USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 49 THR OG1 : rot 180:sc= 0.807 USER MOD Set 1.2: A 104 GLN : amide:sc= 1.28 K(o=2.1,f=-4!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ 174:sc= 0.642 (180deg=0) USER MOD Set 2.2: A 7 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.3: A 17 THR OG1 : rot 94:sc= 1.83 USER MOD Single : A 1 GLY N :NH3+ 177:sc= 1.72 (180deg=1.66) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 15 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.86) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc=-0.00553 USER MOD Single : A 21 CYS SG : rot 98:sc= 0 USER MOD Single : A 25 THR OG1 : rot 92:sc= 1.17 USER MOD Single : A 31 GLN : amide:sc= 0.813 K(o=0.81,f=-5.1!) USER MOD Single : A 33 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.1) USER MOD Single : A 34 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 37 MET CE :methyl -152:sc= -0.579 (180deg=-1.14) USER MOD Single : A 44 SER OG : rot -74:sc= 0.149 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0077 USER MOD Single : A 51 HIS : no HE2:sc= 0.291 K(o=0.29,f=-1.3) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.353 K(o=-0.35,f=-5.2!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 82 THR OG1 : rot 147:sc= 1.23 USER MOD Single : A 83 SER OG : rot 160:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 156:sc= -0.857 (180deg=-1.29) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -170:sc= 1.27 USER MOD Single : A 108 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.32) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc=-0.00573 K(o=-0.0057,f=-1.2!) USER MOD Single : A 112 ASN : amide:sc= 0.477 K(o=0.48,f=-4.5!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.769 23.756 15.870 1.00 0.00 N ATOM 2 CA GLY A 1 46.465 23.994 17.289 1.00 0.00 C ATOM 3 C GLY A 1 45.051 23.573 17.614 1.00 0.00 C ATOM 4 O GLY A 1 44.240 24.418 17.969 1.00 0.00 O ATOM 0 H1 GLY A 1 47.728 24.099 15.658 1.00 0.00 H new ATOM 0 H2 GLY A 1 46.714 22.737 15.669 1.00 0.00 H new ATOM 0 H3 GLY A 1 46.081 24.263 15.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.166 23.440 17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 46.597 25.051 17.521 1.00 0.00 H new ATOM 10 N GLU A 2 44.735 22.285 17.473 1.00 0.00 N ATOM 11 CA GLU A 2 43.398 21.728 17.742 1.00 0.00 C ATOM 12 C GLU A 2 43.524 20.372 18.457 1.00 0.00 C ATOM 13 O GLU A 2 44.465 19.620 18.186 1.00 0.00 O ATOM 14 CB GLU A 2 42.592 21.543 16.439 1.00 0.00 C ATOM 15 CG GLU A 2 42.422 22.783 15.540 1.00 0.00 C ATOM 16 CD GLU A 2 43.646 23.080 14.659 1.00 0.00 C ATOM 17 OE1 GLU A 2 44.053 22.208 13.852 1.00 0.00 O ATOM 18 OE2 GLU A 2 44.252 24.172 14.784 1.00 0.00 O ATOM 0 H GLU A 2 45.408 21.584 17.164 1.00 0.00 H new ATOM 0 HA GLU A 2 42.868 22.435 18.380 1.00 0.00 H new ATOM 0 HB2 GLU A 2 43.073 20.762 15.851 1.00 0.00 H new ATOM 0 HB3 GLU A 2 41.600 21.178 16.703 1.00 0.00 H new ATOM 0 HG2 GLU A 2 41.551 22.640 14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 2 42.218 23.651 16.168 1.00 0.00 H new ATOM 25 N GLU A 3 42.605 20.022 19.361 1.00 0.00 N ATOM 26 CA GLU A 3 42.678 18.766 20.135 1.00 0.00 C ATOM 27 C GLU A 3 41.309 18.159 20.508 1.00 0.00 C ATOM 28 O GLU A 3 41.201 16.938 20.655 1.00 0.00 O ATOM 29 CB GLU A 3 43.503 19.056 21.405 1.00 0.00 C ATOM 30 CG GLU A 3 43.930 17.827 22.216 1.00 0.00 C ATOM 31 CD GLU A 3 44.952 16.939 21.494 1.00 0.00 C ATOM 32 OE1 GLU A 3 44.569 16.152 20.596 1.00 0.00 O ATOM 33 OE2 GLU A 3 46.152 16.975 21.860 1.00 0.00 O ATOM 0 H GLU A 3 41.790 20.594 19.581 1.00 0.00 H new ATOM 0 HA GLU A 3 43.147 18.012 19.503 1.00 0.00 H new ATOM 0 HB2 GLU A 3 44.398 19.607 21.116 1.00 0.00 H new ATOM 0 HB3 GLU A 3 42.920 19.711 22.053 1.00 0.00 H new ATOM 0 HG2 GLU A 3 44.354 18.157 23.164 1.00 0.00 H new ATOM 0 HG3 GLU A 3 43.047 17.233 22.451 1.00 0.00 H new ATOM 40 N LEU A 4 40.266 18.983 20.659 1.00 0.00 N ATOM 41 CA LEU A 4 38.926 18.659 21.185 1.00 0.00 C ATOM 42 C LEU A 4 37.860 19.516 20.452 1.00 0.00 C ATOM 43 O LEU A 4 38.207 20.303 19.566 1.00 0.00 O ATOM 44 CB LEU A 4 38.940 18.953 22.705 1.00 0.00 C ATOM 45 CG LEU A 4 39.996 18.174 23.524 1.00 0.00 C ATOM 46 CD1 LEU A 4 40.098 18.732 24.934 1.00 0.00 C ATOM 47 CD2 LEU A 4 39.687 16.684 23.640 1.00 0.00 C ATOM 0 H LEU A 4 40.337 19.967 20.399 1.00 0.00 H new ATOM 0 HA LEU A 4 38.675 17.611 21.018 1.00 0.00 H new ATOM 0 HB2 LEU A 4 39.108 20.020 22.849 1.00 0.00 H new ATOM 0 HB3 LEU A 4 37.953 18.728 23.110 1.00 0.00 H new ATOM 0 HG LEU A 4 40.933 18.295 22.981 1.00 0.00 H new ATOM 0 HD11 LEU A 4 40.846 18.171 25.494 1.00 0.00 H new ATOM 0 HD12 LEU A 4 40.390 19.781 24.890 1.00 0.00 H new ATOM 0 HD13 LEU A 4 39.132 18.645 25.431 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.466 16.196 24.226 1.00 0.00 H new ATOM 0 HD22 LEU A 4 38.724 16.549 24.132 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.651 16.241 22.645 1.00 0.00 H new ATOM 59 N LYS A 5 36.567 19.417 20.800 1.00 0.00 N ATOM 60 CA LYS A 5 35.542 20.399 20.388 1.00 0.00 C ATOM 61 C LYS A 5 34.532 20.709 21.500 1.00 0.00 C ATOM 62 O LYS A 5 34.325 19.886 22.388 1.00 0.00 O ATOM 63 CB LYS A 5 34.863 19.990 19.066 1.00 0.00 C ATOM 64 CG LYS A 5 33.790 18.897 19.175 1.00 0.00 C ATOM 65 CD LYS A 5 32.926 18.909 17.908 1.00 0.00 C ATOM 66 CE LYS A 5 31.619 18.120 18.066 1.00 0.00 C ATOM 67 NZ LYS A 5 30.709 18.377 16.925 1.00 0.00 N ATOM 0 H LYS A 5 36.200 18.657 21.373 1.00 0.00 H new ATOM 0 HA LYS A 5 36.065 21.337 20.200 1.00 0.00 H new ATOM 0 HB2 LYS A 5 34.408 20.876 18.624 1.00 0.00 H new ATOM 0 HB3 LYS A 5 35.633 19.649 18.374 1.00 0.00 H new ATOM 0 HG2 LYS A 5 34.259 17.921 19.300 1.00 0.00 H new ATOM 0 HG3 LYS A 5 33.169 19.067 20.055 1.00 0.00 H new ATOM 0 HD2 LYS A 5 32.692 19.940 17.644 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.499 18.491 17.080 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.838 17.054 18.130 1.00 0.00 H new ATOM 0 HE3 LYS A 5 31.129 18.401 18.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 29.876 17.758 16.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 30.404 19.371 16.