1.00 4.86 N ATOM 589 NH2 ARG A 39 -11.209 1.390 12.644 1.00 3.81 N ATOM 0 H ARG A 39 -10.331 3.830 7.034 1.00 0.75 H new ATOM 0 HA ARG A 39 -9.858 2.221 4.680 1.00 0.85 H new ATOM 0 HB2 ARG A 39 -9.959 0.394 6.233 1.00 1.13 H new ATOM 0 HB3 ARG A 39 -8.992 1.679 6.930 1.00 1.13 H new ATOM 0 HG2 ARG A 39 -11.434 2.304 7.996 1.00 1.39 H new ATOM 0 HG3 ARG A 39 -11.614 0.569 7.830 1.00 1.39 H new ATOM 0 HD2 ARG A 39 -9.550 0.186 9.136 1.00 1.91 H new ATOM 0 HD3 ARG A 39 -9.241 1.909 9.213 1.00 1.91 H new ATOM 0 HE ARG A 39 -11.859 1.398 10.262 1.00 2.23 H new ATOM 0 HH11 ARG A 39 -8.531 0.632 11.221 1.00 4.86 H new ATOM 0 HH12 ARG A 39 -8.932 0.794 12.934 1.00 4.86 H new ATOM 0 HH21 ARG A 39 -12.187 1.634 12.486 1.00 3.81 H new ATOM 0 HH22 ARG A 39 -10.849 1.318 13.596 1.00 3.81 H new ATOM 603 N GLY A 40 -12.408 2.915 4.147 1.00 0.85 N ATOM 604 CA GLY A 40 -13.764 2.868 3.595 1.00 0.88 C ATOM 605 C GLY A 40 -13.936 3.704 2.319 1.00 0.85 C ATOM 606 O GLY A 40 -15.050 4.137 2.021 1.00 1.18 O ATOM 0 H GLY A 40 -11.870 3.709 3.801 1.00 0.85 H new ATOM 0 HA2 GLY A 40 -14.024 1.832 3.378 1.00 0.88 H new ATOM 0 HA3 GLY A 40 -14.467 3.222 4.349 1.00 0.88 H new ATOM 610 N ASP A 41 -12.854 3.980 1.586 1.00 0.81 N ATOM 611 CA ASP A 41 -12.838 4.703 0.305 1.00 0.97 C ATOM 612 C ASP A 41 -12.047 3.922 -0.772 1.00 0.78 C ATOM 613 O ASP A 41 -11.420 2.891 -0.479 1.00 0.71 O ATOM 614 CB ASP A 41 -12.281 6.126 0.528 1.00 1.21 C ATOM 615 CG ASP A 41 -13.383 7.119 0.907 1.00 1.72 C ATOM 616 OD1 ASP A 41 -14.242 7.408 0.037 1.00 2.86 O ATOM 617 OD2 ASP A 41 -13.422 7.599 2.066 1.00 1.87 O ATOM 0 H ASP A 41 -11.920 3.693 1.880 1.00 0.81 H new ATOM 0 HA ASP A 41 -13.857 4.791 -0.073 1.00 0.97 H new ATOM 0 HB2 ASP A 41 -11.528 6.102 1.316 1.00 1.21 H new ATOM 0 HB3 ASP A 41 -11.782 6.467 -0.379 1.00 1.21 H new ATOM 622 N ILE A 42 -12.098 4.413 -2.017 1.00 0.78 N ATOM 623 CA ILE A 42 -11.383 3.895 -3.193 1.00 0.67 C ATOM 624 C ILE A 42 -10.254 4.857 -3.588 1.00 0.60 C ATOM 625 O ILE A 42 -10.490 6.045 -3.831 1.00 0.63 O ATOM 626 CB ILE A 42 -12.349 3.658 -4.374 1.00 0.72 C ATOM 627 CG1 ILE A 42 -13.526 2.729 -4.008 1.00 0.93 C ATOM 628 CG2 ILE A 42 -11.590 3.105 -5.597 1.00 0.71 C ATOM 629 CD1 ILE A 42 -13.147 1.339 -3.480 1.00 1.42 C ATOM 0 H ILE A 42 -12.670 5.226 -2.244 1.00 0.78 H new ATOM 0 HA ILE A 42 -10.944 2.932 -2.933 1.00 0.67 H new ATOM 0 HB ILE A 42 -12.776 4.629 -4.625 1.00 0.72 H new ATOM 0 HG12 ILE A 42 -14.136 3.228 -3.255 1.00 0.93 H new ATOM 0 HG13 ILE A 42 -14.151 2.602 -4.892 1.00 0.93 H new ATOM 0 HG21 ILE A 42 -12.289 2.945 -6.418 1.00 0.71 H new ATOM 0 HG22 ILE A 42 -10.826 3.819 -5.905 1.00 0.71 H new ATOM 0 HG23 ILE A 42 -11.117 2.159 -5.334 1.00 0.71 H new ATOM 0 HD11 ILE A 42 -14.053 0.775 -3.256 1.00 1.42 H new ATOM 0 HD12 ILE A 42 -12.567 0.809 -4.235 1.00 1.42 H new ATOM 0 HD13 ILE A 42 -12.552 1.444 -2.573 1.00 1.42 H new ATOM 641 N ILE A 43 -9.023 4.344 -3.652 1.00 0.56 N ATOM 642 CA ILE A 43 -7.788 5.117 -3.820 1.00 0.60 C ATOM 643 C ILE A 43 -7.103 4.736 -5.138 1.00 0.58 C ATOM 644 O ILE A 43 -6.846 3.554 -5.387 1.00 0.65 O ATOM 645 CB ILE A 43 -6.857 4.843 -2.610 1.00 0.70 C ATOM 646 CG1 ILE A 43 -7.546 5.015 -1.233 1.00 0.80 C ATOM 647 CG2 ILE A 43 -5.576 5.691 -2.665 1.00 0.79 C ATOM 648 CD1 ILE A 43 -8.183 6.388 -0.981 1.00 0.90 C ATOM 0 H ILE A 43 -8.852 3.341 -3.586 1.00 0.56 H new ATOM 0 HA ILE A 43 -8.017 6.182 -3.859 1.00 0.60 H new ATOM 0 HB ILE A 43 -6.591 3.790 -2.701 1.00 0.70 H new ATOM 0 HG12 ILE A 43 -8.318 4.252 -1.135 1.00 0.80 H new ATOM 0 HG13 ILE A 43 -6.810 4.826 -0.452 1.00 0.80 H new ATOM 0 HG21 ILE A 43 -4.954 5.467 -1.799 1.00 0.79 H new ATOM 0 HG22 ILE A 43 -5.025 5.460 -3.577 1.00 0.79 H new ATOM 0 HG23 ILE A 43 -5.839 6.749 -2.659 1.00 0.79 H new ATOM 0 HD11 ILE A 43 -8.637 6.402 0.010 1.00 0.90 H new ATOM 0 HD12 ILE A 43 -7.417 7.161 -1.040 1.00 0.90 H new ATOM 0 HD13 ILE A 43 -8.948 6.578 -1.734 1.00 0.90 H new ATOM 660 N LYS A 44 -6.796 5.720 -5.991 1.00 0.67 N ATOM 661 CA LYS A 44 -6.172 5.490 -7.310 1.00 0.76 C ATOM 662 C LYS A 44 -4.647 5.604 -7.276 1.00 0.78 C ATOM 663 O LYS A 44 -4.095 6.497 -6.626 1.00 0.89 O ATOM 664 CB LYS A 44 -6.797 6.396 -8.377 1.00 1.03 C ATOM 665 CG LYS A 44 -8.268 6.000 -8.580 1.00 2.80 C ATOM 666 CD LYS A 44 -8.888 6.618 -9.833 1.00 2.90 C ATOM 667 CE LYS A 44 -8.389 5.958 -11.118 1.00 1.76 C ATOM 668 NZ LYS A 44 -9.166 6.409 -12.292 1.00 2.20 N ATOM 0 H LYS A 44 -6.972 6.704 -5.790 1.00 0.67 H new ATOM 0 HA LYS A 44 -6.382 4.457 -7.586 1.00 0.76 H new ATOM 0 HB2 LYS A 44 -6.728 7.440 -8.070 1.00 1.03 H new ATOM 0 HB3 LYS A 44 -6.250 6.303 -9.315 1.00 1.03 H new ATOM 0 HG2 LYS A 44 -8.340 4.914 -8.644 1.00 2.80 H new ATOM 0 HG3 LYS A 44 -8.844 6.307 -7.707 1.00 2.80 H new ATOM 0 HD2 LYS A 44 -9.973 6.528 -9.780 1.00 2.90 H new ATOM 0 HD3 LYS A 44 -8.657 7.683 -9.862 1.00 2.90 H new ATOM 0 HE2 LYS A 44 -7.335 6.194 -11.265 1.00 1.76 H new ATOM 0 HE3 LYS A 44 -8.463 4.875 -11.025 1.00 1.76 H new ATOM 0 HZ1 LYS A 44 -8.803 5.943 -13.148 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 -10.168 6.162 -12.161 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 -9.075 7.440 -12.394 1.00 2.20 H new ATOM 682 N VAL A 45 -3.962 4.718 -8.000 1.00 0.79 N ATOM 683 CA VAL A 45 -2.488 4.659 -8.082 1.00 0.84 C ATOM 684 C VAL A 45 -1.984 4.773 -9.528 1.00 0.95 C ATOM 685 O VAL A 45 -2.686 4.366 -10.457 1.00 1.16 O ATOM 686 CB VAL A 45 -1.969 3.384 -7.379 1.00 0.79 C ATOM 687 CG1 VAL A 45 -2.072 2.136 -8.261 1.00 0.81 C ATOM 688 CG2 VAL A 45 -0.515 3.502 -6.909 1.00 0.82 C ATOM 0 H VAL A 45 -4.421 4.001 -8.562 1.00 0.79 H new ATOM 0 HA VAL A 45 -2.082 5.524 -7.557 1.00 0.84 H new ATOM 0 HB VAL A 45 -2.622 3.280 -6.513 1.00 0.79 H new ATOM 0 HG11 VAL A 45 -1.693 1.272 -7.715 1.00 0.81 H new ATOM 0 HG12 VAL A 45 -3.114 1.966 -8.531 1.00 0.81 H new ATOM 0 HG13 VAL A 45 -1.482 2.280 -9.166 1.00 0.81 H new ATOM 0 HG21 VAL A 45 -0.213 2.574 -6.424 1.00 0.82 H new ATOM 0 HG22 VAL A 45 0.131 3.690 -7.767 1.00 0.82 H new ATOM 0 HG23 VAL A 45 -0.427 4.326 -6.201 1.00 0.82 H new ATOM 698 N VAL A 46 -0.756 5.274 -9.705 1.00 0.86 N ATOM 699 CA VAL A 46 -0.022 5.325 -10.989 1.00 0.89 C ATOM 700 C VAL A 46 1.358 4.628 -10.916 1.00 0.58 C ATOM 701 O VAL A 46 1.857 4.392 -9.807 1.00 0.71 O ATOM 702 CB VAL A 46 0.128 6.784 -11.473 1.00 1.38 C ATOM 703 CG1 VAL A 46 -1.224 7.490 -11.602 1.00 1.83 C ATOM 704 CG2 VAL A 46 1.056 7.623 -10.588 1.00 1.58 C ATOM 0 H VAL A 46 -0.220 5.672 -8.933 1.00 0.86 H new ATOM 0 HA VAL A 46 -0.617 4.770 -11.715 1.00 0.89 H new ATOM 0 HB VAL A 46 0.586 6.706 -12.459 1.00 1.38 H new ATOM 0 HG11 VAL A 46 -1.069 8.513 -11.945 1.00 1.83 H new ATOM 0 HG12 VAL A 46 -1.846 6.957 -12.321 1.00 1.83 H new ATOM 0 HG13 VAL A 46 -1.721 7.504 -10.632 1.00 1.83 H new ATOM 0 HG21 VAL A 46 1.117 8.637 -10.984 1.00 1.58 H new ATOM 0 HG22 VAL A 46 0.661 7.653 -9.572 1.00 1.58 H new ATOM 0 HG23 VAL A 46 2.050 7.177 -10.578 1.00 1.58 H new ATOM 714 N PRO A 47 2.025 4.326 -12.054 1.00 0.63 N ATOM 715 CA PRO A 47 3.364 3.728 -12.062 1.00 0.75 C ATOM 716 C PRO A 47 4.399 4.613 -11.346 1.00 0.75 C ATOM 717 O PRO A 47 4.570 5.785 -11.692 1.00 0.77 O ATOM 718 CB PRO A 47 3.727 3.507 -13.538 1.00 1.01 C ATOM 719 CG PRO A 47 2.394 3.542 -14.275 1.00 1.41 C ATOM 720 CD PRO A 47 1.534 4.462 -13.420 1.00 0.93 C ATOM 0 HA PRO A 47 3.369 2.787 -11.512 1.00 0.75 H new ATOM 0 HB2 PRO A 47 4.400 4.284 -13.901 1.00 1.01 H new ATOM 0 HB3 PRO A 47 4.234 2.553 -13.682 1.00 1.01 H new ATOM 0 HG2 PRO A 47 2.507 3.927 -15.289 1.00 1.41 H new ATOM 0 HG3 PRO A 47 1.956 2.547 -14.358 1.00 1.41 H new ATOM 0 HD2 PRO A 47 1.612 5.495 -13.760 1.00 0.93 H new ATOM 0 HD3 PRO A 47 0.482 4.183 -13.485 1.00 0.93 H new ATOM 728 N GLY A 48 5.079 4.047 -10.346 1.00 1.07 N ATOM 729 CA GLY A 48 6.062 4.714 -9.478 1.00 1.25 C ATOM 730 C GLY A 48 5.492 5.387 -8.218 1.00 1.39 C ATOM 731 O GLY A 48 6.254 5.694 -7.296 1.00 1.60 O ATOM 0 H GLY A 48 4.956 3.064 -10.105 1.00 1.07 H new ATOM 0 HA2 GLY A 48 6.805 3.979 -9.170 1.00 1.25 H new ATOM 0 HA3 GLY A 48 6.585 5.469 -10.066 1.00 1.25 H new ATOM 735 N GLY A 49 4.167 5.575 -8.122 1.00 1.38 N ATOM 736 CA GLY A 49 3.515 6.347 -7.050 1.00 1.71 C ATOM 737 