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 31.207 18.182 16.033 1.00 0.00 H new ATOM 81 N ILE A 6 33.898 21.875 21.397 1.00 0.00 N ATOM 82 CA ILE A 6 32.828 22.413 22.255 1.00 0.00 C ATOM 83 C ILE A 6 31.663 22.871 21.368 1.00 0.00 C ATOM 84 O ILE A 6 31.878 23.426 20.292 1.00 0.00 O ATOM 85 CB ILE A 6 33.357 23.576 23.146 1.00 0.00 C ATOM 86 CG1 ILE A 6 32.253 24.382 23.899 1.00 0.00 C ATOM 87 CG2 ILE A 6 34.153 24.580 22.298 1.00 0.00 C ATOM 88 CD1 ILE A 6 32.769 25.133 25.133 1.00 0.00 C ATOM 0 H ILE A 6 34.135 22.528 20.650 1.00 0.00 H new ATOM 0 HA ILE A 6 32.476 21.633 22.930 1.00 0.00 H new ATOM 0 HB ILE A 6 33.975 23.081 23.895 1.00 0.00 H new ATOM 0 HG12 ILE A 6 31.805 25.098 23.210 1.00 0.00 H new ATOM 0 HG13 ILE A 6 31.462 23.698 24.206 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.516 25.387 22.935 1.00 0.00 H new ATOM 0 HG22 ILE A 6 35.000 24.074 21.835 1.00 0.00 H new ATOM 0 HG23 ILE A 6 33.508 24.992 21.522 1.00 0.00 H new ATOM 0 HD11 ILE A 6 31.945 25.669 25.603 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.190 24.421 25.842 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.539 25.843 24.831 1.00 0.00 H new ATOM 100 N THR A 7 30.430 22.689 21.828 1.00 0.00 N ATOM 101 CA THR A 7 29.221 23.215 21.186 1.00 0.00 C ATOM 102 C THR A 7 28.465 24.134 22.128 1.00 0.00 C ATOM 103 O THR A 7 28.265 23.808 23.296 1.00 0.00 O ATOM 104 CB THR A 7 28.295 22.091 20.705 1.00 0.00 C ATOM 105 OG1 THR A 7 28.982 21.181 19.881 1.00 0.00 O ATOM 106 CG2 THR A 7 27.103 22.624 19.906 1.00 0.00 C ATOM 0 H THR A 7 30.234 22.160 22.678 1.00 0.00 H new ATOM 0 HA THR A 7 29.546 23.784 20.315 1.00 0.00 H new ATOM 0 HB THR A 7 27.938 21.597 21.609 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.368 20.475 19.590 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.477 21.791 19.587 1.00 0.00 H new ATOM 0 HG22 THR A 7 26.518 23.299 20.531 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.464 23.162 19.030 1.00 0.00 H new ATOM 114 N PHE A 8 27.996 25.261 21.602 1.00 0.00 N ATOM 115 CA PHE A 8 27.222 26.247 22.347 1.00 0.00 C ATOM 116 C PHE A 8 25.849 26.503 21.709 1.00 0.00 C ATOM 117 O PHE A 8 25.743 26.678 20.492 1.00 0.00 O ATOM 118 CB PHE A 8 28.032 27.545 22.475 1.00 0.00 C ATOM 119 CG PHE A 8 29.540 27.453 22.706 1.00 0.00 C ATOM 120 CD1 PHE A 8 30.348 27.180 21.584 1.00 0.00 C ATOM 121 CD2 PHE A 8 30.169 27.761 23.945 1.00 0.00 C ATOM 122 CE1 PHE A 8 31.740 27.214 21.677 1.00 0.00 C ATOM 123 CE2 PHE A 8 31.566 27.871 24.011 1.00 0.00 C ATOM 124 CZ PHE A 8 32.342 27.593 22.878 1.00 0.00 C ATOM 0 H PHE A 8 28.146 25.519 20.627 1.00 0.00 H new ATOM 0 HA PHE A 8 27.028 25.850 23.343 1.00 0.00 H new ATOM 0 HB2 PHE A 8 27.872 28.124 21.566 1.00 0.00 H new ATOM 0 HB3 PHE A 8 27.607 28.119 23.298 1.00 0.00 H new ATOM 0 HD1 PHE A 8 29.883 26.941 20.639 1.00 0.00 H new ATOM 0 HD2 PHE A 8 29.572 27.910 24.833 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.348 26.949 20.825 1.00 0.00 H new ATOM 0 HE2 PHE A 8 32.042 28.169 24.933 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.418 27.673 22.935 1.00 0.00 H new ATOM 134 N ILE A 9 24.806 26.573 22.545 1.00 0.00 N ATOM 135 CA ILE A 9 23.473 27.084 22.181 1.00 0.00 C ATOM 136 C ILE A 9 23.442 28.596 22.421 1.00 0.00 C ATOM 137 O ILE A 9 23.471 29.043 23.569 1.00 0.00 O ATOM 138 CB ILE A 9 22.346 26.399 22.983 1.00 0.00 C ATOM 139 CG1 ILE A 9 22.522 24.865 23.034 1.00 0.00 C ATOM 140 CG2 ILE A 9 20.969 26.839 22.433 1.00 0.00 C ATOM 141 CD1 ILE A 9 21.320 24.070 23.561 1.00 0.00 C ATOM 0 H ILE A 9 24.864 26.269 23.517 1.00 0.00 H new ATOM 0 HA ILE A 9 23.297 26.860 21.129 1.00 0.00 H new ATOM 0 HB ILE A 9 22.403 26.725 24.021 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.754 24.512 22.029 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.385 24.638 23.659 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.177 26.352 23.003 1.00 0.00 H new ATOM 0 HG22 ILE A 9 20.870 27.921 22.524 1.00 0.00 H new ATOM 0 HG23 ILE A 9 20.888 26.554 21.384 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.556 23.006 23.552 1.00 0.00 H new ATOM 0 HD12 ILE A 9 21.095 24.384 24.580 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.454 24.255 22.925 1.00 0.00 H new ATOM 153 N LEU A 10 23.405 29.368 21.338 1.00 0.00 N ATOM 154 CA LEU A 10 23.633 30.814 21.307 1.00 0.00 C ATOM 155 C LEU A 10 22.583 31.634 22.085 1.00 0.00 C ATOM 156 O LEU A 10 21.472 31.161 22.322 1.00 0.00 O ATOM 157 CB LEU A 10 23.715 31.236 19.825 1.00 0.00 C ATOM 158 CG LEU A 10 24.861 30.647 18.972 1.00 0.00 C ATOM 159 CD1 LEU A 10 25.239 31.671 17.898 1.00 0.00 C ATOM 160 CD2 LEU A 10 26.136 30.323 19.750 1.00 0.00 C ATOM 0 H LEU A 10 23.206 28.986 20.413 1.00 0.00 H new ATOM 0 HA LEU A 10 24.567 31.032 21.826 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.772 30.970 19.348 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.795 32.322 19.790 1.00 0.00 H new ATOM 0 HG LEU A 10 24.481 29.708 18.569 1.00 0.00 H new ATOM 0 HD11 LEU A 10 26.048 31.273 17.285 1.00 0.00 H new ATOM 0 HD12 LEU A 10 24.373 31.875 17.269 1.00 0.00 H new ATOM 0 HD13 LEU A 10 25.566 32.595 18.375 1.00 0.00 H new ATOM 0 HD21 LEU A 10 26.884 29.915 19.070 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.522 31.232 20.210 1.00 0.00 H new ATOM 0 HD23 LEU A 10 25.913 29.590 20.525 1.00 0.00 H new ATOM 172 N LYS A 11 22.887 32.903 22.407 1.00 0.00 N ATOM 173 CA LYS A 11 21.885 33.869 22.923 1.00 0.00 C ATOM 174 C LYS A 11 20.890 34.299 21.827 1.00 0.00 C ATOM 175 O LYS A 11 19.759 34.688 22.113 1.00 0.00 O ATOM 176 CB LYS A 11 22.583 35.067 23.613 1.00 0.00 C ATOM 177 CG LYS A 11 23.364 34.674 24.882 1.00 0.00 C ATOM 178 CD LYS A 11 22.490 34.404 26.120 1.00 0.00 C ATOM 179 CE LYS A 11 22.013 35.718 26.756 1.00 0.00 C ATOM 180 NZ LYS A 11 21.326 35.490 28.050 1.00 0.00 N ATOM 0 H LYS A 11 23.826 33.292 22.320 1.00 0.00 H new ATOM 0 HA LYS A 11 21.288 33.369 23.686 1.00 0.00 H new ATOM 0 HB2 LYS A 11 23.267 35.536 22.905 1.00 0.00 H new ATOM 0 HB3 LYS A 11 21.833 35.814 23.874 1.00 0.00 H new ATOM 0 HG2 LYS A 11 23.952 33.781 24.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 24.069 35.471 25.119 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.628 33.800 25.836 1.00 0.00 H new ATOM 0 HD3 LYS A 11 23.057 33.827 26.851 1.00 0.00 H new ATOM 0 HE2 LYS A 11 22.867 36.378 26.910 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.336 36.228 26.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.020 36.402 28.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.496 34.882 27.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.980 35.027 28.713 1.00 0.00 H new ATOM 194 N ASP A 12 21.260 34.098 20.561 1.00 0.00 N ATOM 195 CA ASP A 12 20.364 34.097 19.391 1.00 0.00 C ATOM 196 C ASP A 12 19.723 32.714 19.091 1.00 0.00 C ATOM 197 O ASP A 12 19.016 32.558 18.100 1.00 0.00 O ATOM 198 CB ASP A 12 21.165 34.642 18.199 1.00 0.00 C ATOM 199 CG ASP A 12 20.306 34.961 16.973 1.00 0.00 C ATOM 200 OD1 ASP A 12 19.348 35.765 17.080 1.00 0.00 O ATOM 201 OD2 ASP A 12 20.639 34.477 15.865 1.00 0.00 O ATOM 0 H ASP A 12 22.232 33.924 20.307 1.00 0.00 H new ATOM 0 HA ASP A 12 19.507 34.737 19.601 1.00 0.00 H new ATOM 0 HB2 ASP A 12 21.690 35.546 18.509 1.00 0.00 H new ATOM 0 HB3 ASP A 12 21.925 33.912 17.919 1.00 0.00 H new ATOM 206 N GLY A 13 19.970 31.689 19.918 1.00 0.00 N ATOM 207 CA GLY A 13 19.400 30.333 19.814 1.00 0.00 C ATOM 208 C GLY A 13 19.933 29.446 18.678 1.00 0.00 C ATOM 209 O GLY A 13 19.467 28.316 18.514 1.00 0.00 O ATOM 0 H GLY A 13 20.600 31.784 20.714 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.574 29.817 20.758 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.320 30.426 19.695 1.00 0.00 H new ATOM 213 N SER A 14 20.921 29.904 17.906 1.00 0.00 N ATOM 214 CA SER A 14 21.703 29.076 16.971 1.00 0.00 C ATOM 215 C SER A 14 22.529 28.000 17.699 1.00 0.00 C ATOM 216 O SER A 14 22.735 28.063 18.911 1.00 0.00 O ATOM 217 CB SER A 14 22.650 29.940 16.113 1.00 0.00 C ATOM 218 OG SER A 14 22.250 31.296 16.033 1.00 0.00 O ATOM 0 H SER A 14 21.210 30.882 17.910 1.00 0.00 H new ATOM 0 HA SER A 14 20.977 28.581 16.326 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.656 29.889 16.530 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.700 29.523 15.107 1.00 0.00 H new ATOM 0 HG SER A 14 22.888 31.793 15.479 1.00 0.00 H new ATOM 224 N GLN A 15 23.053 27.026 16.958 1.00 0.00 N ATOM 225 CA GLN A 15 24.048 26.050 17.407 1.00 0.00 C ATOM 226 C GLN A 15 25.349 26.270 16.668 1.00 0.00 C ATOM 227 O GLN A 15 25.358 26.495 15.454 1.00 0.00 O ATOM 228 CB GLN A 15 23.594 24.613 17.120 1.00 0.00 C ATOM 229 CG GLN A 15 22.393 24.119 17.939 1.00 0.00 C ATOM 230 CD GLN A 15 21.135 24.970 17.803 1.00 0.00 C ATOM 231 OE1 GLN A 15 20.478 24.995 16.770 1.00 0.00 O ATOM 232 NE2 GLN A 15 20.777 25.721 18.818 1.00 0.00 N ATOM 0 H GLN A 15 22.784 26.888 15.984 1.00 0.00 H new ATOM 0 HA GLN A 15 24.174 26.186 18.481 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.346 24.534 16.062 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.434 23.943 17.301 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.159 23.098 17.636 1.00 0.00 H new ATOM 0 HG3 GLN A 15 22.678 24.082 18.990 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.320 25.705 19.681 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.956 26.321 18.744 1.00 0.00 H new ATOM 241 N LYS A 16 26.447 26.188 17.412 1.00 0.00 N ATOM 242 CA LYS A 16 27.784 26.387 16.883 1.00 0.00 C ATOM 243 C LYS A 16 28.739 25.452 17.593 1.00 0.00 C ATOM 244 O LYS A 16 28.879 25.493 18.814 1.00 0.00 O ATOM 245 CB LYS A 16 28.195 27.835 17.094 1.00 0.00 C ATOM 246 CG LYS A 16 27.340 28.875 16.352 1.00 0.00 C ATOM 247 CD LYS A 16 27.348 28.879 14.811 1.00 0.00 C ATOM 248 CE LYS A 16 28.519 29.693 14.250 1.00 0.00 C ATOM 249 NZ LYS A 16 28.250 30.191 12.879 1.00 0.00 N ATOM 0 H LYS A 16 26.429 25.979 18.410 1.00 0.00 H new ATOM 0 HA LYS A 16 27.806 26.170 15.815 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.159 28.054 18.161 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.232 27.951 16.780 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.307 28.745 16.676 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.658 29.863 16.686 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.410 27.854 14.445 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.409 29.293 14.444 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.720 30.538 14.909 1.00 0.00 H new ATOM 0 HE3 LYS A 16 29.417 29.075 14.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 29.069 30.736 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.084 29.385 12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 27.409 30.802 12.891 1.00 0.00 H new ATOM 263 N THR A 17 29.352 24.607 16.788 1.00 0.00 N ATOM 264 CA THR A 17 30.333 23.582 17.196 1.00 0.00 C ATOM 265 C THR A 17 31.751 23.945 16.724 1.00 0.00 C ATOM 266 O THR A 17 31.983 24.146 15.530 1.00 0.00 O ATOM 267 CB THR A 17 29.867 22.167 16.794 1.00 0.00 C ATOM 268 OG1 THR A 17 30.440 21.201 17.642 1.00 0.00 O ATOM 269 CG2 THR A 17 30.196 21.714 15.373 1.00 0.00 C ATOM 0 H THR A 17 29.182 24.604 15.782 1.00 0.00 H new ATOM 0 HA THR A 17 30.390 23.565 18.284 1.00 0.00 H new ATOM 0 HB THR A 17 28.783 22.244 16.873 1.00 0.00 H new ATOM 0 HG1 THR A 17 29.827 21.011 18.383 1.00 0.00 H new ATOM 0 HG21 THR A 17 29.816 20.705 15.216 1.00 0.00 H new ATOM 0 HG22 THR A 17 29.731 22.393 14.658 1.00 0.00 H new ATOM 0 HG23 THR A 17 31.277 21.721 15.230 1.00 0.00 H new ATOM 277 N TYR A 18 32.687 24.090 17.669 1.00 0.00 N ATOM 278 CA TYR A 18 33.991 24.763 17.521 1.00 0.00 C ATOM 279 C TYR A 18 35.152 23.905 18.057 1.00 0.00 C ATOM 280 O TYR A 18 35.024 23.275 19.106 1.00 0.00 O ATOM 281 CB TYR A 18 33.954 26.102 18.284 1.00 0.00 C ATOM 282 CG TYR A 18 33.079 27.226 17.723 1.00 0.00 C ATOM 283 CD1 TYR A 18 32.585 27.189 16.401 1.00 0.00 C ATOM 284 CD2 TYR A 18 32.807 28.364 18.516 1.00 0.00 C ATOM 285 CE1 TYR A 18 31.821 28.245 15.882 1.00 0.00 C ATOM 286 CE2 TYR A 18 32.070 29.441 17.984 1.00 0.00 C ATOM 287 CZ TYR A 18 31.592 29.393 16.659 1.00 0.00 C ATOM 288 OH TYR A 18 30.965 30.464 16.110 1.00 0.00 O ATOM 0 H TYR A 18 32.552 23.722 18.611 1.00 0.00 H new ATOM 0 HA TYR A 18 34.165 24.926 16.457 1.00 0.00 H new ATOM 0 HB2 TYR A 18 33.622 25.897 19.302 1.00 0.00 H new ATOM 0 HB3 TYR A 18 34.976 26.476 18.351 1.00 0.00 H new ATOM 0 HD1 TYR A 18 32.799 26.333 15.778 1.00 0.00 H new ATOM 0 HD2 TYR A 18 33.165 28.408 19.534 1.00 0.00 H new ATOM 0 HE1 TYR A 18 31.409 28.176 14.886 1.00 0.00 H new ATOM 0 HE2 TYR A 18 31.870 30.309 18.595 1.00 0.00 H new ATOM 0 HH TYR A 18 30.884 31.174 16.780 1.00 0.00 H new ATOM 298 N GLU A 19 36.306 23.904 17.379 1.00 0.00 N ATOM 299 CA GLU A 19 37.462 23.047 17.706 1.00 0.00 C ATOM 300 C GLU A 19 38.529 23.753 18.569 1.00 0.00 C ATOM 301 O GLU A 19 39.064 24.802 18.204 1.00 0.00 O ATOM 302 CB GLU A 19 38.030 22.375 16.440 1.00 0.00 C ATOM 303 CG GLU A 19 38.567 23.325 15.354 1.00 0.00 C ATOM 304 CD GLU A 19 38.926 22.595 14.049 1.00 0.00 C ATOM 305 OE1 GLU A 19 39.143 21.358 14.050 1.00 0.00 O ATOM 306 OE2 GLU A 19 38.976 23.253 12.978 1.00 0.00 O ATOM 0 H GLU A 19 36.470 24.508 16.573 1.00 0.00 H new ATOM 0 HA GLU A 19 37.095 22.247 18.348 1.00 0.00 H new ATOM 0 HB2 GLU A 19 38.836 21.705 16.739 1.00 0.00 H new ATOM 0 HB3 GLU A 19 37.248 21.757 15.999 1.00 0.00 H new ATOM 0 HG2 GLU A 19 37.819 24.089 15.144 1.00 0.00 H new ATOM 0 HG3 GLU A 19 39.450 23.840 15.732 1.00 0.00 H