C GLY A 49 3.450 5.693 -5.659 1.00 2.18 C ATOM 738 O GLY A 49 3.096 6.380 -4.700 1.00 4.39 O ATOM 0 H GLY A 49 3.507 5.189 -8.797 1.00 1.38 H new ATOM 0 HA2 GLY A 49 4.037 7.299 -6.953 1.00 1.71 H new ATOM 0 HA3 GLY A 49 2.497 6.573 -7.366 1.00 1.71 H new ATOM 742 N LYS A 50 3.826 4.407 -5.545 1.00 0.94 N ATOM 743 CA LYS A 50 3.812 3.557 -4.326 1.00 0.94 C ATOM 744 C LYS A 50 2.424 3.323 -3.697 1.00 0.97 C ATOM 745 O LYS A 50 1.476 4.081 -3.908 1.00 1.36 O ATOM 746 CB LYS A 50 4.812 4.094 -3.279 1.00 0.97 C ATOM 747 CG LYS A 50 6.273 4.090 -3.747 1.00 0.93 C ATOM 748 CD LYS A 50 7.139 4.916 -2.787 1.00 1.17 C ATOM 749 CE LYS A 50 8.626 4.691 -3.073 1.00 1.07 C ATOM 750 NZ LYS A 50 9.478 5.703 -2.418 1.00 1.63 N ATOM 0 H LYS A 50 4.173 3.892 -6.354 1.00 0.94 H new ATOM 0 HA LYS A 50 4.125 2.570 -4.668 1.00 0.94 H new ATOM 0 HB2 LYS A 50 4.530 5.113 -3.012 1.00 0.97 H new ATOM 0 HB3 LYS A 50 4.730 3.493 -2.373 1.00 0.97 H new ATOM 0 HG2 LYS A 50 6.645 3.066 -3.794 1.00 0.93 H new ATOM 0 HG3 LYS A 50 6.341 4.501 -4.754 1.00 0.93 H new ATOM 0 HD2 LYS A 50 6.899 5.974 -2.891 1.00 1.17 H new ATOM 0 HD3 LYS A 50 6.915 4.639 -1.757 1.00 1.17 H new ATOM 0 HE2 LYS A 50 8.914 3.698 -2.729 1.00 1.07 H new ATOM 0 HE3 LYS A 50 8.795 4.717 -4.149 1.00 1.07 H new ATOM 0 HZ1 LYS A 50 10.476 5.512 -2.639 1.00 1.63 H new ATOM 0 HZ2 LYS A 50 9.222 6.649 -2.765 1.00 1.63 H new ATOM 0 HZ3 LYS A 50 9.337 5.662 -1.388 1.00 1.63 H new ATOM 764 N PHE A 51 2.310 2.253 -2.903 1.00 0.73 N ATOM 765 CA PHE A 51 1.103 1.924 -2.129 1.00 0.69 C ATOM 766 C PHE A 51 1.179 2.519 -0.704 1.00 0.70 C ATOM 767 O PHE A 51 2.074 2.136 0.053 1.00 0.73 O ATOM 768 CB PHE A 51 0.913 0.401 -2.073 1.00 0.67 C ATOM 769 CG PHE A 51 0.606 -0.246 -3.413 1.00 0.61 C ATOM 770 CD1 PHE A 51 -0.715 -0.290 -3.898 1.00 1.96 C ATOM 771 CD2 PHE A 51 1.642 -0.822 -4.171 1.00 2.13 C ATOM 772 CE1 PHE A 51 -0.995 -0.909 -5.131 1.00 1.96 C ATOM 773 CE2 PHE A 51 1.364 -1.436 -5.402 1.00 2.13 C ATOM 774 CZ PHE A 51 0.045 -1.482 -5.885 1.00 0.62 C ATOM 0 H PHE A 51 3.065 1.579 -2.776 1.00 0.73 H new ATOM 0 HA PHE A 51 0.241 2.367 -2.628 1.00 0.69 H new ATOM 0 HB2 PHE A 51 1.817 -0.050 -1.665 1.00 0.67 H new ATOM 0 HB3 PHE A 51 0.103 0.174 -1.380 1.00 0.67 H new ATOM 0 HD1 PHE A 51 -1.515 0.152 -3.323 1.00 1.96 H new ATOM 0 HD2 PHE A 51 2.657 -0.791 -3.803 1.00 2.13 H new ATOM 0 HE1 PHE A 51 -2.010 -0.944 -5.499 1.00 1.96 H new ATOM 0 HE2 PHE A 51 2.165 -1.874 -5.979 1.00 2.13 H new ATOM 0 HZ PHE A 51 -0.169 -1.956 -6.832 1.00 0.62 H new ATOM 784 N PRO A 52 0.259 3.416 -0.290 1.00 0.70 N ATOM 785 CA PRO A 52 0.299 4.046 1.036 1.00 0.68 C ATOM 786 C PRO A 52 -0.414 3.248 2.149 1.00 0.67 C ATOM 787 O PRO A 52 -0.233 3.560 3.322 1.00 0.68 O ATOM 788 CB PRO A 52 -0.341 5.424 0.821 1.00 0.73 C ATOM 789 CG PRO A 52 -1.376 5.169 -0.273 1.00 0.77 C ATOM 790 CD PRO A 52 -0.723 4.088 -1.135 1.00 0.74 C ATOM 0 HA PRO A 52 1.325 4.100 1.401 1.00 0.68 H new ATOM 0 HB2 PRO A 52 -0.805 5.798 1.734 1.00 0.73 H new ATOM 0 HB3 PRO A 52 0.396 6.165 0.512 1.00 0.73 H new ATOM 0 HG2 PRO A 52 -2.325 4.832 0.143 1.00 0.77 H new ATOM 0 HG3 PRO A 52 -1.583 6.071 -0.849 1.00 0.77 H new ATOM 0 HD2 PRO A 52 -1.468 3.381 -1.500 1.00 0.74 H new ATOM 0 HD3 PRO A 52 -0.245 4.527 -2.010 1.00 0.74 H new ATOM 798 N VAL A 53 -1.216 2.233 1.804 1.00 0.68 N ATOM 799 CA VAL A 53 -2.058 1.426 2.717 1.00 0.69 C ATOM 800 C VAL A 53 -2.173 -0.022 2.206 1.00 0.62 C ATOM 801 O VAL A 53 -1.771 -0.294 1.074 1.00 0.67 O ATOM 802 CB VAL A 53 -3.458 2.046 2.914 1.00 0.88 C ATOM 803 CG1 VAL A 53 -3.396 3.345 3.728 1.00 1.09 C ATOM 804 CG2 VAL A 53 -4.177 2.327 1.592 1.00 1.04 C ATOM 0 H VAL A 53 -1.305 1.932 0.834 1.00 0.68 H new ATOM 0 HA VAL A 53 -1.568 1.419 3.691 1.00 0.69 H new ATOM 0 HB VAL A 53 -4.028 1.296 3.463 1.00 0.88 H new ATOM 0 HG11 VAL A 53 -4.401 3.750 3.844 1.00 1.09 H new ATOM 0 HG12 VAL A 53 -2.972 3.139 4.711 1.00 1.09 H new ATOM 0 HG13 VAL A 53 -2.771 4.071 3.208 1.00 1.09 H new ATOM 0 HG21 VAL A 53 -5.156 2.762 1.795 1.00 1.04 H new ATOM 0 HG22 VAL A 53 -3.586 3.024 0.998 1.00 1.04 H new ATOM 0 HG23 VAL A 53 -4.302 1.395 1.040 1.00 1.04 H new ATOM 814 N ASP A 54 -2.693 -0.954 3.017 1.00 0.61 N ATOM 815 CA ASP A 54 -2.932 -2.354 2.610 1.00 0.58 C ATOM 816 C ASP A 54 -4.422 -2.663 2.347 1.00 0.60 C ATOM 817 O ASP A 54 -5.317 -2.078 2.970 1.00 0.69 O ATOM 818 CB ASP A 54 -2.195 -3.352 3.532 1.00 0.72 C ATOM 819 CG ASP A 54 -2.959 -3.924 4.727 1.00 0.80 C ATOM 820 OD1 ASP A 54 -3.648 -4.957 4.538 1.00 1.61 O ATOM 821 OD2 ASP A 54 -2.752 -3.435 5.860 1.00 1.70 O ATOM 0 H ASP A 54 -2.963 -0.760 3.981 1.00 0.61 H new ATOM 0 HA ASP A 54 -2.476 -2.496 1.630 1.00 0.58 H new ATOM 0 HB2 ASP A 54 -1.860 -4.188 2.919 1.00 0.72 H new ATOM 0 HB3 ASP A 54 -1.301 -2.858 3.913 1.00 0.72 H new ATOM 826 N GLY A 55 -4.688 -3.538 1.369 1.00 0.59 N ATOM 827 CA GLY A 55 -6.050 -3.835 0.901 1.00 0.70 C ATOM 828 C GLY A 55 -6.113 -4.618 -0.419 1.00 0.60 C ATOM 829 O GLY A 55 -5.142 -5.272 -0.806 1.00 0.59 O ATOM 0 H GLY A 55 -3.964 -4.062 0.878 1.00 0.59 H new ATOM 0 HA2 GLY A 55 -6.569 -4.404 1.672 1.00 0.70 H new ATOM 0 HA3 GLY A 55 -6.591 -2.897 0.779 1.00 0.70 H new ATOM 833 N ARG A 56 -7.262 -4.546 -1.108 1.00 0.62 N ATOM 834 CA ARG A 56 -7.539 -5.259 -2.374 1.00 0.57 C ATOM 835 C ARG A 56 -7.589 -4.321 -3.591 1.00 0.54 C ATOM 836 O ARG A 56 -8.130 -3.220 -3.532 1.00 0.58 O ATOM 837 CB ARG A 56 -8.798 -6.142 -2.221 1.00 0.69 C ATOM 838 CG ARG A 56 -8.949 -7.194 -3.338 1.00 0.78 C ATOM 839 CD ARG A 56 -10.070 -8.218 -3.097 1.00 0.97 C ATOM 840 NE ARG A 56 -11.427 -7.650 -3.191 1.00 1.77 N ATOM 841 CZ ARG A 56 -12.181 -7.200 -2.201 1.00 2.46 C ATOM 842 NH1 ARG A 56 -11.809 -7.235 -0.951 1.00 3.25 N ATOM 843 NH2 ARG A 56 -13.354 -6.698 -2.444 1.00 3.60 N ATOM 0 H ARG A 56 -8.048 -3.976 -0.795 1.00 0.62 H new ATOM 0 HA ARG A 56 -6.699 -5.922 -2.582 1.00 0.57 H new ATOM 0 HB2 ARG A 56 -8.762 -6.649 -1.257 1.00 0.69 H new ATOM 0 HB3 ARG A 56 -9.681 -5.503 -2.212 1.00 0.69 H new ATOM 0 HG2 ARG A 56 -9.139 -6.681 -4.281 1.00 0.78 H new ATOM 0 HG3 ARG A 56 -8.004 -7.727 -3.449 1.00 0.78 H new ATOM 0 HD2 ARG A 56 -9.973 -9.025 -3.823 1.00 0.97 H new ATOM 0 HD3 ARG A 56 -9.939 -8.660 -2.109 1.00 0.97 H new ATOM 0 HE ARG A 56 -11.831 -7.598 -4.126 1.00 1.77 H new ATOM 0 HH11 ARG A 56 -10.899 -7.622 -0.700 1.00 3.25 H new ATOM 0 HH12 ARG A 56 -12.428 -6.875 -0.224 1.00 3.25 H new ATOM 0 HH21 ARG A 56 -13.699 -6.649 -3.403 1.00 3.60 H new ATOM 0 HH22 ARG A 56 -13.930 -6.353 -1.676 1.00 3.60 H new ATOM 857 N VAL A 57 -7.030 -4.786 -4.705 1.00 0.53 N ATOM 858 CA VAL A 57 -7.084 -4.203 -6.053 1.00 0.50 C ATOM 859 C VAL A 57 -8.260 -4.837 -6.788 1.00 0.59 C ATOM 860 O VAL A 57 -8.360 -6.062 -6.804 1.00 0.69 O ATOM 861 CB VAL A 57 -5.790 -4.532 -6.833 1.00 0.50 C ATOM 862 CG1 VAL A 57 -5.833 -3.982 -8.265 1.00 0.56 C ATOM 863 CG2 VAL A 57 -4.533 -3.989 -6.143 1.00 0.62 C ATOM 0 H VAL A 57 -6.484 -5.647 -4.693 1.00 0.53 H new ATOM 0 HA VAL A 57 -7.192 -3.121 -5.980 1.00 0.50 H new ATOM 0 HB VAL A 57 -5.737 -5.620 -6.858 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -4.906 -4.234 -8.780 1.00 0.56 H new ATOM 0 HG12 VAL A 57 -6.675 -4.422 -8.799 1.00 0.56 H new ATOM 0 HG13 VAL A 57 -5.948 -2.899 -8.235 1.00 0.56 H new ATOM 0 HG21 VAL A 57 -3.654 -4.248 -6.733 1.00 0.62 H new ATOM 0 HG22 VAL A 57 -4.605 -2.905 -6.056 1.00 0.62 H new ATOM 0 HG23 VAL A 57 -4.445 -4.428 -5.149 1.00 0.62 H new ATOM 873 N ILE A 58 -9.121 -4.055 -7.444 1.00 0.64 N ATOM 874 CA ILE A 58 -10.255 -4.599 -8.232 1.00 0.83 C ATOM 875 C ILE A 58 -10.483 -3.844 -9.554 1.00 0.90 C ATOM 876 O ILE A 58 -11.557 -3.905 -10.151 1.00 1.16 O ATOM 877 CB ILE A 58 -11.544 -4.627 -7.363 1.00 0.97 C ATOM 878 CG1 ILE A 58 -11.670 -3.329 -6.536 1.00 0.96 C ATOM 879 CG2 ILE A 58 -11.565 -5.860 -6.445 1.00 1.01 C ATOM 880 CD1 ILE A 58 -13.068 -3.088 -5.959 1.00 1.15 C ATOM 0 H ILE A 58 -9.063 -3.037 -7.451 1.00 0.64 H new ATOM 0 HA ILE A 58 -9.996 -5.620 -8.513 1.00 0.83 H new ATOM 0 HB ILE A 58 -12.401 -4.693 -8.033 1.00 0.97 H new ATOM 0 HG12 ILE A 58 -10.951 -3.362 -5.717 1.00 0.96 H new ATOM 0 HG13 ILE A 58 -11.398 -2.482 -7.166 1.00 0.96 H new ATOM 0 HG21 ILE A 58 -12.477 -5.854 -5.849 1.00 1.01 H new ATOM 0 HG22 ILE A 58 -11.533 -6.765 -7.051 1.00 1.01 H new ATOM 0 HG23 ILE A 58 -10.699 -5.836 -5.783 1.00 1.01 H new ATOM 0 HD11 ILE A 58 -13.072 -2.157 -5.392 1.00 1.15 H new ATOM 0 HD12 ILE A 58 -13.791 -3.021 -6.772 1.00 1.15 H new ATOM 0 HD13 ILE A 58 -13.338 -3.914 -5.301 1.00 1.15 H new ATOM 892 N GLU A 59 -9.412 -3.289 -10.117 1.00 0.75 N ATOM 893 CA GLU A 59 -9.370 -2.721 -11.466 1.00 0.80 C ATOM 894 C GLU A 59 -7.904 -2.483 -11.863 1.00 0.68 C ATOM 895 O GLU A 59 -7.126 -1.970 -11.054 1.00 0.69 O ATOM 896 CB GLU A 59 -10.150 -1.389 -11.517 1.00 0.99 C ATOM 897 CG GLU A 59 -11.228 -1.326 -12.602 1.00 1.69 C ATOM 898 CD GLU A 59 -10.692 -1.572 -14.015 1.00 1.89 C ATOM 899 OE1 GLU A 59 -10.227 -0.616 -14.674 1.00 2.25 O ATOM 900 OE2 GLU A 59 -10.766 -2.727 -14.500 1.00 3.51 O ATOM 0 H GLU A 59 -8.518 -3.219 -9.631 1.00 0.75 H new ATOM 0 HA GLU A 59 -9.835 -3.418 -12.163 1.00 0.80 H new ATOM 0 HB2 GLU A 59 -10.618 -1.219 -10.547 1.00 0.99 H new ATOM 0 HB3 GLU A 59 -9.443 -0.575 -11.677 1.00 0.99 H new ATOM 0 HG2 GLU A 59 -11.998 -2.065 -12.381 1.00 1.69 H new ATOM 0 HG3 GLU A 59 -11.707 -0.348 -12.570 1.00 1.69 H new ATOM 907 N GLY A 60 -7.545 -2.812 -13.105 1.00 0.65 N ATOM 908 CA GLY A 60 -6.194 -2.642 -13.638 1.00 0.66 C ATOM 909 C GLY A 60 -5.219 -3.773 -13.287 1.00 0.70 C ATOM 910 O GLY A 60 -5.556 -4.758 -12.629 1.00 0.81 O ATOM 0 H GLY A 60 -8.197 -3.211 -13.780 1.00 0.65 H new ATOM 0 HA2 GLY A 60 -6.254 -2.556 -14.723 1.00 0.66 H new ATOM 0 HA3 GLY A 60 -5.787 -1.702 -13.266 1.00 0.66 H new ATOM 914 N HIS A 61 -3.983 -3.600 -13.752 1.00 0.68 N ATOM 915 CA HIS A 61 -2.890 -4.576 -13.652 1.00 0.76 C ATOM 916 C HIS A 61 -1.548 -3.890 -13.363 1.00 0.92 C ATOM 917 O HIS A 61 -1.270 -2.797 -13.872 1.00 1.51 O ATOM 918 CB HIS A 61 -2.836 -5.452 -14.916 1.00 0.89 C ATOM 919 CG HIS A 61 -2.727 -4.724 -16.239 1.00 1.08 C ATOM 920 ND1 HIS A 61 -2.271 -3.441 -16.453 1.00 2.52 N ATOM 921 CD2 HIS A 61 -3.083 -5.225 -17.462 1.00 1.60 C ATOM 922 CE1 HIS A 61 -2.376 -3.166 -17.762 1.00 2.30 C ATOM 923 NE2 HIS A 61 -2.841 -4.236 -18.426 1.00 1.60 N ATOM 0 H HIS A 61 -3.700 -2.743 -14.228 1.00 0.68 H new ATOM 0 HA HIS A 61 -3.090 -5.232 -12.804 1.00 0.76 H new ATOM 0 HB2 HIS A 61 -1.985 -6.127 -14.827 1.00 0.89 H new ATOM 0 HB3 HIS A 61 -3.733 -6.071 -14.940 1.00 0.89 H new ATOM 0 HD1 HIS A 61 -1.914 -2.808 -15.737 1.00 2.52 H new ATOM 0 HD2 HIS A 61 -3.481 -6.211 -17.652 1.00 1.60 H new ATOM 0 HE1 HIS A 61 -2.123 -2.220 -18.216 1.00 2.30 H new ATOM 931 N SER A 62 -0.750 -4.447 -12.449 1.00 0.73 N ATOM 932 CA SER A 62 0.596 -3.951 -12.134 1.00 0.79 C ATOM 933 C SER A 62 1.577 -5.041 -11.708 1.00 0.67 C ATOM 934 O SER A 62 1.188 -6.065 -11.152 1.00 0.80 O ATOM 935 CB SER A 62 0.519 -2.882 -11.047 1.00 1.02 C ATOM 936 OG SER A 62 -0.007 -1.704 -11.623 1.00 1.65 O ATOM 0 H SER A 62 -1.021 -5.263 -11.900 1.00 0.73 H new ATOM 0 HA SER A 62 0.984 -3.531 -13.062 1.00 0.79 H new ATOM 0 HB2 SER A 62 -0.114 -3.219 -10.226 1.00 1.02 H new ATOM 0 HB3 SER A 62 1.508 -2.692 -10.630 1.00 1.02 H new ATOM 0 HG SER A 62 -0.394 -1.913 -12.499 1.00 1.65 H new ATOM 942 N MET A 63 2.871 -4.763 -11.874 1.00 0.58 N ATOM 943 CA MET A 63 3.954 -5.548 -11.290 1.00 0.63 C ATOM 944 C MET A 63 4.521 -4.752 -10.109 1.00 0.62 C ATOM 945 O MET A 63 4.711 -3.535 -10.211 1.00 0.69 O ATOM 946 CB MET A 63 4.989 -5.922 -12.358 1.00 0.73 C ATOM 947 CG MET A 63 6.088 -6.817 -11.776 1.00 0.86 C ATOM 948 SD MET A 63 6.933 -7.852 -13.000 1.00 0.99 S ATOM 949 CE MET A 63 5.703 -9.180 -13.155 1.00 0.94 C ATOM 0 H MET A 63 3.199 -3.972 -12.428 1.00 0.58 H new ATOM 0 HA MET A 63 3.598 -6.504 -10.907 1.00 0.63 H new ATOM 0 HB2 MET A 63 4.495 -6.437 -13.182 1.00 0.73 H new ATOM 0 HB3 MET A 63 5.434 -5.016 -12.770 1.00 0.73 H new ATOM 0 HG2 MET A 63 6.826 -6.189 -11.277 1.00 0.86 H new ATOM 0 HG3 MET A 63 5.650 -7.461 -11.013 1.00 0.86 H new ATOM 0 HE1 MET A 63 6.054 -9.919 -13.875 1.00 0.94 H new ATOM 0 HE2 MET A 63 5.559 -9.657 -12.186 1.00 0.94 H new ATOM 0 HE3 MET A 63 4.757 -8.761 -13.497 1.00 0.94 H new ATOM 959 N VAL A 64 4.723 -5.436 -8.983 1.00 0.66 N ATOM 960 CA VAL A 64 5.007 -4.836 -7.676 1.00 0.63 C ATOM 961 C VAL A 64 6.275 -5.402 -7.036 1.00 0.71 C ATOM 962 O VAL A 64 6.512 -6.609 -7.064 1.00 0.82 O ATOM 963 CB VAL A 64 3.782 -4.989 -6.746 1.00 0.63 C ATOM 964 CG1 VAL A 64 3.989 -4.338 -5.372 1.00 0.64 C ATOM 965 CG2 VAL A 64 2.535 -4.350 -7.381 1.00 0.56 C ATOM 0 H VAL A 64 4.693 -6.455 -8.953 1.00 0.66 H new ATOM 0 HA VAL A 64 5.197 -3.774 -7.832 1.00 0.63 H new ATOM 0 HB VAL A 64 3.648 -6.062 -6.610 1.00 0.63 H new ATOM 0 HG11 VAL A 64 3.095 -4.479 -4.764 1.00 0.64 H new ATOM 0 HG12 VAL A 64 4.842 -4.800 -4.875 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.177 -3.272 -5.499 1.00 0.64 H new ATOM 0 HG21 VAL A 64 1.684 -4.469 -6.710 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.717 -3.289 -7.552 1.00 0.56 H new ATOM 0 HG23 VAL A 64 2.319 -4.839 -8.331 1.00 0.56 H new ATOM 975 N ASP A 65 7.072 -4.527 -6.423 1.00 0.69 N ATOM 976 CA ASP A 65 8.262 -4.863 -5.636 1.00 0.76 C ATOM 977 C ASP A 65 7.887 -5.001 -4.146 1.00 0.67 C ATOM 978 O ASP A 65 7.674 -3.997 -3.455 1.00 0.69 O ATOM 979 CB ASP A 65 9.311 -3.763 -5.886 1.00 0.88 C ATOM 980 CG ASP A 65 10.690 -4.096 -5.317 1.00 0.99 C ATOM 981 OD1 ASP A 65 11.397 -4.940 -5.913 1.00 1.60 O ATOM 982 OD2 ASP A 65 11.110 -3.503 -4.294 1.00 2.25 O ATOM 0 H ASP A 65 6.900 -3.522 -6.462 1.00 0.69 H new ATOM 0 HA ASP A 65 8.682 -5.823 -5.936 1.00 0.76 H new ATOM 0 HB2 ASP A 65 9.400 -3.594 -6.959 1.00 0.88 H new ATOM 0 HB3 ASP A 65 8.960 -2.830 -5.445 1.00 0.88 H new ATOM 987 N GLU A 66 7.778 -6.237 -3.647 1.00 0.65 N ATOM 988 CA GLU A 66 7.427 -6.581 -2.254 1.00 0.64 C ATOM 989 C GLU A 66 8.400 -7.561 -1.554 1.00 0.58 C ATOM 990 O GLU A 66 8.183 -7.895 -0.391 1.00 0.61 O ATOM 991 CB GLU A 66 5.955 -7.035 -2.142 1.00 0.91 C ATOM 992 CG GLU A 66 5.576 -8.274 -2.966 1.00 0.93 C ATOM 993 CD GLU A 66 4.246 -8.887 -2.488 1.00 0.88 C ATOM 994 OE1 GLU A 66 3.158 -8.306 -2.729 1.00 1.48 O ATOM 995 OE2 GLU A 66 4.265 -9.963 -1.846 1.00 1.82 O ATOM 0 H GLU A 66 7.938 -7.064 -4.223 1.00 0.65 H new ATOM 0 HA GLU A 66 7.543 -5.653 -1.694 1.00 0.64 H new ATOM 0 HB2 GLU A 66 5.735 -7.237 -1.094 1.00 0.91 H new ATOM 0 HB3 GLU A 66 5.315 -6.208 -2.448 1.00 0.91 H new ATOM 0 HG2 GLU A 66 5.494 -8.001 -4.018 1.00 0.93 H new ATOM 0 HG3 GLU A 66 6.369 -9.018 -2.890 1.00 0.93 H new ATOM 1002 N SER A 67 9.497 -7.967 -2.207 1.00 0.87 N ATOM 1003 CA SER A 67 10.555 -8.857 -1.674 1.00 1.09 C ATOM 1004 C SER A 67 11.072 -8.500 -0.270 1.00 0.99 C ATOM 1005 O SER A 67 11.462 -9.392 0.484 1.00 1.13 O ATOM 1006 CB SER A 67 11.765 -8.896 -2.623 1.00 1.48 C ATOM 1007 OG SER A 67 12.296 -7.597 -2.836 1.00 1.63 O ATOM 0 H SER A 67 9.686 -7.674 -3.166 1.00 0.87 H new ATOM 0 HA SER A 67 10.064 -9.827 -1.597 1.00 1.09 H new ATOM 0 HB2 SER A 67 12.537 -9.543 -2.205 1.00 1.48 H new ATOM 0 HB3 SER A 67 11.467 -9.330 -3.577 1.00 1.48 H new ATOM 0 HG SER A 67 13.065 -7.653 -3.441 1.00 1.63 H new ATOM 1013 N LEU A 68 11.050 -7.220 0.116 1.00 1.00 N ATOM 1014 CA LEU A 68 11.412 -6.747 1.457 1.00 1.03 C ATOM 1015 C LEU A 68 10.285 -6.989 2.482 1.00 0.96 C ATOM 1016 O LEU A 68 10.562 -7.373 3.621 1.00 1.03 O ATOM 1017 CB LEU A 68 11.813 -5.260 1.307 1.00 1.25 C ATOM 1018 CG LEU A 68 12.365 -4.487 2.525 1.00 1.31 C ATOM 1019 CD1 LEU A 68 11.287 -4.047 3.518 1.00 1.44 C ATOM 1020 CD2 LEU A 68 13.458 -5.248 3.273 1.00 1.07 C ATOM 0 H LEU A 68 10.773 -6.465 -0.511 1.00 1.00 H new ATOM 0 HA LEU A 68 12.252 -7.311 1.862 1.00 1.03 H new ATOM 0 HB2 LEU A 68 12.564 -5.204 0.519 1.00 1.25 H new ATOM 0 HB3 LEU A 68 10.935 -4.721 0.950 1.00 1.25 H new ATOM 0 HG LEU A 68 12.801 -3.591 2.084 1.00 1.31 H new ATOM 0 HD11 LEU A 68 11.752 -3.511 4.345 1.00 1.44 H new ATOM 0 HD12 LEU A 68 10.575 -3.392 3.016 1.00 1.44 H new ATOM 0 HD13 LEU A 68 10.766 -4.924 3.901 1.00 1.44 H new ATOM 0 HD21 LEU A 68 13.804 -4.652 4.117 1.00 1.07 H new ATOM 0 HD22 LEU A 68 13.058 -6.195 3.637 1.00 1.07 H new ATOM 0 HD23 LEU A 68 14.293 -5.441 2.599 1.00 1.07 H new ATOM 1032 N ILE A 69 9.025 -6.814 2.069 1.00 0.90 N ATOM 1033 CA ILE A 69 7.808 -6.868 2.897 