new ATOM 313 N VAL A 20 38.831 23.180 19.736 1.00 0.00 N ATOM 314 CA VAL A 20 39.569 23.804 20.855 1.00 0.00 C ATOM 315 C VAL A 20 40.655 22.886 21.421 1.00 0.00 C ATOM 316 O VAL A 20 40.874 21.773 20.934 1.00 0.00 O ATOM 317 CB VAL A 20 38.583 24.215 21.972 1.00 0.00 C ATOM 318 CG1 VAL A 20 37.577 25.264 21.505 1.00 0.00 C ATOM 319 CG2 VAL A 20 37.835 23.010 22.547 1.00 0.00 C ATOM 0 H VAL A 20 38.557 22.220 19.944 1.00 0.00 H new ATOM 0 HA VAL A 20 40.069 24.689 20.462 1.00 0.00 H new ATOM 0 HB VAL A 20 39.197 24.656 22.758 1.00 0.00 H new ATOM 0 HG11 VAL A 20 36.908 25.518 22.327 1.00 0.00 H new ATOM 0 HG12 VAL A 20 38.108 26.159 21.180 1.00 0.00 H new ATOM 0 HG13 VAL A 20 36.995 24.866 20.674 1.00 0.00 H new ATOM 0 HG21 VAL A 20 37.153 23.344 23.329 1.00 0.00 H new ATOM 0 HG22 VAL A 20 37.268 22.522 21.755 1.00 0.00 H new ATOM 0 HG23 VAL A 20 38.551 22.304 22.968 1.00 0.00 H new ATOM 329 N CYS A 21 41.316 23.358 22.474 1.00 0.00 N ATOM 330 CA CYS A 21 42.395 22.684 23.186 1.00 0.00 C ATOM 331 C CYS A 21 42.083 22.489 24.688 1.00 0.00 C ATOM 332 O CYS A 21 41.145 23.074 25.227 1.00 0.00 O ATOM 333 CB CYS A 21 43.663 23.492 22.923 1.00 0.00 C ATOM 334 SG CYS A 21 44.241 23.182 21.227 1.00 0.00 S ATOM 0 H CYS A 21 41.101 24.271 22.875 1.00 0.00 H new ATOM 0 HA CYS A 21 42.526 21.665 22.821 1.00 0.00 H new ATOM 0 HB2 CYS A 21 43.465 24.555 23.062 1.00 0.00 H new ATOM 0 HB3 CYS A 21 44.438 23.216 23.638 1.00 0.00 H new ATOM 0 HG CYS A 21 43.835 24.141 20.448 1.00 0.00 H new ATOM 340 N GLU A 22 42.831 21.613 25.365 1.00 0.00 N ATOM 341 CA GLU A 22 42.539 21.118 26.716 1.00 0.00 C ATOM 342 C GLU A 22 42.856 22.136 27.840 1.00 0.00 C ATOM 343 O GLU A 22 43.802 22.919 27.736 1.00 0.00 O ATOM 344 CB GLU A 22 43.308 19.789 26.859 1.00 0.00 C ATOM 345 CG GLU A 22 42.714 18.872 27.918 1.00 0.00 C ATOM 346 CD GLU A 22 43.462 17.538 28.076 1.00 0.00 C ATOM 347 OE1 GLU A 22 44.066 17.018 27.105 1.00 0.00 O ATOM 348 OE2 GLU A 22 43.471 16.994 29.205 1.00 0.00 O ATOM 0 H GLU A 22 43.686 21.215 24.976 1.00 0.00 H new ATOM 0 HA GLU A 22 41.467 20.961 26.837 1.00 0.00 H new ATOM 0 HB2 GLU A 22 43.312 19.272 25.899 1.00 0.00 H new ATOM 0 HB3 GLU A 22 44.347 20.002 27.111 1.00 0.00 H new ATOM 0 HG2 GLU A 22 42.712 19.392 28.876 1.00 0.00 H new ATOM 0 HG3 GLU A 22 41.674 18.667 27.665 1.00 0.00 H new ATOM 355 N GLY A 23 42.071 22.156 28.928 1.00 0.00 N ATOM 356 CA GLY A 23 42.192 23.113 30.040 1.00 0.00 C ATOM 357 C GLY A 23 41.463 24.445 29.820 1.00 0.00 C ATOM 358 O GLY A 23 41.192 25.159 30.786 1.00 0.00 O ATOM 0 H GLY A 23 41.312 21.488 29.063 1.00 0.00 H new ATOM 0 HA2 GLY A 23 41.805 22.647 30.946 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.249 23.317 30.213 1.00 0.00 H new ATOM 362 N GLU A 24 41.075 24.757 28.580 1.00 0.00 N ATOM 363 CA GLU A 24 40.305 25.957 28.250 1.00 0.00 C ATOM 364 C GLU A 24 38.886 25.900 28.849 1.00 0.00 C ATOM 365 O GLU A 24 38.190 24.884 28.773 1.00 0.00 O ATOM 366 CB GLU A 24 40.262 26.150 26.726 1.00 0.00 C ATOM 367 CG GLU A 24 41.646 26.293 26.066 1.00 0.00 C ATOM 368 CD GLU A 24 42.342 27.622 26.392 1.00 0.00 C ATOM 369 OE1 GLU A 24 41.828 28.694 25.987 1.00 0.00 O ATOM 370 OE2 GLU A 24 43.431 27.620 27.015 1.00 0.00 O ATOM 0 H GLU A 24 41.290 24.176 27.769 1.00 0.00 H new ATOM 0 HA GLU A 24 40.803 26.819 28.695 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.745 25.301 26.278 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.671 27.038 26.500 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.282 25.469 26.390 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.536 26.204 24.985 1.00 0.00 H new ATOM 377 N THR A 25 38.466 27.004 29.463 1.00 0.00 N ATOM 378 CA THR A 25 37.233 27.161 30.255 1.00 0.00 C ATOM 379 C THR A 25 36.040 27.516 29.367 1.00 0.00 C ATOM 380 O THR A 25 36.188 28.134 28.319 1.00 0.00 O ATOM 381 CB THR A 25 37.463 28.203 31.349 1.00 0.00 C ATOM 382 OG1 THR A 25 38.834 28.381 31.667 1.00 0.00 O ATOM 383 CG2 THR A 25 36.839 27.708 32.635 1.00 0.00 C ATOM 0 H THR A 25 39.005 27.869 29.423 1.00 0.00 H new ATOM 0 HA THR A 25 36.989 26.210 30.729 1.00 0.00 H new ATOM 0 HB THR A 25 37.038 29.133 30.972 1.00 0.00 H new ATOM 0 HG1 THR A 25 39.207 29.100 31.116 1.00 0.00 H new ATOM 0 HG21 THR A 25 36.997 28.444 33.423 1.00 0.00 H new ATOM 0 HG22 THR A 25 35.769 27.559 32.487 1.00 0.00 H new ATOM 0 HG23 THR A 25 37.300 26.763 32.923 1.00 0.00 H new ATOM 391 N ILE A 26 34.826 27.162 29.775 1.00 0.00 N ATOM 392 CA ILE A 26 33.609 27.373 28.962 1.00 0.00 C ATOM 393 C ILE A 26 33.289 28.863 28.792 1.00 0.00 C ATOM 394 O ILE A 26 33.025 29.295 27.667 1.00 0.00 O ATOM 395 CB ILE A 26 32.443 26.603 29.610 1.00 0.00 C ATOM 396 CG1 ILE A 26 32.742 25.110 29.846 1.00 0.00 C ATOM 397 CG2 ILE A 26 31.166 26.727 28.775 1.00 0.00 C ATOM 398 CD1 ILE A 26 33.136 24.331 28.602 1.00 0.00 C ATOM 0 H ILE A 26 34.646 26.720 30.677 1.00 0.00 H new ATOM 0 HA ILE A 26 33.776 26.988 27.956 1.00 0.00 H new ATOM 0 HB ILE A 26 32.303 27.069 30.586 1.00 0.00 H new ATOM 0 HG12 ILE A 26 33.545 25.027 30.578 1.00 0.00 H new ATOM 0 HG13 ILE A 26 31.860 24.643 30.285 1.00 0.00 H new ATOM 0 HG21 ILE A 26 30.361 26.173 29.257 1.00 0.00 H new ATOM 0 HG22 ILE A 26 30.886 27.777 28.693 1.00 0.00 H new ATOM 0 HG23 ILE A 26 31.341 26.319 27.780 1.00 0.00 H new ATOM 0 HD11 ILE A 26 33.326 23.291 28.869 1.00 0.00 H new ATOM 0 HD12 ILE A 26 32.327 24.376 27.873 1.00 0.00 H new ATOM 0 HD13 ILE A 26 34.038 24.766 28.171 1.00 0.00 H new ATOM 410 N LEU A 27 33.403 29.664 29.861 1.00 0.00 N ATOM 411 CA LEU A 27 33.388 31.130 29.751 1.00 0.00 C ATOM 412 C LEU A 27 34.507 31.640 28.818 1.00 0.00 C ATOM 413 O LEU A 27 34.305 32.545 28.007 1.00 0.00 O ATOM 414 CB LEU A 27 33.532 31.774 31.142 1.00 0.00 C ATOM 415 CG LEU A 27 32.188 32.247 31.715 1.00 0.00 C ATOM 416 CD1 LEU A 27 31.532 31.125 32.506 1.00 0.00 C ATOM 417 CD2 LEU A 27 32.365 33.513 32.541 1.00 0.00 C ATOM 0 H LEU A 27 33.507 29.320 30.815 1.00 0.00 H new ATOM 0 HA LEU A 27 32.430 31.417 29.319 1.00 0.00 H new ATOM 0 HB2 LEU A 27 33.982 31.055 31.827 1.00 0.00 H new ATOM 0 HB3 LEU A 27 34.214 32.622 31.077 1.00 0.00 H new ATOM 0 HG LEU A 27 31.520 32.502 30.893 1.00 0.00 H new ATOM 0 HD11 LEU A 27 30.580 31.472 32.908 1.00 0.00 H new ATOM 0 HD12 LEU A 27 31.360 30.271 31.851 1.00 0.00 H new ATOM 0 HD13 LEU A 27 32.185 30.828 33.326 1.00 0.00 H new ATOM 0 HD21 LEU A 27 31.399 33.828 32.936 1.00 0.00 H new ATOM 0 HD22 LEU A 27 33.048 33.316 33.367 1.00 0.00 H new ATOM 0 HD23 LEU A 27 32.775 34.303 31.912 1.00 0.00 H new ATOM 