1.00 0.92 C ATOM 1034 C ILE A 69 7.449 -8.316 3.263 1.00 0.89 C ATOM 1035 O ILE A 69 7.423 -8.681 4.440 1.00 1.02 O ATOM 1036 CB ILE A 69 6.602 -6.213 2.169 1.00 0.97 C ATOM 1037 CG1 ILE A 69 6.876 -4.836 1.521 1.00 1.15 C ATOM 1038 CG2 ILE A 69 5.400 -6.155 3.134 1.00 1.05 C ATOM 1039 CD1 ILE A 69 6.866 -3.643 2.473 1.00 1.23 C ATOM 0 H ILE A 69 8.811 -6.619 1.091 1.00 0.90 H new ATOM 0 HA ILE A 69 8.020 -6.310 3.809 1.00 0.92 H new ATOM 0 HB ILE A 69 6.382 -6.854 1.315 1.00 0.97 H new ATOM 0 HG12 ILE A 69 7.846 -4.874 1.026 1.00 1.15 H new ATOM 0 HG13 ILE A 69 6.129 -4.665 0.746 1.00 1.15 H new ATOM 0 HG21 ILE A 69 4.550 -5.696 2.629 1.00 1.05 H new ATOM 0 HG22 ILE A 69 5.135 -7.165 3.446 1.00 1.05 H new ATOM 0 HG23 ILE A 69 5.665 -5.563 4.010 1.00 1.05 H new ATOM 0 HD11 ILE A 69 7.069 -2.730 1.914 1.00 1.23 H new ATOM 0 HD12 ILE A 69 5.889 -3.567 2.950 1.00 1.23 H new ATOM 0 HD13 ILE A 69 7.633 -3.780 3.235 1.00 1.23 H new ATOM 1051 N THR A 70 7.164 -9.139 2.250 1.00 0.85 N ATOM 1052 CA THR A 70 6.709 -10.536 2.377 1.00 0.96 C ATOM 1053 C THR A 70 7.872 -11.530 2.435 1.00 1.11 C ATOM 1054 O THR A 70 7.687 -12.678 2.844 1.00 1.37 O ATOM 1055 CB THR A 70 5.734 -10.881 1.236 1.00 0.90 C ATOM 1056 OG1 THR A 70 6.213 -10.360 0.015 1.00 1.04 O ATOM 1057 CG2 THR A 70 4.366 -10.248 1.485 1.00 1.11 C ATOM 0 H THR A 70 7.246 -8.843 1.277 1.00 0.85 H new ATOM 0 HA THR A 70 6.185 -10.625 3.328 1.00 0.96 H new ATOM 0 HB THR A 70 5.651 -11.967 1.194 1.00 0.90 H new ATOM 0 HG1 THR A 70 5.467 -10.258 -0.612 1.00 1.04 H new ATOM 0 HG21 THR A 70 3.692 -10.504 0.667 1.00 1.11 H new ATOM 0 HG22 THR A 70 3.957 -10.623 2.423 1.00 1.11 H new ATOM 0 HG23 THR A 70 4.471 -9.165 1.542 1.00 1.11 H new ATOM 1065 N GLY A 71 9.085 -11.075 2.108 1.00 1.09 N ATOM 1066 CA GLY A 71 10.318 -11.863 2.173 1.00 1.29 C ATOM 1067 C GLY A 71 10.583 -12.720 0.929 1.00 1.40 C ATOM 1068 O GLY A 71 11.374 -13.661 0.991 1.00 1.75 O ATOM 0 H GLY A 71 9.240 -10.121 1.782 1.00 1.09 H new ATOM 0 HA2 GLY A 71 11.160 -11.187 2.321 1.00 1.29 H new ATOM 0 HA3 GLY A 71 10.274 -12.514 3.046 1.00 1.29 H new ATOM 1072 N GLU A 72 9.935 -12.378 -0.185 1.00 1.19 N ATOM 1073 CA GLU A 72 10.117 -13.008 -1.504 1.00 1.23 C ATOM 1074 C GLU A 72 11.449 -12.563 -2.163 1.00 1.41 C ATOM 1075 O GLU A 72 12.308 -11.978 -1.498 1.00 2.72 O ATOM 1076 CB GLU A 72 8.871 -12.746 -2.375 1.00 1.21 C ATOM 1077 CG GLU A 72 7.534 -13.164 -1.725 1.00 1.20 C ATOM 1078 CD GLU A 72 7.468 -14.638 -1.298 1.00 1.80 C ATOM 1079 OE1 GLU A 72 7.982 -15.522 -2.025 1.00 2.11 O ATOM 1080 OE2 GLU A 72 6.903 -14.955 -0.226 1.00 2.93 O ATOM 0 H GLU A 72 9.243 -11.629 -0.200 1.00 1.19 H new ATOM 0 HA GLU A 72 10.206 -14.088 -1.389 1.00 1.23 H new ATOM 0 HB2 GLU A 72 8.827 -11.683 -2.614 1.00 1.21 H new ATOM 0 HB3 GLU A 72 8.984 -13.280 -3.318 1.00 1.21 H new ATOM 0 HG2 GLU A 72 7.358 -12.537 -0.851 1.00 1.20 H new ATOM 0 HG3 GLU A 72 6.725 -12.966 -2.428 1.00 1.20 H new ATOM 1087 N ALA A 73 11.661 -12.837 -3.456 1.00 1.41 N ATOM 1088 CA ALA A 73 12.957 -12.613 -4.126 1.00 1.63 C ATOM 1089 C ALA A 73 12.860 -12.137 -5.596 1.00 1.17 C ATOM 1090 O ALA A 73 13.847 -12.173 -6.342 1.00 1.49 O ATOM 1091 CB ALA A 73 13.791 -13.892 -3.979 1.00 2.29 C ATOM 0 H ALA A 73 10.943 -13.220 -4.071 1.00 1.41 H new ATOM 0 HA ALA A 73 13.448 -11.775 -3.632 1.00 1.63 H new ATOM 0 HB1 ALA A 73 14.756 -13.755 -4.466 1.00 2.29 H new ATOM 0 HB2 ALA A 73 13.945 -14.106 -2.921 1.00 2.29 H new ATOM 0 HB3 ALA A 73 13.265 -14.725 -4.445 1.00 2.29 H new ATOM 1097 N MET A 74 11.672 -11.714 -6.035 1.00 0.83 N ATOM 1098 CA MET A 74 11.360 -11.322 -7.412 1.00 0.87 C ATOM 1099 C MET A 74 10.122 -10.407 -7.460 1.00 0.91 C ATOM 1100 O MET A 74 9.274 -10.511 -6.568 1.00 1.00 O ATOM 1101 CB MET A 74 11.138 -12.575 -8.283 1.00 1.06 C ATOM 1102 CG MET A 74 9.884 -13.409 -7.965 1.00 1.72 C ATOM 1103 SD MET A 74 9.865 -14.286 -6.370 1.00 3.41 S ATOM 1104 CE MET A 74 11.107 -15.570 -6.696 1.00 3.80 C ATOM 0 H MET A 74 10.867 -11.632 -5.414 1.00 0.83 H new ATOM 0 HA MET A 74 12.207 -10.762 -7.808 1.00 0.87 H new ATOM 0 HB2 MET A 74 11.087 -12.263 -9.326 1.00 1.06 H new ATOM 0 HB3 MET A 74 12.012 -13.219 -8.186 1.00 1.06 H new ATOM 0 HG2 MET A 74 9.018 -12.748 -7.999 1.00 1.72 H new ATOM 0 HG3 MET A 74 9.755 -14.145 -8.759 1.00 1.72 H new ATOM 0 HE1 MET A 74 11.130 -16.273 -5.864 1.00 3.80 H new ATOM 0 HE2 MET A 74 10.850 -16.101 -7.613 1.00 3.80 H new ATOM 0 HE3 MET A 74 12.088 -15.108 -6.808 1.00 3.80 H new ATOM 1114 N PRO A 75 9.973 -9.543 -8.481 1.00 1.00 N ATOM 1115 CA PRO A 75 8.757 -8.758 -8.706 1.00 1.04 C ATOM 1116 C PRO A 75 7.504 -9.630 -8.898 1.00 0.95 C ATOM 1117 O PRO A 75 7.563 -10.673 -9.562 1.00 0.99 O ATOM 1118 CB PRO A 75 9.044 -7.900 -9.941 1.00 1.20 C ATOM 1119 CG PRO A 75 10.565 -7.761 -9.935 1.00 1.72 C ATOM 1120 CD PRO A 75 11.027 -9.107 -9.386 1.00 1.26 C ATOM 0 HA PRO A 75 8.529 -8.149 -7.832 1.00 1.04 H new ATOM 0 HB2 PRO A 75 8.689 -8.379 -10.853 1.00 1.20 H new ATOM 0 HB3 PRO A 75 8.552 -6.929 -9.878 1.00 1.20 H new ATOM 0 HG2 PRO A 75 10.958 -7.576 -10.935 1.00 1.72 H new ATOM 0 HG3 PRO A 75 10.893 -6.934 -9.306 1.00 1.72 H new ATOM 0 HD2 PRO A 75 11.177 -9.828 -10.190 1.00 1.26 H new ATOM 0 HD3 PRO A 75 11.978 -9.011 -8.863 1.00 1.26 H new ATOM 1128 N VAL A 76 6.374 -9.181 -8.340 1.00 0.91 N ATOM 1129 CA VAL A 76 5.104 -9.920 -8.195 1.00 0.91 C ATOM 1130 C VAL A 76 3.984 -9.295 -9.036 1.00 0.81 C ATOM 1131 O VAL A 76 3.811 -8.080 -9.026 1.00 0.81 O ATOM 1132 CB VAL A 76 4.698 -9.949 -6.702 1.00 1.02 C ATOM 1133 CG1 VAL A 76 3.323 -10.584 -6.462 1.00 1.09 C ATOM 1134 CG2 VAL A 76 5.719 -10.732 -5.865 1.00 0.99 C ATOM 0 H VAL A 76 6.313 -8.239 -7.954 1.00 0.91 H new ATOM 0 HA VAL A 76 5.255 -10.936 -8.559 1.00 0.91 H new ATOM 0 HB VAL A 76 4.662 -8.903 -6.398 1.00 1.02 H new ATOM 0 HG11 VAL A 76 3.098 -10.573 -5.395 1.00 1.09 H new ATOM 0 HG12 VAL A 76 2.562 -10.018 -6.999 1.00 1.09 H new ATOM 0 HG13 VAL A 76 3.330 -11.613 -6.821 1.00 1.09 H new ATOM 0 HG21 VAL A 76 5.407 -10.735 -4.821 1.00 0.99 H new ATOM 0 HG22 VAL A 76 5.778 -11.758 -6.229 1.00 0.99 H new ATOM 0 HG23 VAL A 76 6.698 -10.260 -5.950 1.00 0.99 H new ATOM 1144 N ALA A 77 3.174 -10.104 -9.724 1.00 0.78 N ATOM 1145 CA ALA A 77 2.037 -9.637 -10.522 1.00 0.73 C ATOM 1146 C ALA A 77 0.746 -9.486 -9.690 1.00 0.77 C ATOM 1147 O ALA A 77 0.367 -10.389 -8.930 1.00 0.86 O ATOM 1148 CB ALA A 77 1.849 -10.587 -11.710 1.00 0.80 C ATOM 0 H ALA A 77 3.291 -11.117 -9.743 1.00 0.78 H new ATOM 0 HA ALA A 77 2.256 -8.635 -10.890 1.00 0.73 H new ATOM 0 HB1 ALA A 77 1.006 -10.252 -12.314 1.00 0.80 H new ATOM 0 HB2 ALA A 77 2.753 -10.591 -12.319 1.00 0.80 H new ATOM 0 HB3 ALA A 77 1.655 -11.595 -11.343 1.00 0.80 H new ATOM 1154 N LYS A 78 0.058 -8.350 -9.868 1.00 0.78 N ATOM 1155 CA LYS A 78 -1.216 -7.971 -9.228 1.00 0.86 C ATOM 1156 C LYS A 78 -2.221 -7.518 -10.293 1.00 0.94 C ATOM 1157 O LYS A 78 -1.865 -6.821 -11.241 1.00 1.17 O ATOM 1158 CB LYS A 78 -1.001 -6.838 -8.209 1.00 1.01 C ATOM 1159 CG LYS A 78 0.088 -7.076 -7.153 1.00 1.03 C ATOM 1160 CD LYS A 78 -0.228 -8.145 -6.096 1.00 0.99 C ATOM 1161 CE LYS A 78 0.914 -8.153 -5.070 1.00 1.01 C ATOM 1162 NZ LYS A 78 0.662 -9.049 -3.918 1.00 1.06 N ATOM 0 H LYS A 78 0.394 -7.624 -10.501 1.00 0.78 H new ATOM 0 HA LYS A 78 -1.607 -8.843 -8.703 1.00 0.86 H new ATOM 0 HB2 LYS A 78 -0.756 -5.927 -8.755 1.00 1.01 H new ATOM 0 HB3 LYS A 78 -1.944 -6.656 -7.694 1.00 1.01 H new ATOM 0 HG2 LYS A 78 1.008 -7.359 -7.665 1.00 1.03 H new ATOM 0 HG3 LYS A 78 0.284 -6.133 -6.642 1.00 1.03 H new ATOM 0 HD2 LYS A 78 -1.178 -7.928 -5.607 1.00 0.99 H new ATOM 0 HD3 LYS A 78 -0.327 -9.125 -6.563 1.00 0.99 H new ATOM 0 HE2 LYS A 78 1.835 -8.460 -5.565 1.00 1.01 H new ATOM 0 HE3 LYS A 78 1.071 -7.138 -4.704 1.00 1.01 H new ATOM 0 HZ1 LYS A 78 1.437 -8.957 -3.231 1.00 1.06 H new ATOM 0 HZ2 LYS A 78 -0.236 -8.786 -3.464 1.00 1.06 H new ATOM 0 HZ3 LYS A 78 0.607 -10.033 -4.249 1.00 1.06 H new ATOM 1176 N LYS A 79 -3.486 -7.894 -10.121 1.00 0.85 N ATOM 1177 CA LYS A 79 -4.576 -7.772 -11.112 1.00 0.88 C ATOM 1178 C LYS A 79 -5.932 -7.555 -10.395 1.00 0.77 C ATOM 1179 O LYS A 79 -5.916 -7.460 -9.163 1.00 0.70 O ATOM 1180 CB LYS A 79 -4.472 -9.024 -12.007 1.00 1.12 C ATOM 1181 CG LYS A 79 -4.940 -10.311 -11.303 1.00 1.88 C ATOM 1182 CD LYS A 79 -4.677 -11.570 -12.135 1.00 2.15 C ATOM 1183 CE LYS A 79 -3.182 -11.761 -12.413 1.00 3.39 C ATOM 1184 NZ LYS A 79 -2.882 -13.123 -12.911 1.00 3.96 N ATOM 0 H LYS A 79 -3.804 -8.314 -9.247 1.00 0.85 H new ATOM 0 HA LYS A 79 -4.494 -6.896 -11.755 1.00 0.88 H new ATOM 0 HB2 LYS A 79 -5.069 -8.871 -12.906 1.00 1.12 H new ATOM 0 HB3 LYS A 79 -3.438 -9.148 -12.329 1.00 1.12 H new ATOM 0 HG2 LYS A 79 -4.430 -10.401 -10.344 1.00 1.88 H new ATOM 0 HG3 LYS A 79 -6.007 -10.237 -11.091 1.00 1.88 H new ATOM 0 HD2 LYS A 79 -5.064 -12.442 -11.608 1.00 2.15 H new ATOM 0 HD3 LYS A 79 -5.217 -11.502 -13.079 1.00 2.15 H new ATOM 0 HE2 LYS A 79 -2.852 -11.025 -13.147 1.00 3.39 H new ATOM 0 HE3 LYS A 79 -2.616 -11.576 -11.500 1.00 3.39 H new ATOM 0 HZ1 LYS A 79 -1.861 -13.211 -13.087 1.00 3.96 H new ATOM 0 HZ2 LYS A 79 -3.173 -13.824 -12.200 1.00 3.96 H new ATOM 0 HZ3 LYS A 79 -3.401 -13.291 -13.796 1.00 3.96 H new ATOM 1198 N PRO A 80 -7.102 -7.467 -11.060 1.00 0.83 N ATOM 1199 CA PRO A 80 -8.357 -7.248 -10.344 1.00 0.79 C ATOM 1200 C PRO A 80 -8.737 -8.492 -9.520 1.00 0.77 C ATOM 1201 O PRO A 80 -8.684 -9.619 -10.012 1.00 0.90 O ATOM 1202 CB PRO A 80 -9.386 -6.864 -11.410 1.00 0.86 C ATOM 1203 CG PRO A 80 -8.867 -7.529 -12.682 1.00 0.95 C ATOM 1204 CD PRO A 80 -7.352 -7.627 -12.486 1.00 1.04 C ATOM 0 HA PRO A 80 -8.289 -6.448 -9.607 1.00 0.79 H new ATOM 0 HB2 PRO A 80 -10.382 -7.222 -11.150 1.00 0.86 H new ATOM 0 HB3 PRO A 80 -9.456 -5.782 -11.525 1.00 0.86 H new ATOM 0 HG2 PRO A 80 -9.312 -8.514 -12.822 1.00 0.95 H new ATOM 0 HG3 PRO A 80 -9.114 -6.939 -13.565 1.00 0.95 H new ATOM 0 HD2 PRO A 80 -6.978 -8.588 -12.839 1.00 1.04 H new ATOM 0 HD3 PRO A 80 -6.837 -6.855 -13.058 1.00 1.04 H new ATOM 1212 N GLY A 81 -9.110 -8.273 -8.257 1.00 0.70 N ATOM 1213 CA GLY A 81 -9.305 -9.292 -7.223 1.00 0.71 C ATOM 1214 C GLY A 81 -8.050 -9.616 -6.391 1.00 0.73 C ATOM 1215 O GLY A 81 -8.096 -10.551 -5.592 1.00 1.18 O ATOM 0 H GLY A 81 -9.294 -7.332 -7.910 1.00 0.70 H new ATOM 0 HA2 GLY A 81 -10.095 -8.959 -6.549 1.00 0.71 H new ATOM 0 HA3 GLY A 81 -9.656 -10.208 -7.697 1.00 0.71 H new ATOM 1219 N SER A 82 -6.936 -8.883 -6.540 1.00 0.60 N ATOM 1220 CA SER A 82 -5.622 -9.222 -5.940 1.00 0.56 C ATOM 1221 C SER A 82 -5.333 -8.385 -4.688 1.00 0.55 C ATOM 1222 O SER A 82 -5.815 -7.261 -4.588 1.00 0.66 O ATOM 1223 CB SER A 82 -4.508 -9.002 -6.972 1.00 0.57 C ATOM 1224 OG SER A 82 -3.265 -9.510 -6.539 1.00 1.66 O ATOM 0 H SER A 82 -6.915 -8.023 -7.088 1.00 0.60 H new ATOM 0 HA SER A 82 -5.655 -10.270 -5.642 1.00 0.56 H new ATOM 0 HB2 SER A 82 -4.786 -9.481 -7.911 1.00 0.57 H new ATOM 0 HB3 SER A 82 -4.411 -7.936 -7.175 1.00 0.57 H new ATOM 0 HG SER A 82 -2.879 -10.073 -7.242 1.00 1.66 H new ATOM 1230 N THR A 83 -4.541 -8.879 -3.732 1.00 0.58 N ATOM 1231 CA THR A 83 -4.229 -8.158 -2.478 1.00 0.58 C ATOM 1232 C THR A 83 -2.814 -7.573 -2.450 1.00 0.56 C ATOM 1233 O THR A 83 -1.873 -8.132 -3.020 1.00 0.64 O ATOM 1234 CB THR A 83 -4.516 -9.005 -1.229 1.00 0.65 C ATOM 1235 OG1 THR A 83 -3.881 -10.263 -1.291 1.00 0.74 O ATOM 1236 CG2 THR A 83 -6.016 -9.252 -1.073 1.00 0.73 C ATOM 0 H THR A 83 -4.093 -9.793 -3.799 1.00 0.58 H new ATOM 0 HA THR A 83 -4.911 -7.308 -2.457 1.00 0.58 H new ATOM 0 HB THR A 83 -4.129 -8.441 -0.381 1.00 0.65 H new ATOM 0 HG1 THR A 83 -4.085 -10.773 -0.479 1.00 0.74 H new ATOM 0 HG21 THR A 83 -6.195 -9.854 -0.182 1.00 0.73 H new ATOM 0 HG22 THR A 83 -6.534 -8.298 -0.976 1.00 0.73 H new ATOM 0 HG23 THR A 83 -6.391 -9.781 -1.949 1.00 0.73 H new ATOM 1244 N VAL A 84 -2.672 -6.414 -1.800 1.00 0.51 N ATOM 1245 CA VAL A 84 -1.450 -5.587 -1.762 1.00 0.47 C ATOM 1246 C VAL A 84 -1.165 -5.039 -0.358 1.00 0.49 C ATOM 1247 O VAL A 84 -2.054 -4.982 0.499 1.00 0.53 O ATOM 1248 CB VAL A 84 -1.510 -4.425 -2.782 1.00 0.48 C ATOM 1249 CG1 VAL A 84 -1.478 -4.941 -4.225 1.00 0.52 C ATOM 1250 CG2 VAL A 84 -2.738 -3.519 -2.604 1.00 0.51 C ATOM 0 H VAL A 84 -3.435 -6.004 -1.261 1.00 0.51 H new ATOM 0 HA VAL A 84 -0.629 -6.248 -2.040 1.00 0.47 H new ATOM 0 HB VAL A 84 -0.621 -3.827 -2.582 1.00 0.48 H new ATOM 0 HG11 VAL A 84 -1.522 -4.098 -4.914 1.00 0.52 H new ATOM 0 HG12 VAL A 84 -0.556 -5.498 -4.392 1.00 0.52 H new ATOM 0 HG13 VAL A 84 -2.333 -5.595 -4.397 1.00 0.52 H new ATOM 0 HG21 VAL A 84 -2.716 -2.726 -3.352 1.00 0.51 H new ATOM 0 HG22 VAL A 84 -3.646 -4.109 -2.727 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -2.724 -3.078 -1.607 1.00 0.51 H new ATOM 1260 N ILE A 85 0.083 -4.618 -0.135 1.00 0.54 N ATOM 1261 CA ILE A 85 0.603 -4.071 1.132 1.00 0.59 C ATOM 1262 C ILE A 85 1.310 -2.718 0.968 1.00 0.63 C ATOM 1263 O ILE A 85 1.958 -2.437 -0.043 1.00 0.93 O ATOM 1264 CB ILE A 85 1.491 -5.084 1.908 1.00 0.62 C ATOM 1265 CG1 ILE A 85 2.250 -6.115 1.045 1.00 0.83 C ATOM 1266 CG2 ILE A 85 0.651 -5.859 2.929 1.00 0.84 C ATOM 1267 CD1 ILE A 85 3.213 -5.445 0.072 1.00 0.71 C ATOM 0 H ILE A 85 0.796 -4.649 -0.864 1.00 0.54 H new ATOM 0 HA ILE A 85 -0.282 -3.887 1.741 1.00 0.59 H new ATOM 0 HB ILE A 85 2.247 -4.456 2.380 1.00 0.62 H new ATOM 0 HG12 ILE A 85 2.804 -6.794 1.694 1.00 0.83 H new ATOM 0 HG13 ILE A 85 1.534 -6.719 0.488 1.00 0.83 H new ATOM 0 HG21 ILE A 85 1.288 -6.564 3.464 1.00 0.84 H new ATOM 0 HG22 ILE A 85 0.206 -5.161 3.639 1.00 0.84 H new ATOM 0 HG23 ILE A 85 -0.139 -6.404 2.412 1.00 0.84 H new ATOM 0 HD11 ILE A 85 3.726 -6.207 -0.515 1.00 0.71 H new ATOM 0 HD12 ILE A 85 2.657 -4.786 -0.595 1.00 0.71 H new ATOM 0 HD13 ILE A 85 3.946 -4.862 0.629 1.00 0.71 H new ATOM 1279 N ALA A 86 1.191 -1.886 2.006 1.00 0.53 N ATOM 1280 CA ALA A 86 1.795 -0.559 2.081 1.00 0.55 C ATOM 1281 C ALA A 86 3.333 -0.601 1.976 1.00 0.55 C ATOM 1282 O ALA A 86 3.970 -1.571 2.382 1.00 0.56 O ATOM 1283 CB ALA A 86 1.349 0.097 3.393 1.00 0.59 C ATOM 0 H ALA A 86 0.656 -2.127 2.840 1.00 0.53 H new ATOM 0 HA ALA A 86 1.456 0.030 1.228 1.00 0.55 H new ATOM 0 HB1 ALA A 86 1.789 1.091 3.471 1.00 0.59 H new ATOM 0 HB2 ALA A 86 0.262 0.179 3.408 1.00 0.59 H new ATOM 0 HB3 ALA A 86 1.678 -0.512 4.235 1.00 0.59 H new ATOM 1289 N GLY A 87 3.934 0.460 1.438 1.00 0.58 N ATOM 1290 CA GLY A 87 5.389 0.601 1.294 1.00 0.63 C ATOM 1291 C GLY A 87 6.017 -0.216 0.152 1.00 0.64 C ATOM 1292 O GLY A 87 7.215 -0.072 -0.106 1.00 0.77 O ATOM 0 H GLY A 87 3.416 1.263 1.082 1.00 0.58 H new ATOM 0 HA2 GLY A 87 5.622 1.654 1.136 1.00 0.63 H new ATOM 0 HA3 GLY A 87 5.861 0.307 2.232 1.00 0.63 H new ATOM 1296 N SER A 88 5.225 -1.030 -0.557 1.00 0.58 N ATOM 1297 CA SER A 88 5.637 -1.704 -1.796 1.00 0.58 C ATOM 1298 C SER A 88 5.541 -0.771 -3.014 1.00 0.51 C ATOM 1299 O SER A 88 4.810 0.230 -3.004 1.00 0.50 O ATOM 1300 CB SER A 88 4.856 -3.009 -2.003 1.00 0.61 C ATOM 1301 OG SER A 88 3.479 -2.792 -2.250 1.00 1.38 O ATOM 0 H SER A 88 4.266 -1.242 -0.283 1.00 0.58 H new ATOM 0 HA SER A 88 6.689 -1.970 -1.692 1.00 0.58 H new ATOM 0 HB2 SER A 88 5.289 -3.557 -2.840 1.00 0.61 H new ATOM 0 HB3 SER A 88 4.967 -3.637 -1.119 1.00 0.61 H new ATOM 0 HG SER A 88 3.028 -2.565 -1.410 1.00 1.38 H new ATOM 1307 N ILE A 89 6.306 -1.078 -4.068 1.00 0.50 N ATOM 1308 CA ILE A 89 6.475 -0.196 -5.233 1.00 0.47 C ATOM 1309 C ILE A 89 5.735 -0.756 -6.449 1.00 0.43 C ATOM 1310 O ILE A 89 6.016 -1.872 -6.867 1.00 0.56 O ATOM 1311 CB ILE A 89 7.967 0.032 -5.592 1.00 0.53 C ATOM 1312 CG1 ILE A 89 8.950 0.049 -4.398 1.00 0.68 C ATOM 1313 CG2 ILE A 89 8.082 1.322 -6.427 1.00 0.59 C ATOM 1314 CD1 ILE A 89 8.736 1.192 -3.405 1.00 0.81 C ATOM 0 H ILE A 89 6.829 -1.951 -4.139 1.00 0.50 H new ATOM 0 HA ILE A 89 6.048 0.768 -4.957 1.00 0.47 H new ATOM 0 HB ILE A 89 8.280 -0.840 -6.166 1.00 0.53 H new ATOM 0 HG12 ILE A 89 8.867 -0.897 -3.864 1.00 0.68 H new ATOM 0 HG13 ILE A 89 9.967 0.108 -4.784 1.00 0.68 H new ATOM 0 HG21 ILE A 89 9.126 1.495 -6.687 1.00 0.59 H new ATOM 0 HG22 ILE A 89 7.493 1.219 -7.339 1.00 0.59 H new ATOM 0 HG23 ILE A 89 7.708 2.165 -5.847 1.00 0.59 H new ATOM 0 HD11 ILE A 89 9.471 1.120 -2.604 1.00 0.81 H new ATOM 0 HD12 ILE A 89 8.851 2.147 -3.919 1.00 0.81 H new ATOM 0 HD13 ILE A 89 7.733 1.125 -2.984 1.00 0.81 H new ATOM 1326 N ASN A 90 4.826 0.018 -7.043 1.00 0.45 N ATOM 1327 CA ASN A 90 4.223 -0.288 -8.347 1.00 