429 N ASP A 28 35.684 31.019 28.906 1.00 0.00 N ATOM 430 CA ASP A 28 36.895 31.424 28.193 1.00 0.00 C ATOM 431 C ASP A 28 36.841 31.120 26.683 1.00 0.00 C ATOM 432 O ASP A 28 37.398 31.896 25.911 1.00 0.00 O ATOM 433 CB ASP A 28 38.127 30.792 28.857 1.00 0.00 C ATOM 434 CG ASP A 28 38.458 31.312 30.263 1.00 0.00 C ATOM 435 OD1 ASP A 28 37.689 32.104 30.856 1.00 0.00 O ATOM 436 OD2 ASP A 28 39.481 30.845 30.819 1.00 0.00 O ATOM 0 H ASP A 28 35.825 30.196 29.493 1.00 0.00 H new ATOM 0 HA ASP A 28 36.969 32.509 28.266 1.00 0.00 H new ATOM 0 HB2 ASP A 28 37.975 29.714 28.913 1.00 0.00 H new ATOM 0 HB3 ASP A 28 38.991 30.959 28.214 1.00 0.00 H new ATOM 441 N ILE A 29 36.139 30.071 26.227 1.00 0.00 N ATOM 442 CA ILE A 29 35.895 29.808 24.791 1.00 0.00 C ATOM 443 C ILE A 29 34.764 30.685 24.262 1.00 0.00 C ATOM 444 O ILE A 29 34.840 31.120 23.115 1.00 0.00 O ATOM 445 CB ILE A 29 35.667 28.302 24.459 1.00 0.00 C ATOM 446 CG1 ILE A 29 36.711 27.355 25.112 1.00 0.00 C ATOM 447 CG2 ILE A 29 35.855 28.169 22.930 1.00 0.00 C ATOM 448 CD1 ILE A 29 36.222 25.934 25.401 1.00 0.00 C ATOM 0 H ILE A 29 35.720 29.375 26.844 1.00 0.00 H new ATOM 0 HA ILE A 29 36.813 30.079 24.270 1.00 0.00 H new ATOM 0 HB ILE A 29 34.683 28.019 24.831 1.00 0.00 H new ATOM 0 HG12 ILE A 29 37.581 27.295 24.458 1.00 0.00 H new ATOM 0 HG13 ILE A 29 37.046 27.802 26.048 1.00 0.00 H new ATOM 0 HG21 ILE A 29 35.707 27.130 22.634 1.00 0.00 H new ATOM 0 HG22 ILE A 29 35.128 28.799 22.418 1.00 0.00 H new ATOM 0 HG23 ILE A 29 36.863 28.483 22.659 1.00 0.00 H new ATOM 0 HD11 ILE A 29 37.028 25.357 25.856 1.00 0.00 H new ATOM 0 HD12 ILE A 29 35.373 25.973 26.084 1.00 0.00 H new ATOM 0 HD13 ILE A 29 35.916 25.458 24.469 1.00 0.00 H new ATOM 460 N ALA A 30 33.766 31.045 25.072 1.00 0.00 N ATOM 461 CA ALA A 30 32.694 31.906 24.582 1.00 0.00 C ATOM 462 C ALA A 30 33.235 33.268 24.087 1.00 0.00 C ATOM 463 O ALA A 30 32.934 33.672 22.963 1.00 0.00 O ATOM 464 CB ALA A 30 31.623 32.043 25.669 1.00 0.00 C ATOM 0 H ALA A 30 33.680 30.760 26.048 1.00 0.00 H new ATOM 0 HA ALA A 30 32.230 31.448 23.708 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.819 32.685 25.309 1.00 0.00 H new ATOM 0 HB2 ALA A 30 31.221 31.059 25.910 1.00 0.00 H new ATOM 0 HB3 ALA A 30 32.066 32.483 26.563 1.00 0.00 H new ATOM 470 N GLN A 31 34.117 33.925 24.854 1.00 0.00 N ATOM 471 CA GLN A 31 34.846 35.117 24.376 1.00 0.00 C ATOM 472 C GLN A 31 36.120 34.802 23.585 1.00 0.00 C ATOM 473 O GLN A 31 36.455 35.555 22.677 1.00 0.00 O ATOM 474 CB GLN A 31 35.126 36.095 25.524 1.00 0.00 C ATOM 475 CG GLN A 31 33.813 36.628 26.121 1.00 0.00 C ATOM 476 CD GLN A 31 33.940 38.009 26.750 1.00 0.00 C ATOM 477 OE1 GLN A 31 33.891 38.176 27.963 1.00 0.00 O ATOM 478 NE2 GLN A 31 34.045 39.045 25.952 1.00 0.00 N ATOM 0 H GLN A 31 34.346 33.653 25.810 1.00 0.00 H new ATOM 0 HA GLN A 31 34.178 35.599 23.662 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.707 35.596 26.299 1.00 0.00 H new ATOM 0 HB3 GLN A 31 35.729 36.927 25.160 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.057 36.664 25.337 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.457 35.927 26.876 1.00 0.00 H new ATOM 0 HE21 GLN A 31 34.086 38.909 24.942 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.086 39.987 26.342 1.00 0.00 H new ATOM 487 N GLY A 32 36.781 33.667 23.822 1.00 0.00 N ATOM 488 CA GLY A 32 37.949 33.233 23.044 1.00 0.00 C ATOM 489 C GLY A 32 37.638 32.948 21.572 1.00 0.00 C ATOM 490 O GLY A 32 38.525 33.076 20.723 1.00 0.00 O ATOM 0 H GLY A 32 36.521 33.017 24.564 1.00 0.00 H new ATOM 0 HA2 GLY A 32 38.719 34.003 23.101 1.00 0.00 H new ATOM 0 HA3 GLY A 32 38.364 32.334 23.499 1.00 0.00 H new ATOM 494 N HIS A 33 36.378 32.616 21.265 1.00 0.00 N ATOM 495 CA HIS A 33 35.831 32.468 19.919 1.00 0.00 C ATOM 496 C HIS A 33 34.926 33.636 19.482 1.00 0.00 C ATOM 497 O HIS A 33 34.389 33.639 18.373 1.00 0.00 O ATOM 498 CB HIS A 33 35.056 31.151 19.878 1.00 0.00 C ATOM 499 CG HIS A 33 35.192 30.494 18.526 1.00 0.00 C ATOM 500 ND1 HIS A 33 34.687 30.956 17.331 1.00 0.00 N ATOM 501 CD2 HIS A 33 35.976 29.414 18.228 1.00 0.00 C ATOM 502 CE1 HIS A 33 35.128 30.167 16.341 1.00 0.00 C ATOM 503 NE2 HIS A 33 35.938 29.217 16.839 1.00 0.00 N ATOM 0 H HIS A 33 35.681 32.435 21.988 1.00 0.00 H new ATOM 0 HA HIS A 33 36.662 32.471 19.213 1.00 0.00 H new ATOM 0 HB2 HIS A 33 35.428 30.480 20.653 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.004 31.336 20.094 1.00 0.00 H new ATOM 0 HD1 HIS A 33 34.077 31.766 17.218 1.00 0.00 H new ATOM 0 HD2 HIS A 33 36.528 28.816 18.938 1.00 0.00 H new ATOM 0 HE1 HIS A 33 34.871 30.278 15.298 1.00 0.00 H new ATOM 511 N ASN A 34 34.707 34.615 20.362 1.00 0.00 N ATOM 512 CA ASN A 34 33.851 35.778 20.129 1.00 0.00 C ATOM 513 C ASN A 34 32.436 35.415 19.654 1.00 0.00 C ATOM 514 O ASN A 34 31.879 36.019 18.729 1.00 0.00 O ATOM 515 CB ASN A 34 34.599 36.813 19.275 1.00 0.00 C ATOM 516 CG ASN A 34 35.700 37.431 20.105 1.00 0.00 C ATOM 517 OD1 ASN A 34 35.508 38.434 20.782 1.00 0.00 O ATOM 518 ND2 ASN A 34 36.839 36.798 20.196 1.00 0.00 N ATOM 0 H ASN A 34 35.136 34.619 21.288 1.00 0.00 H new ATOM 0 HA ASN A 34 33.647 36.262 21.084 1.00 0.00 H new ATOM 0 HB2 ASN A 34 35.018 36.338 18.388 1.00 0.00 H new ATOM 0 HB3 ASN A 34 33.911 37.584 18.929 1.00 0.00 H new ATOM 0 HD21 ASN A 34 37.563 37.139 20.828 1.00 0.00 H new ATOM 0 HD22 ASN A 34 37.004 35.962 19.635 1.00 0.00 H new ATOM 525 N LEU A 35 31.826 34.477 20.379 1.00 0.00 N ATOM 526 CA LEU A 35 30.370 34.277 20.357 1.00 0.00 C ATOM 527 C LEU A 35 29.668 35.602 20.709 1.00 0.00 C ATOM 528 O LEU A 35 30.114 36.339 21.592 1.00 0.00 O ATOM 529 CB LEU A 35 29.987 33.166 21.371 1.00 0.00 C ATOM 530 CG LEU A 35 30.388 31.745 20.895 1.00 0.00 C ATOM 531 CD1 LEU A 35 30.147 30.629 21.930 1.00 0.00 C ATOM 532 CD2 LEU A 35 29.618 31.406 19.617 1.00 0.00 C ATOM 0 H LEU A 35 32.322 33.835 20.997 1.00 0.00 H new ATOM 0 HA LEU A 35 30.051 33.966 19.362 1.00 0.00 H new ATOM 0 HB2 LEU A 35 30.469 33.372 22.327 1.00 0.00 H new ATOM 0 HB3 LEU A 35 28.911 33.195 21.544 1.00 0.00 H new ATOM 0 HG LEU A 35 31.464 31.780 20.727 1.00 0.00 H new ATOM 0 HD11 LEU A 35 30.456 29.671 21.511 1.00 0.00 H new ATOM 0 HD12 LEU A 35 30.727 30.836 22.830 1.00 0.00 H new ATOM 0 HD13 LEU A 35 29.087 30.590 22.183 1.00 0.00 H new ATOM 0 HD21 LEU A 35 29.896 30.408 19.278 1.00 0.00 H new ATOM 0 HD22 LEU A 35 28.547 31.435 19.819 1.00 0.00 H new ATOM 0 HD23 LEU A 35 29.861 32.133 18.842 1.00 0.00 H new ATOM 544 N ASP A 36 28.602 35.952 19.984 1.00 0.00 N ATOM 545 