0.44 C ATOM 1328 C ASN A 90 5.168 0.195 -9.455 1.00 0.66 C ATOM 1329 O ASN A 90 5.541 1.370 -9.442 1.00 0.84 O ATOM 1330 CB ASN A 90 2.850 0.409 -8.421 1.00 0.48 C ATOM 1331 CG ASN A 90 2.166 0.363 -9.782 1.00 0.77 C ATOM 1332 OD1 ASN A 90 2.657 -0.145 -10.782 1.00 2.00 O ATOM 1333 ND2 ASN A 90 0.997 0.941 -9.850 1.00 0.63 N ATOM 0 H ASN A 90 4.482 0.885 -6.630 1.00 0.45 H new ATOM 0 HA ASN A 90 4.074 -1.360 -8.476 1.00 0.44 H new ATOM 0 HB2 ASN A 90 2.189 -0.049 -7.685 1.00 0.48 H new ATOM 0 HB3 ASN A 90 2.975 1.452 -8.131 1.00 0.48 H new ATOM 0 HD21 ASN A 90 0.493 0.969 -10.736 1.00 0.63 H new ATOM 0 HD22 ASN A 90 0.588 1.364 -9.017 1.00 0.63 H new ATOM 1340 N GLN A 91 5.510 -0.665 -10.419 1.00 0.93 N ATOM 1341 CA GLN A 91 6.386 -0.314 -11.538 1.00 1.22 C ATOM 1342 C GLN A 91 5.884 -0.802 -12.915 1.00 1.52 C ATOM 1343 O GLN A 91 6.635 -1.357 -13.721 1.00 2.96 O ATOM 1344 CB GLN A 91 7.816 -0.777 -11.229 1.00 1.98 C ATOM 1345 CG GLN A 91 8.788 0.068 -12.059 1.00 2.50 C ATOM 1346 CD GLN A 91 9.428 1.163 -11.214 1.00 3.02 C ATOM 1347 OE1 GLN A 91 10.499 0.987 -10.644 1.00 3.68 O ATOM 1348 NE2 GLN A 91 8.794 2.306 -11.089 1.00 3.35 N ATOM 0 H GLN A 91 5.184 -1.631 -10.444 1.00 0.93 H new ATOM 0 HA GLN A 91 6.375 0.772 -11.632 1.00 1.22 H new ATOM 0 HB2 GLN A 91 8.029 -0.666 -10.166 1.00 1.98 H new ATOM 0 HB3 GLN A 91 7.933 -1.834 -11.469 1.00 1.98 H new ATOM 0 HG2 GLN A 91 9.564 -0.572 -12.477 1.00 2.50 H new ATOM 0 HG3 GLN A 91 8.258 0.517 -12.899 1.00 2.50 H new ATOM 0 HE21 GLN A 91 7.903 2.450 -11.564 1.00 3.35 H new ATOM 0 HE22 GLN A 91 9.192 3.050 -10.517 1.00 3.35 H new ATOM 1357 N ASN A 92 4.589 -0.636 -13.186 1.00 1.14 N ATOM 1358 CA ASN A 92 3.996 -1.078 -14.461 1.00 1.46 C ATOM 1359 C ASN A 92 2.677 -0.408 -14.904 1.00 1.20 C ATOM 1360 O ASN A 92 2.496 -0.203 -16.106 1.00 2.03 O ATOM 1361 CB ASN A 92 3.781 -2.602 -14.380 1.00 2.49 C ATOM 1362 CG ASN A 92 3.661 -3.251 -15.746 1.00 3.17 C ATOM 1363 OD1 ASN A 92 4.416 -2.978 -16.666 1.00 3.55 O ATOM 1364 ND2 ASN A 92 2.752 -4.170 -15.937 1.00 3.69 N ATOM 0 H ASN A 92 3.927 -0.200 -12.545 1.00 1.14 H new ATOM 0 HA ASN A 92 4.711 -0.770 -15.224 1.00 1.46 H new ATOM 0 HB2 ASN A 92 4.613 -3.054 -13.840 1.00 2.49 H new ATOM 0 HB3 ASN A 92 2.878 -2.807 -13.805 1.00 2.49 H new ATOM 0 HD21 ASN A 92 2.685 -4.641 -16.839 1.00 3.69 H new ATOM 0 HD22 ASN A 92 2.109 -4.416 -15.184 1.00 3.69 H new ATOM 1371 N GLY A 93 1.731 -0.102 -14.005 1.00 1.23 N ATOM 1372 CA GLY A 93 0.380 0.309 -14.433 1.00 1.26 C ATOM 1373 C GLY A 93 -0.432 1.149 -13.441 1.00 1.26 C ATOM 1374 O GLY A 93 0.064 1.538 -12.387 1.00 2.25 O ATOM 0 H GLY A 93 1.868 -0.129 -12.995 1.00 1.23 H new ATOM 0 HA2 GLY A 93 0.474 0.875 -15.360 1.00 1.26 H new ATOM 0 HA3 GLY A 93 -0.191 -0.590 -14.665 1.00 1.26 H new ATOM 1378 N SER A 94 -1.686 1.449 -13.793 1.00 0.83 N ATOM 1379 CA SER A 94 -2.598 2.297 -13.003 1.00 0.76 C ATOM 1380 C SER A 94 -3.820 1.515 -12.504 1.00 0.74 C ATOM 1381 O SER A 94 -4.558 0.943 -13.312 1.00 0.92 O ATOM 1382 CB SER A 94 -3.061 3.511 -13.817 1.00 0.99 C ATOM 1383 OG SER A 94 -1.980 4.358 -14.160 1.00 1.69 O ATOM 0 H SER A 94 -2.109 1.103 -14.654 1.00 0.83 H new ATOM 0 HA SER A 94 -2.036 2.640 -12.135 1.00 0.76 H new ATOM 0 HB2 SER A 94 -3.559 3.171 -14.725 1.00 0.99 H new ATOM 0 HB3 SER A 94 -3.796 4.075 -13.243 1.00 0.99 H new ATOM 0 HG SER A 94 -2.313 5.119 -14.679 1.00 1.69 H new ATOM 1389 N LEU A 95 -4.037 1.487 -11.183 1.00 0.72 N ATOM 1390 CA LEU A 95 -5.038 0.641 -10.507 1.00 0.70 C ATOM 1391 C LEU A 95 -6.007 1.425 -9.605 1.00 0.73 C ATOM 1392 O LEU A 95 -5.717 2.546 -9.179 1.00 0.81 O ATOM 1393 CB LEU A 95 -4.360 -0.389 -9.580 1.00 0.72 C ATOM 1394 CG LEU A 95 -3.069 -1.089 -10.000 1.00 0.83 C ATOM 1395 CD1 LEU A 95 -2.509 -1.836 -8.787 1.00 0.97 C ATOM 1396 CD2 LEU A 95 -3.365 -2.077 -11.108 1.00 0.92 C ATOM 0 H LEU A 95 -3.507 2.068 -10.533 1.00 0.72 H new ATOM 0 HA LEU A 95 -5.586 0.174 -11.325 1.00 0.70 H new ATOM 0 HB2 LEU A 95 -4.158 0.115 -8.635 1.00 0.72 H new ATOM 0 HB3 LEU A 95 -5.095 -1.168 -9.375 1.00 0.72 H new ATOM 0 HG LEU A 95 -2.345 -0.357 -10.360 1.00 0.83 H new ATOM 0 HD11 LEU A 95 -1.586 -2.343 -9.067 1.00 0.97 H new ATOM 0 HD12 LEU A 95 -2.305 -1.126 -7.985 1.00 0.97 H new ATOM 0 HD13 LEU A 95 -3.237 -2.571 -8.444 1.00 0.97 H new ATOM 0 HD21 LEU A 95 -2.443 -2.576 -11.407 1.00 0.92 H new ATOM 0 HD22 LEU A 95 -4.080 -2.819 -10.753 1.00 0.92 H new ATOM 0 HD23 LEU A 95 -3.785 -1.549 -11.964 1.00 0.92 H new ATOM 1408 N LEU A 96 -7.101 0.759 -9.220 1.00 0.69 N ATOM 1409 CA LEU A 96 -8.037 1.189 -8.174 1.00 0.74 C ATOM 1410 C LEU A 96 -7.935 0.220 -6.980 1.00 0.57 C ATOM 1411 O LEU A 96 -8.145 -0.988 -7.144 1.00 0.55 O ATOM 1412 CB LEU A 96 -9.480 1.210 -8.718 1.00 1.02 C ATOM 1413 CG LEU A 96 -9.876 2.375 -9.647 1.00 1.33 C ATOM 1414 CD1 LEU A 96 -9.044 2.500 -10.927 1.00 1.89 C ATOM 1415 CD2 LEU A 96 -11.332 2.205 -10.067 1.00 2.34 C ATOM 0 H LEU A 96 -7.370 -0.129 -9.645 1.00 0.69 H new ATOM 0 HA LEU A 96 -7.779 2.198 -7.851 1.00 0.74 H new ATOM 0 HB2 LEU A 96 -9.649 0.278 -9.257 1.00 1.02 H new ATOM 0 HB3 LEU A 96 -10.160 1.214 -7.866 1.00 1.02 H new ATOM 0 HG LEU A 96 -9.698 3.278 -9.063 1.00 1.33 H new ATOM 0 HD11 LEU A 96 -9.401 3.348 -11.511 1.00 1.89 H new ATOM 0 HD12 LEU A 96 -7.997 2.653 -10.667 1.00 1.89 H new ATOM 0 HD13 LEU A 96 -9.142 1.588 -11.515 1.00 1.89 H new ATOM 0 HD21 LEU A 96 -11.619 3.026 -10.724 1.00 2.34 H new ATOM 0 HD22 LEU A 96 -11.450 1.259 -10.595 1.00 2.34 H new ATOM 0 HD23 LEU A 96 -11.969 2.209 -9.182 1.00 2.34 H new ATOM 1427 N ILE A 97 -7.628 0.741 -5.786 1.00 0.52 N ATOM 1428 CA ILE A 97 -7.486 -0.039 -4.542 1.00 0.47 C ATOM 1429 C ILE A 97 -8.548 0.371 -3.513 1.00 0.46 C ATOM 1430 O ILE A 97 -8.678 1.554 -3.195 1.00 0.49 O ATOM 1431 CB ILE A 97 -6.061 0.116 -3.950 1.00 0.49 C ATOM 1432 CG1 ILE A 97 -4.947 -0.165 -4.985 1.00 0.70 C ATOM 1433 CG2 ILE A 97 -5.850 -0.842 -2.762 1.00 0.52 C ATOM 1434 CD1 ILE A 97 -4.425 1.091 -5.689 1.00 1.28 C ATOM 0 H ILE A 97 -7.467 1.739 -5.651 1.00 0.52 H new ATOM 0 HA ILE A 97 -7.639 -1.090 -4.787 1.00 0.47 H new ATOM 0 HB ILE A 97 -5.990 1.155 -3.628 1.00 0.49 H new ATOM 0 HG12 ILE A 97 -4.116 -0.661 -4.484 1.00 0.70 H new ATOM 0 HG13 ILE A 97 -5.327 -0.859 -5.735 1.00 0.70 H new ATOM 0 HG21 ILE A 97 -4.843 -0.713 -2.365 1.00 0.52 H new ATOM 0 HG22 ILE A 97 -6.578 -0.620 -1.982 1.00 0.52 H new ATOM 0 HG23 ILE A 97 -5.979 -1.871 -3.097 1.00 0.52 H new ATOM 0 HD11 ILE A 97 -3.646 0.813 -6.399 1.00 1.28 H new ATOM 0 HD12 ILE A 97 -5.243 1.577 -6.220 1.00 1.28 H new ATOM 0 HD13 ILE A 97 -4.013 1.778 -4.950 1.00 1.28 H new ATOM 1446 N CYS A 98 -9.272 -0.590 -2.934 1.00 0.49 N ATOM 1447 CA CYS A 98 -10.144 -0.339 -1.785 1.00 0.52 C ATOM 1448 C CYS A 98 -9.337 -0.451 -0.479 1.00 0.53 C ATOM 1449 O CYS A 98 -8.756 -1.500 -0.176 1.00 0.59 O ATOM 1450 CB CYS A 98 -11.382 -1.252 -1.835 1.00 0.62 C ATOM 1451 SG CYS A 98 -10.952 -3.011 -1.748 1.00 1.65 S ATOM 0 H CYS A 98 -9.270 -1.561 -3.247 1.00 0.49 H new ATOM 0 HA CYS A 98 -10.528 0.680 -1.823 1.00 0.52 H new ATOM 0 HB2 CYS A 98 -12.047 -1.003 -1.008 1.00 0.62 H new ATOM 0 HB3 CYS A 98 -11.933 -1.061 -2.756 1.00 0.62 H new ATOM 0 HG CYS A 98 -9.857 -3.224 -2.415 1.00 1.65 H new ATOM 1457 N ALA A 99 -9.280 0.627 0.309 1.00 0.55 N ATOM 1458 CA ALA A 99 -8.469 0.658 1.526 1.00 0.59 C ATOM 1459 C ALA A 99 -9.162 -0.094 2.674 1.00 0.81 C ATOM 1460 O ALA A 99 -10.340 0.148 2.950 1.00 1.03 O ATOM 1461 CB ALA A 99 -8.185 2.122 1.891 1.00 0.62 C ATOM 0 H ALA A 99 -9.788 1.492 0.123 1.00 0.55 H new ATOM 0 HA ALA A 99 -7.523 0.147 1.350 1.00 0.59 H new ATOM 0 HB1 ALA A 99 -7.581 2.160 2.797 1.00 0.62 H new ATOM 0 HB2 ALA A 99 -7.646 2.602 1.075 1.00 0.62 H new ATOM 0 HB3 ALA A 99 -9.127 2.644 2.061 1.00 0.62 H new ATOM 1467 N THR A 100 -8.433 -0.986 3.355 1.00 0.95 N ATOM 1468 CA THR A 100 -8.974 -1.803 4.463 1.00 1.21 C ATOM 1469 C THR A 100 -8.322 -1.511 5.816 1.00 1.14 C ATOM 1470 O THR A 100 -8.900 -1.834 6.852 1.00 1.15 O ATOM 1471 CB THR A 100 -8.936 -3.297 4.070 1.00 1.59 C ATOM 1472 OG1 THR A 100 -10.185 -3.891 4.326 1.00 1.89 O ATOM 1473 CG2 THR A 100 -7.862 -4.150 4.745 1.00 3.30 C ATOM 0 H THR A 100 -7.449 -1.167 3.158 1.00 0.95 H new ATOM 