CA ASP A 36 27.904 37.232 20.113 1.00 0.00 C ATOM 546 C ASP A 36 26.912 37.169 21.258 1.00 0.00 C ATOM 547 O ASP A 36 25.740 36.809 21.128 1.00 0.00 O ATOM 548 CB ASP A 36 27.290 37.653 18.777 1.00 0.00 C ATOM 549 CG ASP A 36 28.341 37.835 17.686 1.00 0.00 C ATOM 550 OD1 ASP A 36 29.138 38.802 17.764 1.00 0.00 O ATOM 551 OD2 ASP A 36 28.412 36.972 16.777 1.00 0.00 O ATOM 0 H ASP A 36 28.193 35.341 19.277 1.00 0.00 H new ATOM 0 HA ASP A 36 28.615 38.019 20.367 1.00 0.00 H new ATOM 0 HB2 ASP A 36 26.567 36.902 18.460 1.00 0.00 H new ATOM 0 HB3 ASP A 36 26.743 38.586 18.910 1.00 0.00 H new ATOM 556 N MET A 37 27.499 37.398 22.422 1.00 0.00 N ATOM 557 CA MET A 37 27.037 36.901 23.690 1.00 0.00 C ATOM 558 C MET A 37 27.519 37.888 24.765 1.00 0.00 C ATOM 559 O MET A 37 28.673 38.333 24.777 1.00 0.00 O ATOM 560 CB MET A 37 27.573 35.449 23.811 1.00 0.00 C ATOM 561 CG MET A 37 28.951 35.328 24.466 1.00 0.00 C ATOM 562 SD MET A 37 28.922 35.373 26.276 1.00 0.00 S ATOM 563 CE MET A 37 30.675 35.698 26.520 1.00 0.00 C ATOM 0 H MET A 37 28.346 37.960 22.503 1.00 0.00 H new ATOM 0 HA MET A 37 25.955 36.843 23.805 1.00 0.00 H new ATOM 0 HB2 MET A 37 26.859 34.860 24.387 1.00 0.00 H new ATOM 0 HB3 MET A 37 27.620 35.009 22.815 1.00 0.00 H new ATOM 0 HG2 MET A 37 29.412 34.394 24.145 1.00 0.00 H new ATOM 0 HG3 MET A 37 29.585 36.138 24.104 1.00 0.00 H new ATOM 0 HE1 MET A 37 30.990 35.291 27.481 1.00 0.00 H new ATOM 0 HE2 MET A 37 31.247 35.226 25.721 1.00 0.00 H new ATOM 0 HE3 MET A 37 30.851 36.774 26.506 1.00 0.00 H new ATOM 573 N GLU A 38 26.605 38.279 25.636 1.00 0.00 N ATOM 574 CA GLU A 38 26.890 39.084 26.843 1.00 0.00 C ATOM 575 C GLU A 38 26.353 38.453 28.146 1.00 0.00 C ATOM 576 O GLU A 38 25.415 37.654 28.118 1.00 0.00 O ATOM 577 CB GLU A 38 26.419 40.542 26.668 1.00 0.00 C ATOM 578 CG GLU A 38 27.216 41.268 25.571 1.00 0.00 C ATOM 579 CD GLU A 38 26.966 42.779 25.560 1.00 0.00 C ATOM 580 OE1 GLU A 38 25.802 43.215 25.394 1.00 0.00 O ATOM 581 OE2 GLU A 38 27.942 43.557 25.686 1.00 0.00 O ATOM 0 H GLU A 38 25.617 38.048 25.534 1.00 0.00 H new ATOM 0 HA GLU A 38 27.974 39.094 26.953 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.359 40.554 26.416 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.529 41.076 27.612 1.00 0.00 H new ATOM 0 HG2 GLU A 38 28.280 41.081 25.717 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.950 40.853 24.599 1.00 0.00 H new ATOM 588 N GLY A 39 26.971 38.755 29.300 1.00 0.00 N ATOM 589 CA GLY A 39 26.510 38.282 30.617 1.00 0.00 C ATOM 590 C GLY A 39 27.238 38.874 31.837 1.00 0.00 C ATOM 591 O GLY A 39 28.287 39.505 31.692 1.00 0.00 O ATOM 0 H GLY A 39 27.808 39.336 29.346 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.447 38.504 30.710 1.00 0.00 H new ATOM 0 HA3 GLY A 39 26.613 37.197 30.648 1.00 0.00 H new ATOM 595 N ALA A 40 26.709 38.649 33.044 1.00 0.00 N ATOM 596 CA ALA A 40 27.088 39.362 34.275 1.00 0.00 C ATOM 597 C ALA A 40 28.501 39.100 34.862 1.00 0.00 C ATOM 598 O ALA A 40 29.054 40.033 35.454 1.00 0.00 O ATOM 599 CB ALA A 40 26.004 39.103 35.328 1.00 0.00 C ATOM 0 H ALA A 40 25.985 37.947 33.199 1.00 0.00 H new ATOM 0 HA ALA A 40 27.157 40.410 33.983 1.00 0.00 H new ATOM 0 HB1 ALA A 40 26.262 39.622 36.251 1.00 0.00 H new ATOM 0 HB2 ALA A 40 25.045 39.470 34.961 1.00 0.00 H new ATOM 0 HB3 ALA A 40 25.933 38.033 35.521 1.00 0.00 H new ATOM 605 N CYS A 41 29.110 37.912 34.698 1.00 0.00 N ATOM 606 CA CYS A 41 30.441 37.577 35.256 1.00 0.00 C ATOM 607 C CYS A 41 31.569 38.541 34.844 1.00 0.00 C ATOM 608 O CYS A 41 32.537 38.680 35.594 1.00 0.00 O ATOM 609 CB CYS A 41 30.816 36.106 34.973 1.00 0.00 C ATOM 610 SG CYS A 41 30.574 34.938 36.332 1.00 0.00 S ATOM 0 H CYS A 41 28.691 37.147 34.170 1.00 0.00 H new ATOM 0 HA CYS A 41 30.341 37.708 36.333 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.231 35.763 34.119 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.864 36.072 34.676 1.00 0.00 H new ATOM 615 N GLY A 42 31.435 39.232 33.703 1.00 0.00 N ATOM 616 CA GLY A 42 32.168 40.452 33.327 1.00 0.00 C ATOM 617 C GLY A 42 33.704 40.417 33.314 1.00 0.00 C ATOM 618 O GLY A 42 34.316 41.463 33.104 1.00 0.00 O ATOM 0 H GLY A 42 30.778 38.941 32.979 1.00 0.00 H new ATOM 0 HA2 GLY A 42 31.836 40.743 32.330 1.00 0.00 H new ATOM 0 HA3 GLY A 42 31.861 41.245 34.009 1.00 0.00 H new ATOM 622 N GLY A 43 34.347 39.278 33.590 1.00 0.00 N ATOM 623 CA GLY A 43 35.774 39.229 33.927 1.00 0.00 C ATOM 624 C GLY A 43 36.133 39.932 35.245 1.00 0.00 C ATOM 625 O GLY A 43 37.246 40.449 35.359 1.00 0.00 O ATOM 0 H GLY A 43 33.894 38.364 33.586 1.00 0.00 H new ATOM 0 HA2 GLY A 43 36.086 38.186 33.987 1.00 0.00 H new ATOM 0 HA3 GLY A 43 36.343 39.686 33.117 1.00 0.00 H new ATOM 629 N SER A 44 35.203 40.031 36.201 1.00 0.00 N ATOM 630 CA SER A 44 35.378 40.767 37.464 1.00 0.00 C ATOM 631 C SER A 44 36.075 39.938 38.556 1.00 0.00 C ATOM 632 O SER A 44 35.976 38.708 38.583 1.00 0.00 O ATOM 633 CB SER A 44 34.022 41.290 37.948 1.00 0.00 C ATOM 634 OG SER A 44 33.158 40.216 38.275 1.00 0.00 O ATOM 0 H SER A 44 34.286 39.593 36.119 1.00 0.00 H new ATOM 0 HA SER A 44 36.042 41.607 37.261 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.163 41.928 38.820 1.00 0.00 H new ATOM 0 HB3 SER A 44 33.567 41.906 37.173 1.00 0.00 H new ATOM 0 HG SER A 44 32.838 39.791 37.452 1.00 0.00 H new ATOM 640 N CYS A 45 36.769 40.599 39.489 1.00 0.00 N ATOM 641 CA CYS A 45 37.671 39.953 40.454 1.00 0.00 C ATOM 642 C CYS A 45 36.996 38.914 41.382 1.00 0.00 C ATOM 643 O CYS A 45 37.583 37.864 41.661 1.00 0.00 O ATOM 644 CB CYS A 45 38.376 41.062 41.251 1.00 0.00 C ATOM 645 SG CYS A 45 39.721 40.353 42.242 1.00 0.00 S ATOM 0 H CYS A 45 36.720 41.612 39.598 1.00 0.00 H new ATOM 0 HA CYS A 45 38.390 39.357 39.892 1.00 0.00 H new ATOM 0 HB2 CYS A 45 38.773 41.815 40.570 1.00 0.00 H new ATOM 0 HB3 CYS A 45 37.660 41.565 41.901 1.00 0.00 H new ATOM 0 HG CYS A 45 40.312 41.298 42.911 1.00 0.00 H new ATOM 651 N ALA A 46 35.751 39.145 41.818 1.00 0.00 N ATOM 652 CA ALA A 46 34.978 38.176 42.614 1.00 0.00 C ATOM 653 C ALA A 46 34.139 37.195 41.762 1.00 0.00 C ATOM 654 O ALA A 46 33.669 36.173 42.276 1.00 0.00 O ATOM 655 CB ALA A 46 34.124 38.949 43.628 1.00 0.00 C ATOM 0 H ALA A 46 35.247 40.012 41.629 1.00 0.00 H new ATOM 0 HA ALA A 46 35.681 37.531 43.141 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.544 38.246 44.226 1.00 0.00 H new ATOM 0 HB2 ALA A 46 34.773 39.532 44.281 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.447 39.619 43.098 1.00 0.00 H new ATOM 661 N CYS A 47 34.000 37.471 40.457 1.00 0.00 N ATOM 662 CA CYS A 47 33.089 36.803 39.523 1.00 0.00 C ATOM 663 C CYS A 47 31.587 36.979 39.879 1.00 0.00 C ATOM 664 O CYS A 47 31.244 37.711 40.821 1.00 0.00 O ATOM 665 CB CYS A 47 33.568 35.356 39.330 1.00 0.00 C ATOM 666 SG CYS A 47 33.861 34.807 37.638 1.00 0.00 S ATOM 0 H CYS A 47 34.548 38.203 40.005 1.00 0.00 H new ATOM 0 HA CYS A 47 33.133 37.293 38.550 1.00 0.00 H new ATOM 0 HB2 CYS A 47 34.493 35.228 39.892 1.00 0.00 H new ATOM 0 HB3 CYS A 47 32.828 34.692 39.778 1.00 0.00 H new ATOM 671 N SER A 48 30.679 36.399 39.082 1.00 0.00 N ATOM 672 CA SER A 48 29.221 36.612 39.167 1.00 0.00 C ATOM 673 C SER A 48 28.419 35.373 38.714 1.00 0.00 C ATOM 674 O SER A 48 28.901 34.250 38.810 1.00 0.00 O ATOM 675 CB SER A 48 28.828 37.867 38.377 1.00 0.00 C ATOM 676 OG SER A 48 27.698 38.475 38.963 1.00 0.00 O ATOM 0 H SER A 48 30.942 35.751 38.339 1.00 0.00 H new ATOM 0 HA SER A 48 28.964 36.768 40.215 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.661 38.570 38.359 1.00 0.00 H new ATOM 0 HB3 SER A 48 28.612 37.602 37.342 1.00 0.00 H new ATOM 0 HG SER A 48 27.456 39.276 38.453 1.00 0.00 H new ATOM 682 N THR A 49 27.151 35.548 38.326 1.00 0.00 N ATOM 683 CA THR A 49 26.144 34.491 38.089 1.00 0.00 C ATOM 684 C THR A 49 26.389 33.497 36.932 1.00 0.00 C ATOM 685 O THR A 49 25.516 32.666 36.672 1.00 0.00 O ATOM 686 CB THR A 49 24.726 35.086 38.036 1.00 0.00 C ATOM 687 OG1 THR A 49 24.665 36.113 37.074 1.00 0.00 O ATOM 688 CG2 THR A 49 24.326 35.688 39.383 1.00 0.00 C ATOM 0 H THR A 49 26.772 36.480 38.158 1.00 0.00 H new ATOM 0 HA THR A 49 26.259 33.849 38.962 1.00 0.00 H new ATOM 0 HB THR A 49 24.046 34.274 37.779 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.758 36.483 37.048 1.00 0.00 H new ATOM 0 HG21 THR A 49 23.319 36.100 39.313 1.00 0.00 H new ATOM 0 HG22 THR A 49 24.348 34.913 40.149 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.025 36.481 39.649 1.00 0.00 H new ATOM 696 N CYS A 50 27.546 33.541 36.257 1.00 0.00 N ATOM 697 CA CYS A 50 28.163 32.495 35.422 1.00 0.00 C ATOM 698 C CYS A 50 27.455 31.963 34.153 1.00 0.00 C ATOM 699 O CYS A 50 28.058 31.871 33.080 1.00 0.00 O ATOM 700 CB CYS A 50 28.512 31.327 36.351 1.00 0.00 C ATOM 701 SG CYS A 50 29.744 30.161 35.749 1.00 0.00 S ATOM 0 H CYS A 50 28.125 34.380 36.282 1.00 0.00 H new ATOM 0 HA CYS A 50 29.007 33.010 34.963 1.00 0.00 H new ATOM 0 HB2 CYS A 50 28.865 31.738 37.297 1.00 0.00 H new ATOM 0 HB3 CYS A 50 27.596 30.776 36.564 1.00 0.00 H new ATOM 706 N HIS A 51 26.210 31.506 34.253 1.00 0.00 N ATOM 707 CA HIS A 51 26.027 30.049 34.257 1.00 0.00 C ATOM 708 C HIS A 51 25.721 29.387 32.901 1.00 0.00 C ATOM 709 O HIS A 51 25.237 29.988 31.935 1.00 0.00 O ATOM 710 CB HIS A 51 24.958 29.692 35.304 1.00 0.00 C ATOM 711 CG HIS A 51 23.600 30.256 34.980 1.00 0.00 C ATOM 712 ND1 HIS A 51 23.135 31.504 35.321 1.00 0.00 N ATOM 713 CD2 HIS A 51 22.635 29.654 34.222 1.00 0.00 C ATOM 714 CE1 HIS A 51 21.922 31.660 34.764 1.00 0.00 C ATOM 715 NE2 HIS A 51 21.570 30.552 34.084 1.00 0.00 N ATOM 0 H HIS A 51 25.364 32.071 34.328 1.00 0.00 H new ATOM 0 HA HIS A 51 27.000 29.631 34.514 1.00 0.00 H new ATOM 0 HB2 HIS A 51 24.884 28.607 35.384 1.00 0.00 H new ATOM 0 HB3 HIS A 51 25.275 30.062 36.279 1.00 0.00 H new ATOM 0 HD1 HIS A 51 23.624 32.190 35.895 1.00 0.00 H new ATOM 0 HD2 HIS A 51 22.685 28.660 33.803 1.00 0.00 H new ATOM 0 HE1 HIS A 51 21.315 32.549 34.850 1.00 0.00 H new ATOM 723 N VAL A 52 25.994 28.081 32.882 1.00 0.00 N ATOM 724 CA VAL A 52 25.805 27.115 31.795 1.00 0.00 C ATOM 725 C VAL A 52 24.826 26.029 32.189 1.00 0.00 C ATOM 726 O VAL A 52 24.545 25.800 33.356 1.00 0.00 O ATOM 727 CB VAL A 52 27.123 26.440 31.336 1.00 0.00 C ATOM 728 CG1 VAL A 52 27.613 27.114 30.074 1.00 0.00 C ATOM 729 CG2 VAL A 52 28.288 26.496 32.327 1.00 0.00 C ATOM 0 H VAL A 52 26.391 27.629 33.706 1.00 0.00 H new ATOM 0 HA VAL A 52 25.412 27.698 30.962 1.00 0.00 H new ATOM 0 HB VAL A 52 26.854 25.391 31.211 1.00 0.00 H new ATOM 0 HG11 VAL A 52 28.540 26.643 29.747 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.860 27.015 29.292 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.793 28.171 30.272 1.00 0.00 H new ATOM 0 HG21 VAL A 52 29.155 25.993 31.898 1.00 0.00 H new ATOM 0 HG22 VAL A 52 28.539 27.536 32.536 1.00 0.00 H new ATOM 0 HG23 VAL A 52 28.002 25.999 33.254 1.00 0.00 H new ATOM 739 N ILE A 53 24.370 25.280 31.201 1.00 0.00 N ATOM 740 CA ILE A 53 23.882 23.931 31.366 1.00 0.00 C ATOM 741 C ILE A 53 24.545 23.053 30.302 1.00 0.00 C ATOM 742 O ILE A 53 24.840 23.529 29.216 1.00 0.00 O ATOM 743 CB ILE A 53 22.349 23.978 31.324 1.00 0.00 C ATOM 744 CG1 ILE A 53 21.855 22.547 31.552 1.00 0.00 C ATOM 745 CG2 ILE A 53 21.820 24.676 30.054 1.00 0.00 C ATOM 746 CD1 ILE A 53 20.598 22.194 30.835 1.00 0.00 C ATOM 0 H ILE A 53 24.330 25.607 30.236 1.00 0.00 H new ATOM 0 HA ILE A 53 24.143 23.483 32.325 1.00 0.00 H new ATOM 0 HB ILE A 53 21.941 24.606 32.116 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.638 21.855 31.244 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.700 22.398 32.621 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.730 24.684 30.070 1.00 0.00 H new ATOM 0 HG22 ILE A 53 22.190 25.701 30.021 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.165 24.137 29.172 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.329 21.162 31.059 1.00 0.00 H new ATOM 0 HD12 ILE A 53 19.796 22.857 31.159 1.00 0.00 H new ATOM 0 HD13 ILE A 53 20.748 22.305 29.761 1.00 0.00 H new ATOM 758 N VAL A 54 24.817 21.794 30.639 1.00 0.00 N ATOM 759 CA VAL A 54 25.448 20.770 29.807 1.00 0.00 C ATOM 760 C VAL A 54 24.476 19.777 29.174 1.00 0.00 C ATOM 761 O VAL A 54 23.396 19.491 29.694 1.00 0.00 O ATOM 762 CB VAL A 54 26.519 20.087 30.662 1.00 0.00 C ATOM 763 CG1 VAL A 54 25.984 19.001 31.521 1.00 0.00 C ATOM 764 CG2 VAL A 54 27.654 19.385 29.900 1.00 0.00 C ATOM 0 H VAL A 54 24.586 21.437 31.566 1.00 0.00 H new ATOM 0 HA VAL A 54 25.897 21.253 28.939 1.00 0.00 H new ATOM 0 HB VAL A 54 26.892 20.949 31.214 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.796 18.561 32.099 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.235 19.409 32.200 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.527 18.234 30.896 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.349 18.940 30.612 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.237 18.605 29.264 1.00 0.00 H new ATOM 0 HG23 VAL A 54 28.182 20.112 29.283 1.00 0.00 H new ATOM 774 N ASP A 55 24.964 19.163 28.103 1.00 0.00 N ATOM 775 