0 HA THR A 100 -10.015 -1.518 4.615 1.00 1.21 H new ATOM 0 HB THR A 100 -8.682 -3.281 3.010 1.00 1.59 H new ATOM 0 HG1 THR A 100 -10.155 -4.837 4.073 1.00 1.89 H new ATOM 0 HG21 THR A 100 -7.936 -5.177 4.389 1.00 3.30 H new ATOM 0 HG22 THR A 100 -6.876 -3.752 4.503 1.00 3.30 H new ATOM 0 HG23 THR A 100 -8.006 -4.129 5.825 1.00 3.30 H new ATOM 1481 N HIS A 101 -7.206 -0.777 5.831 1.00 1.07 N ATOM 1482 CA HIS A 101 -6.571 -0.230 7.025 1.00 1.02 C ATOM 1483 C HIS A 101 -6.031 1.171 6.713 1.00 0.94 C ATOM 1484 O HIS A 101 -5.541 1.410 5.608 1.00 0.95 O ATOM 1485 CB HIS A 101 -5.404 -1.133 7.452 1.00 1.21 C ATOM 1486 CG HIS A 101 -5.760 -2.568 7.751 1.00 1.49 C ATOM 1487 ND1 HIS A 101 -5.154 -3.684 7.225 1.00 2.09 N ATOM 1488 CD2 HIS A 101 -6.737 -3.010 8.596 1.00 1.44 C ATOM 1489 CE1 HIS A 101 -5.770 -4.771 7.711 1.00 2.22 C ATOM 1490 NE2 HIS A 101 -6.730 -4.411 8.583 1.00 1.82 N ATOM 0 H HIS A 101 -6.703 -0.540 4.976 1.00 1.07 H new ATOM 0 HA HIS A 101 -7.303 -0.177 7.830 1.00 1.02 H new ATOM 0 HB2 HIS A 101 -4.653 -1.122 6.662 1.00 1.21 H new ATOM 0 HB3 HIS A 101 -4.941 -0.701 8.339 1.00 1.21 H new ATOM 0 HD1 HIS A 101 -4.368 -3.685 6.575 1.00 2.09 H new ATOM 0 HD2 HIS A 101 -7.402 -2.386 9.175 1.00 1.44 H new ATOM 0 HE1 HIS A 101 -5.530 -5.789 7.442 1.00 2.22 H new ATOM 1498 N VAL A 102 -6.103 2.097 7.672 1.00 1.05 N ATOM 1499 CA VAL A 102 -5.371 3.372 7.604 1.00 1.19 C ATOM 1500 C VAL A 102 -3.897 3.084 7.929 1.00 1.32 C ATOM 1501 O VAL A 102 -3.616 2.053 8.536 1.00 1.24 O ATOM 1502 CB VAL A 102 -6.061 4.432 8.479 1.00 1.34 C ATOM 1503 CG1 VAL A 102 -5.914 4.190 9.984 1.00 2.33 C ATOM 1504 CG2 VAL A 102 -5.569 5.825 8.112 1.00 3.43 C ATOM 0 H VAL A 102 -6.666 1.989 8.515 1.00 1.05 H new ATOM 0 HA VAL A 102 -5.387 3.812 6.607 1.00 1.19 H new ATOM 0 HB VAL A 102 -7.127 4.349 8.267 1.00 1.34 H new ATOM 0 HG11 VAL A 102 -6.428 4.980 10.531 1.00 2.33 H new ATOM 0 HG12 VAL A 102 -6.352 3.226 10.242 1.00 2.33 H new ATOM 0 HG13 VAL A 102 -4.857 4.191 10.251 1.00 2.33 H new ATOM 0 HG21 VAL A 102 -6.067 6.564 8.740 1.00 3.43 H new ATOM 0 HG22 VAL A 102 -4.492 5.883 8.268 1.00 3.43 H new ATOM 0 HG23 VAL A 102 -5.796 6.027 7.065 1.00 3.43 H new ATOM 1514 N GLY A 103 -2.928 3.924 7.554 1.00 1.59 N ATOM 1515 CA GLY A 103 -1.500 3.549 7.601 1.00 1.74 C ATOM 1516 C GLY A 103 -0.997 3.064 8.966 1.00 1.84 C ATOM 1517 O GLY A 103 -0.293 2.055 9.039 1.00 1.78 O ATOM 0 H GLY A 103 -3.100 4.870 7.213 1.00 1.59 H new ATOM 0 HA2 GLY A 103 -1.323 2.764 6.866 1.00 1.74 H new ATOM 0 HA3 GLY A 103 -0.905 4.410 7.297 1.00 1.74 H new ATOM 1521 N ALA A 104 -1.441 3.691 10.058 1.00 2.06 N ATOM 1522 CA ALA A 104 -1.118 3.251 11.421 1.00 2.24 C ATOM 1523 C ALA A 104 -1.744 1.884 11.797 1.00 1.96 C ATOM 1524 O ALA A 104 -1.148 1.116 12.552 1.00 1.97 O ATOM 1525 CB ALA A 104 -1.584 4.349 12.385 1.00 2.67 C ATOM 0 H ALA A 104 -2.035 4.519 10.024 1.00 2.06 H new ATOM 0 HA ALA A 104 -0.041 3.096 11.487 1.00 2.24 H new ATOM 0 HB1 ALA A 104 -1.359 4.053 13.410 1.00 2.67 H new ATOM 0 HB2 ALA A 104 -1.066 5.280 12.154 1.00 2.67 H new ATOM 0 HB3 ALA A 104 -2.659 4.495 12.278 1.00 2.67 H new ATOM 1531 N ASP A 105 -2.943 1.602 11.282 1.00 1.81 N ATOM 1532 CA ASP A 105 -3.707 0.351 11.410 1.00 1.73 C ATOM 1533 C ASP A 105 -3.237 -0.810 10.500 1.00 1.37 C ATOM 1534 O ASP A 105 -3.734 -1.930 10.645 1.00 1.48 O ATOM 1535 CB ASP A 105 -5.189 0.705 11.194 1.00 2.00 C ATOM 1536 CG ASP A 105 -6.179 -0.418 11.498 1.00 2.23 C ATOM 1537 OD1 ASP A 105 -6.037 -1.111 12.537 1.00 2.65 O ATOM 1538 OD2 ASP A 105 -7.169 -0.552 10.741 1.00 2.85 O ATOM 0 H ASP A 105 -3.446 2.291 10.722 1.00 1.81 H new ATOM 0 HA ASP A 105 -3.535 -0.053 12.408 1.00 1.73 H new ATOM 0 HB2 ASP A 105 -5.435 1.563 11.819 1.00 2.00 H new ATOM 0 HB3 ASP A 105 -5.324 1.016 10.158 1.00 2.00 H new ATOM 1543 N THR A 106 -2.341 -0.558 9.533 1.00 1.13 N ATOM 1544 CA THR A 106 -1.911 -1.559 8.528 1.00 1.00 C ATOM 1545 C THR A 106 -1.127 -2.723 9.130 1.00 1.02 C ATOM 1546 O THR A 106 -0.433 -2.579 10.141 1.00 1.00 O ATOM 1547 CB THR A 106 -1.049 -0.969 7.396 1.00 1.03 C ATOM 1548 OG1 THR A 106 0.121 -0.358 7.883 1.00 1.49 O ATOM 1549 CG2 THR A 106 -1.775 -0.010 6.462 1.00 1.59 C ATOM 0 H THR A 106 -1.888 0.349 9.421 1.00 1.13 H new ATOM 0 HA THR A 106 -2.857 -1.917 8.121 1.00 1.00 H new ATOM 0 HB THR A 106 -0.787 -1.841 6.797 1.00 1.03 H new ATOM 0 HG1 THR A 106 -0.089 0.546 8.197 1.00 1.49 H new ATOM 0 HG21 THR A 106 -1.083 0.350 5.701 1.00 1.59 H new ATOM 0 HG22 THR A 106 -2.605 -0.528 5.982 1.00 1.59 H new ATOM 0 HG23 THR A 106 -2.157 0.836 7.034 1.00 1.59 H new ATOM 1557 N THR A 107 -1.130 -3.867 8.435 1.00 1.15 N ATOM 1558 CA THR A 107 -0.284 -5.020 8.801 1.00 1.22 C ATOM 1559 C THR A 107 1.212 -4.656 8.834 1.00 1.18 C ATOM 1560 O THR A 107 1.938 -5.097 9.721 1.00 1.17 O ATOM 1561 CB THR A 107 -0.582 -6.220 7.885 1.00 1.45 C ATOM 1562 OG1 THR A 107 0.031 -7.393 8.366 1.00 1.62 O ATOM 1563 CG2 THR A 107 -0.136 -6.040 6.433 1.00 1.98 C ATOM 0 H THR A 107 -1.711 -4.024 7.611 1.00 1.15 H new ATOM 0 HA THR A 107 -0.538 -5.314 9.819 1.00 1.22 H new ATOM 0 HB THR A 107 -1.669 -6.296 7.900 1.00 1.45 H new ATOM 0 HG1 THR A 107 -0.176 -8.140 7.766 1.00 1.62 H new ATOM 0 HG21 THR A 107 -0.386 -6.934 5.862 1.00 1.98 H new ATOM 0 HG22 THR A 107 -0.645 -5.179 6.000 1.00 1.98 H new ATOM 0 HG23 THR A 107 0.941 -5.879 6.401 1.00 1.98 H new ATOM 1571 N LEU A 108 1.659 -3.745 7.957 1.00 1.23 N ATOM 1572 CA LEU A 108 3.019 -3.186 7.943 1.00 1.26 C ATOM 1573 C LEU A 108 3.393 -2.543 9.296 1.00 1.21 C ATOM 1574 O LEU A 108 4.445 -2.833 9.865 1.00 1.21 O ATOM 1575 CB LEU A 108 3.074 -2.141 6.807 1.00 1.42 C ATOM 1576 CG LEU A 108 4.487 -1.607 6.502 1.00 0.72 C ATOM 1577 CD1 LEU A 108 5.203 -2.522 5.511 1.00 1.58 C ATOM 1578 CD2 LEU A 108 4.427 -0.216 5.873 1.00 0.78 C ATOM 0 H LEU A 108 1.068 -3.366 7.217 1.00 1.23 H new ATOM 0 HA LEU A 108 3.743 -3.983 7.775 1.00 1.26 H new ATOM 0 HB2 LEU A 108 2.663 -2.586 5.901 1.00 1.42 H new ATOM 0 HB3 LEU A 108 2.430 -1.302 7.070 1.00 1.42 H new ATOM 0 HG LEU A 108 5.023 -1.568 7.450 1.00 0.72 H new ATOM 0 HD11 LEU A 108 6.199 -2.129 5.307 1.00 1.58 H new ATOM 0 HD12 LEU A 108 5.287 -3.523 5.935 1.00 1.58 H new ATOM 0 HD13 LEU A 108 4.634 -2.568 4.582 1.00 1.58 H new ATOM 0 HD21 LEU A 108 5.439 0.135 5.669 1.00 0.78 H new ATOM 0 HD22 LEU A 108 3.864 -0.262 4.941 1.00 0.78 H new ATOM 0 HD23 LEU A 108 3.936 0.473 6.560 1.00 0.78 H new ATOM 1590 N SER A 109 2.510 -1.686 9.812 1.00 1.20 N ATOM 1591 CA SER A 109 2.658 -0.982 11.094 1.00 1.27 C ATOM 1592 C SER A 109 2.465 -1.888 12.315 1.00 1.22 C ATOM 1593 O SER A 109 2.988 -1.587 13.388 1.00 1.34 O ATOM 1594 CB SER A 109 1.684 0.197 11.139 1.00 1.42 C ATOM 1595 OG SER A 109 2.040 1.132 10.139 1.00 2.57 O ATOM 0 H SER A 109 1.640 -1.452 9.334 1.00 1.20 H new ATOM 0 HA SER A 109 3.687 -0.625 11.149 1.00 1.27 H new ATOM 0 HB2 SER A 109 0.664 -0.152 10.981 1.00 1.42 H new ATOM 0 HB3 SER A 109 1.710 0.669 12.121 1.00 1.42 H new ATOM 0 HG SER A 109 1.241 1.390 9.633 1.00 2.57 H new ATOM 1601 N GLN A 110 1.737 -3.000 12.170 1.00 1.12 N ATOM 1602 CA GLN A 110 1.598 -4.038 13.195 1.00 1.15 C ATOM 1603 C GLN A 110 2.896 -4.837 13.386 1.00 1.15 C ATOM 1604 O GLN A 110 3.337 -5.009 14.523 1.00 1.29 O ATOM 1605 CB GLN A 110 0.417 -4.946 12.816 1.00 1.15 C ATOM 1606 CG GLN A 110 0.123 -6.075 13.812 1.00 1.19 C ATOM 1607 CD GLN A 110 -0.633 -5.559 15.017 1.00 1.27 C ATOM 1608 OE1 GLN A 110 -0.138 -5.515 16.136 1.00 1.36 O ATOM 1609 NE2 GLN A 110 -1.853 -5.123 14.826 1.00 1.37 N ATOM 0 H GLN A 110 1.217 -3.207 11.318 1.00 1.12 H new ATOM 0 HA GLN A 110 1.397 -3.567 14.157 1.00 1.15 H new ATOM 0 HB2 GLN A 110 -0.477 -4.331 12.713 1.00 1.15 H new ATOM 0 HB3 GLN A 110 0.615 -5.386 11.839 1.00 1.15 H new ATOM 0 HG2 GLN A 110 -0.459 -6.854 13.321 1.00 1.19 H new ATOM 0 HG3 GLN A 110 1.059 -6.532 14.135 1.00 1.19 H new ATOM 0 HE21 GLN A 110 -2.267 -5.159 13.895 1.00 1.37 H new ATOM 0 HE22 GLN A 110 -2.389 -4.748 15.609 1.00 1.37 H new ATOM 1618 N ILE A 111 3.522 -5.304 12.296 1.00 1.07 N ATOM 1619 CA ILE A 111 4.646 -6.262 12.338 1.00 1.11 C ATOM 1620 C ILE A 111 5.774 -5.779 13.262 1.00 1.05 C ATOM 1621 O ILE A 111 6.165 -6.490 14.190 1.00 1.15 O ATOM 1622 CB ILE A 111 5.144 -6.559 10.899 1.00 1.18 C ATOM 1623 CG1 ILE A 111 4.122 -7.458 10.162 1.00 1.30 C ATOM 1624 CG2 ILE A 111 6.526 -7.245 10.876 1.00 1.31 C ATOM 1625 CD1 ILE A 111 4.224 -7.372 8.633 1.00 1.42 C ATOM 0 H ILE A 111 3.263 -5.027 11.349 1.00 1.07 H new ATOM 0 HA ILE A 111 4.289 -7.198 12.768 1.00 1.11 H new ATOM 0 HB ILE A 111 5.243 -5.597 10.396 1.00 1.18 H new ATOM 0 HG12 ILE A 111 4.271 -8.493 10.471 1.00 1.30 H new ATOM 0 HG13 ILE A 111 3.115 -7.176 10.468 1.00 1.30 H new ATOM 0 HG21 ILE A 111 6.824 -7.429 9.844 1.00 1.31 H new ATOM 0 HG22 ILE A 111 7.261 -6.599 11.356 1.00 1.31 H new ATOM 0 HG23 ILE A 111 6.471 -8.193 11.412 1.00 1.31 H new ATOM 0 HD11 ILE A 111 3.479 -8.027 8.181 1.00 1.42 H new ATOM 0 HD12 ILE A 111 4.046 -6.345 8.314 1.00 1.42 H new ATOM 0 HD13 ILE A 111 5.220 -7.683 8.317 1.00 1.42 H new ATOM 1637 N VAL A 112 6.255 -4.545 13.079 1.00 1.00 N ATOM 1638 CA VAL A 112 7.373 -4.012 13.878 1.00 1.08 C ATOM 1639 C VAL A 112 7.020 -3.743 15.343 1.00 1.12 C ATOM 1640 O VAL A 112 7.913 -3.744 16.193 1.00 1.20 O ATOM 1641 CB VAL A 112 7.967 -2.738 13.258 1.00 1.24 C ATOM 1642 CG1 VAL A 112 8.496 -2.989 11.844 1.00 1.31 C ATOM 1643 CG2 VAL A 112 6.974 -1.572 13.196 1.00 1.29 C ATOM 0 H VAL A 112 5.890 -3.893 12.385 1.00 1.00 H new ATOM 0 HA VAL A 112 8.118 -4.808 13.864 1.00 1.08 H new ATOM 0 HB VAL A 112 8.785 -2.462 13.924 1.00 1.24 H new ATOM 0 HG11 VAL A 112 8.908 -2.064 11.440 1.00 1.31 H new ATOM 0 HG12 VAL A 112 9.276 -3.750 11.877 1.00 1.31 H new ATOM 0 HG13 VAL A 112 7.681 -3.332 11.206 1.00 1.31 H new ATOM 0 HG21 VAL A 112 7.459 -0.705 12.748 1.00 1.29 H new ATOM 0 HG22 VAL A 112 6.113 -1.859 12.592 1.00 1.29 H new ATOM 0 HG23 VAL A 112 6.643 -1.322 14.204 1.00 1.29 H new ATOM 1653 N LYS A 113 5.737 -3.513 15.660 1.00 1.19 N ATOM 1654 CA LYS A 113 5.257 -3.421 17.047 1.00 1.39 C ATOM 1655 C LYS A 113 5.161 -4.790 17.722 1.00 1.43 C ATOM 1656 O LYS A 113 5.446 -4.883 18.914 1.00 1.55 O ATOM 1657 CB LYS A 113 3.934 -2.643 17.121 1.00 1.74 C ATOM 1658 CG LYS A 113 4.129 -1.157 16.766 1.00 1.97 C ATOM 1659 CD LYS A 113 2.954 -0.289 17.230 1.00 2.49 C ATOM 1660 CE LYS A 113 3.117 0.012 18.720 1.00 3.64 C ATOM 1661 NZ LYS A 113 1.905 0.643 19.285 1.00 4.21 N ATOM 0 H LYS A 113 5.004 -3.386 14.963 1.00 1.19 H new ATOM 0 HA LYS A 113 6.001 -2.859 17.612 1.00 1.39 H new ATOM 0 HB2 LYS A 113 3.211 -3.089 16.438 1.00 1.74 H new ATOM 0 HB3 LYS A 113 3.518 -2.726 18.125 1.00 1.74 H new ATOM 0 HG2 LYS A 113 5.049 -0.794 17.224 1.00 1.97 H new ATOM 0 HG3 LYS A 113 4.249 -1.056 15.687 1.00 1.97 H new ATOM 0 HD2 LYS A 113 2.923 0.639 16.659 1.00 2.49 H new ATOM 0 HD3 LYS A 113 2.011 -0.805 17.051 1.00 2.49 H new ATOM 0 HE2 LYS A 113 3.330 -0.912 19.257 1.00 3.64 H new ATOM 0 HE3 LYS A 113 3.973 0.671 18.867 1.00 3.64 H new ATOM 0 HZ1 LYS A 113 2.052 0.833 20.297 1.00 4.21 H new ATOM 0 HZ2 LYS A 113 1.716 1.537 18.789 1.00 4.21 H new ATOM 0 HZ3 LYS A 113 1.093 0.003 19.167 1.00 4.21 H new ATOM 1675 N LEU A 114 4.805 -5.834 16.968 1.00 1.45 N ATOM 1676 CA LEU A 114 4.718 -7.221 17.437 1.00 1.71 C ATOM 1677 C LEU A 114 6.120 -7.796 17.722 1.00 1.68 C ATOM 1678 O LEU A 114 6.355 -8.343 18.795 1.00 1.93 O ATOM 1679 CB LEU A 114 3.930 -8.040 16.387 1.00 1.86 C ATOM 1680 CG LEU A 114 3.055 -9.163 16.962 1.00 2.00 C ATOM 1681 CD1 LEU A 114 2.340 -9.895 15.825 1.00 2.13 C ATOM 1682 CD2 LEU A 114 3.873 -10.178 17.753 1.00 2.20 C ATOM 0 H LEU A 114 4.561 -5.734 15.983 1.00 1.45 H new ATOM 0 HA LEU A 114 4.183 -7.272 18.385 1.00 1.71 H new ATOM 0 HB2 LEU A 114 3.295 -7.360 15.820 1.00 1.86 H new ATOM 0 HB3 LEU A 114 4.638 -8.476 15.683 1.00 1.86 H new ATOM 0 HG LEU A 114 2.336 -8.698 17.636 1.00 2.00 H new ATOM 0 HD11 LEU A 114 1.720 -10.691 16.238 1.00 2.13 H new ATOM 0 HD12 LEU A 114 1.711 -9.192 15.278 1.00 2.13 H new ATOM 0 HD13 LEU A 114 3.078 -10.324 15.148 1.00 2.13 H new ATOM 0 HD21 LEU A 114 3.213 -10.954 18.141 1.00 2.20 H new ATOM 0 HD22 LEU A 114 4.621 -10.630 17.101 1.00 2.20 H new ATOM 0 HD23 LEU A 114 4.371 -9.677 18.583 1.00 2.20 H new ATOM 1694 N VAL A 115 7.082 -7.596 16.813 1.00 1.48 N ATOM 1695 CA VAL A 115 8.471 -8.061 17.019 1.00 1.63 C ATOM 1696 C VAL A 115 9.091 -7.431 18.277 1.00 1.78 C ATOM 1697 O VAL A 115 9.702 -8.139 19.080 1.00 2.25 O ATOM 1698 CB VAL A 115 9.352 -7.835 15.776 1.00 1.50 C ATOM 1699 CG1 VAL A 115 10.810 -8.236 16.046 1.00 2.02 C ATOM 1700 CG2 VAL A 115 8.865 -8.684 14.593 1.00 1.68 C ATOM 0 H VAL A 115 6.930 -7.116 15.926 1.00 1.48 H new ATOM 0 HA VAL A 115 8.426 -9.138 17.177 1.00 1.63 H new ATOM 0 HB VAL A 115 9.286 -6.773 15.541 1.00 1.50 H new ATOM 0 HG11 VAL A 115 11.406 -8.065 15.150 1.00 2.02 H new ATOM 0 HG12 VAL A 115 11.206 -7.637 16.866 1.00 2.02 H new ATOM 0 HG13 VAL A 115 10.853 -9.292 16.314 1.00 2.02 H new ATOM 0 HG21 VAL A 115 9.505 -8.505 13.729 1.00 1.68 H new ATOM 0 HG22 VAL A 115 8.905 -9.740 14.862 1.00 1.68 H new ATOM 0 HG23 VAL A 115 7.839 -8.411 14.347 1.00 1.68 H new ATOM 1710 N GLU A 116 8.894 -6.128 18.501 1.00 1.51 N ATOM 1711 CA GLU A 116 9.378 -5.454 19.716 1.00 1.70 C ATOM 1712 C GLU A 116 8.665 -5.921 21.008 1.00 2.16 C ATOM 1713 O GLU A 116 9.281 -5.942 22.074 1.00 2.52 O ATOM 1714 CB GLU A 116 9.276 -3.930 19.509 1.00 1.50 C ATOM 1715 CG GLU A 116 10.294 -3.170 20.369 1.00 1.81 C ATOM 1716 CD GLU A 116 10.268 -1.659 20.124 1.00 2.39 C ATOM 1717 OE1 GLU A 116 9.176 -1.043 20.169 1.00 3.03 O ATOM 1718 OE2 GLU A 116 11.345 -1.044 19.925 1.00 3.49 O ATOM 0 H GLU A 116 8.400 -5.513 17.854 1.00 1.51 H new ATOM 0 HA GLU A 116 10.421 -5.733 19.869 1.00 1.70 H new ATOM 0 HB2 GLU A 116 9.440 -3.694 18.458 1.00 1.50 H new ATOM 0 HB3 GLU A 116 8.269 -3.596 19.757 1.00 1.50 H new ATOM 0 HG2 GLU A 116 10.091 -3.366 21.422 1.00 1.81 H new ATOM 0 HG3 GLU A 116 11.294 -3.550 20.161 1.00 1.81 H new ATOM 1725 N GLU A 117 7.402 -6.361 20.931 1.00 2.32 N ATOM 1726 CA GLU A 117 6.701 -7.033 22.037 1.00 2.89 C ATOM 1727 C GLU A 117 7.167 -8.477 22.281 1.00 3.28 C ATOM 1728 O GLU A 117 7.094 -8.969 23.414 1.00 3.68 O ATOM 1729 CB GLU A 117 5.196 -7.032 21.749 1.00 3.09 C ATOM 1730 CG GLU A 117 4.583 -5.641 21.905 1.00 3.03 C ATOM 1731 CD GLU A 117 3.875 -5.507 23.251 1.00 3.44 C ATOM 1732 OE1 GLU A 117 2.733 -6.007 23.394 1.00 4.32 O ATOM 1733 OE2 GLU A 117 4.485 -4.936 24.194 1.00 3.68 O ATOM 0 H GLU A 117 6.831 -6.260 20.092 1.00 2.32 H new ATOM 0 HA GLU A 117 6.936 -6.474 22.942 1.00 2.89 H new ATOM 0 HB2 GLU A 117 5.021 -7.394 20.736 1.00 3.09 H new ATOM 0 HB3 GLU A 117 4.697 -7.726 22.426 1.00 3.09 H new ATOM 0 HG2 GLU A 117 5.363 -4.884 21.823 1.00 3.03 H new ATOM 0 HG3 GLU A 117 3.875 -5.458 21.097 1.00 3.03 H new ATOM 1740 N ALA A 118 7.609 -9.177 21.237 1.00 3.27 N ATOM 1741 CA ALA A 118 8.075 -10.556 21.316 1.00 3.78 C ATOM 1742 C ALA A 118 9.429 -10.676 22.043 1.00 4.03 C ATOM 1743 O ALA A 118 9.634 -11.645 22.784 1.00 4.64 O ATOM 1744 CB ALA A 118 8.104 -11.135 19.898 1.00 3.79 C ATOM 0 H ALA A 118 7.653 -8.791 20.294 1.00 3.27 H new ATOM 0 HA ALA A 118 7.385 -11.142 21.923 1.00 3.78 H new ATOM 0 HB1 ALA A 118 8.450 -12.168 19.934 1.00 3.79 H new ATOM 0 HB2 ALA A 118 7.101 -11.103 19.471 1.00 3.79 H new ATOM 0 HB3 ALA A 118 8.781 -10.547 19.279 1.00 3.79 H new ATOM 1750 N GLN A 119 10.333 -9.695 21.884 1.00 3.68 N ATOM 1751 CA GLN A 119 11.624 -9.570 22.585 1.00 3.96 C ATOM 1752 C GLN A 119 11.471 -9.211 24.074 1.00 4.28 C ATOM 1753 O GLN A 119 12.131 -9.858 24.919 1.00 4.74 O ATOM 1754 CB GLN A 119 12.452 -8.470 21.883 1.00 3.60 C ATOM 1755 CG GLN A 119 13.023 -8.628 20.464 1.00 3.45 C ATOM 1756 CD GLN A 119 12.795 -9.993 19.870 1.00 3.77 C ATOM 1757 OE1 GLN A 119 13.533 -10.942 20.086 1.00 4.59 O ATOM 1758 NE2 GLN A 119 11.716 -10.167 19.153 1.00 3.78 N ATOM 0 H GLN A 119 10.176 -8.928 21.230 1.00 3.68 H new ATOM 0 HA GLN A 119 12.119 -10.540 22.543 1.00 3.96 H new ATOM 0 HB2 GLN A 119 11.829 -7.576 21.868 1.00 3.60 H new ATOM 0 HB3 GLN A 119 13.299 -8.257 22.535 1.00 3.60 H new ATOM 0 HG2 GLN A 119 12.571 -7.878 19.814 1.00 3.45 H new ATOM 0 HG3 GLN A 119 14.094 -8.426 20.488 1.00 3.45 H new ATOM 0 HE21 GLN A 119 11.094 -9.380 18.968 1.00 3.78 H new ATOM 0 HE22 GLN A 119 11.496 -11.090 18.779 1.00 3.78 H new TER 1767 GLN A 119