CA ASP A 55 24.478 17.907 27.546 1.00 0.00 C ATOM 776 C ASP A 55 24.390 16.769 28.605 1.00 0.00 C ATOM 777 O ASP A 55 25.372 16.534 29.327 1.00 0.00 O ATOM 778 CB ASP A 55 25.581 17.508 26.558 1.00 0.00 C ATOM 779 CG ASP A 55 25.193 16.473 25.501 1.00 0.00 C ATOM 780 OD1 ASP A 55 24.349 15.592 25.777 1.00 0.00 O ATOM 781 OD2 ASP A 55 25.748 16.537 24.380 1.00 0.00 O ATOM 0 H ASP A 55 25.747 19.546 27.574 1.00 0.00 H new ATOM 0 HA ASP A 55 23.480 18.036 27.127 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.927 18.407 26.048 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.426 17.119 27.126 1.00 0.00 H new ATOM 786 N PRO A 56 23.326 15.942 28.613 1.00 0.00 N ATOM 787 CA PRO A 56 23.237 14.736 29.446 1.00 0.00 C ATOM 788 C PRO A 56 24.311 13.665 29.181 1.00 0.00 C ATOM 789 O PRO A 56 24.501 12.775 30.016 1.00 0.00 O ATOM 790 CB PRO A 56 21.833 14.177 29.196 1.00 0.00 C ATOM 791 CG PRO A 56 21.020 15.410 28.806 1.00 0.00 C ATOM 792 CD PRO A 56 22.033 16.219 28.001 1.00 0.00 C ATOM 0 HA PRO A 56 23.419 15.011 30.485 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.834 13.430 28.402 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.429 13.695 30.086 1.00 0.00 H new ATOM 0 HG2 PRO A 56 20.143 15.149 28.213 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.664 15.956 29.679 1.00 0.00 H new ATOM 0 HD2 PRO A 56 22.025 15.925 26.951 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.802 17.284 28.036 1.00 0.00 H new ATOM 800 N ASP A 57 25.037 13.756 28.060 1.00 0.00 N ATOM 801 CA ASP A 57 26.177 12.894 27.724 1.00 0.00 C ATOM 802 C ASP A 57 27.375 13.223 28.610 1.00 0.00 C ATOM 803 O ASP A 57 28.000 12.318 29.171 1.00 0.00 O ATOM 804 CB ASP A 57 26.612 13.089 26.255 1.00 0.00 C ATOM 805 CG ASP A 57 26.080 12.030 25.293 1.00 0.00 C ATOM 806 OD1 ASP A 57 26.229 10.817 25.576 1.00 0.00 O ATOM 807 OD2 ASP A 57 25.503 12.418 24.249 1.00 0.00 O ATOM 0 H ASP A 57 24.842 14.452 27.340 1.00 0.00 H new ATOM 0 HA ASP A 57 25.855 11.864 27.881 1.00 0.00 H new ATOM 0 HB2 ASP A 57 26.278 14.070 25.917 1.00 0.00 H new ATOM 0 HB3 ASP A 57 27.701 13.090 26.209 1.00 0.00 H new ATOM 812 N TYR A 58 27.701 14.512 28.751 1.00 0.00 N ATOM 813 CA TYR A 58 28.996 14.903 29.269 1.00 0.00 C ATOM 814 C TYR A 58 28.948 15.370 30.718 1.00 0.00 C ATOM 815 O TYR A 58 29.948 15.201 31.401 1.00 0.00 O ATOM 816 CB TYR A 58 29.532 15.939 28.297 1.00 0.00 C ATOM 817 CG TYR A 58 29.718 15.393 26.889 1.00 0.00 C ATOM 818 CD1 TYR A 58 30.785 14.528 26.586 1.00 0.00 C ATOM 819 CD2 TYR A 58 28.782 15.707 25.892 1.00 0.00 C ATOM 820 CE1 TYR A 58 30.951 14.044 25.271 1.00 0.00 C ATOM 821 CE2 TYR A 58 28.926 15.219 24.583 1.00 0.00 C ATOM 822 CZ TYR A 58 30.020 14.389 24.266 1.00 0.00 C ATOM 823 OH TYR A 58 30.172 13.915 23.002 1.00 0.00 O ATOM 0 H TYR A 58 27.085 15.289 28.513 1.00 0.00 H new ATOM 0 HA TYR A 58 29.674 14.051 29.324 1.00 0.00 H new ATOM 0 HB2 TYR A 58 28.848 16.787 28.265 1.00 0.00 H new ATOM 0 HB3 TYR A 58 30.487 16.314 28.664 1.00 0.00 H new ATOM 0 HD1 TYR A 58 31.478 14.234 27.361 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.937 16.334 26.135 1.00 0.00 H new ATOM 0 HE1 TYR A 58 31.791 13.409 25.032 1.00 0.00 H new ATOM 0 HE2 TYR A 58 28.203 15.478 23.824 1.00 0.00 H new ATOM 0 HH TYR A 58 29.443 14.248 22.438 1.00 0.00 H new ATOM 833 N TYR A 59 27.790 15.825 31.226 1.00 0.00 N ATOM 834 CA TYR A 59 27.558 15.993 32.681 1.00 0.00 C ATOM 835 C TYR A 59 27.877 14.757 33.481 1.00 0.00 C ATOM 836 O TYR A 59 28.185 14.848 34.668 1.00 0.00 O ATOM 837 CB TYR A 59 26.071 16.126 32.999 1.00 0.00 C ATOM 838 CG TYR A 59 25.732 16.832 34.314 1.00 0.00 C ATOM 839 CD1 TYR A 59 26.166 18.144 34.549 1.00 0.00 C ATOM 840 CD2 TYR A 59 24.989 16.193 35.324 1.00 0.00 C ATOM 841 CE1 TYR A 59 25.829 18.836 35.709 1.00 0.00 C ATOM 842 CE2 TYR A 59 24.712 16.851 36.544 1.00 0.00 C ATOM 843 CZ TYR A 59 25.128 18.186 36.742 1.00 0.00 C ATOM 844 OH TYR A 59 24.861 18.854 37.895 1.00 0.00 O ATOM 0 H TYR A 59 26.990 16.086 30.649 1.00 0.00 H new ATOM 0 HA TYR A 59 28.176 16.856 32.928 1.00 0.00 H new ATOM 0 HB2 TYR A 59 25.591 16.667 32.184 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.633 15.128 33.021 1.00 0.00 H new ATOM 0 HD1 TYR A 59 26.781 18.633 33.808 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.626 15.188 35.165 1.00 0.00 H new ATOM 0 HE1 TYR A 59 26.106 19.874 35.817 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.180 16.331 37.327 1.00 0.00 H new ATOM 0 HH TYR A 59 24.370 18.267 38.507 1.00 0.00 H new ATOM 854 N ASP A 60 27.656 13.596 32.866 1.00 0.00 N ATOM 855 CA ASP A 60 27.392 12.392 33.644 1.00 0.00 C ATOM 856 C ASP A 60 28.612 11.950 34.482 1.00 0.00 C ATOM 857 O ASP A 60 28.508 11.148 35.414 1.00 0.00 O ATOM 858 CB ASP A 60 27.004 11.296 32.658 1.00 0.00 C ATOM 859 CG ASP A 60 26.302 10.098 33.307 1.00 0.00 C ATOM 860 OD1 ASP A 60 25.056 10.152 33.460 1.00 0.00 O ATOM 861 OD2 ASP A 60 26.985 9.099 33.639 1.00 0.00 O ATOM 0 H ASP A 60 27.654 13.466 31.854 1.00 0.00 H new ATOM 0 HA ASP A 60 26.592 12.592 34.357 1.00 0.00 H new ATOM 0 HB2 ASP A 60 26.349 11.720 31.897 1.00 0.00 H new ATOM 0 HB3 ASP A 60 27.901 10.946 32.147 1.00 0.00 H new ATOM 866 N ALA A 61 29.756 12.526 34.106 1.00 0.00 N ATOM 867 CA ALA A 61 31.113 12.297 34.596 1.00 0.00 C ATOM 868 C ALA A 61 31.673 13.500 35.394 1.00 0.00 C ATOM 869 O ALA A 61 32.821 13.481 35.855 1.00 0.00 O ATOM 870 CB ALA A 61 31.961 11.980 33.354 1.00 0.00 C ATOM 0 H ALA A 61 29.752 13.237 33.375 1.00 0.00 H new ATOM 0 HA ALA A 61 31.131 11.472 35.308 1.00 0.00 H new ATOM 0 HB1 ALA A 61 32.993 11.798 33.655 1.00 0.00 H new ATOM 0 HB2 ALA A 61 31.565 11.093 32.860 1.00 0.00 H new ATOM 0 HB3 ALA A 61 31.927 12.824 32.665 1.00 0.00 H new ATOM 876 N LEU A 62 30.886 14.579 35.512 1.00 0.00 N ATOM 877 CA LEU A 62 31.376 15.896 35.965 1.00 0.00 C ATOM 878 C LEU A 62 31.475 16.100 37.498 1.00 0.00 C ATOM 879 O LEU A 62 30.684 15.506 38.239 1.00 0.00 O ATOM 880 CB LEU A 62 30.554 17.028 35.314 1.00 0.00 C ATOM 881 CG LEU A 62 30.772 17.203 33.808 1.00 0.00 C ATOM 882 CD1 LEU A 62 30.215 18.555 33.360 1.00 0.00 C ATOM 883 CD2 LEU A 62 32.222 17.102 33.336 1.00 0.00 C ATOM 0 H LEU A 62 29.889 14.567 35.296 1.00 0.00 H new ATOM 0 HA LEU A 62 32.412 15.931 35.628 1.00 0.00 H new ATOM 0 HB2 LEU A 62 29.496 16.837 35.493 1.00 0.00 H new ATOM 0 HB3 LEU A 62 30.797 17.966 35.813 1.00 0.00 H new ATOM 0 HG LEU A 62 30.245 16.364 33.353 1.00 0.00 H new ATOM 0 HD11 LEU A 62 30.372 18.676 32.288 1.00 0.00 H new ATOM 0 HD12 LEU A 62 29.148 18.599 33.578 1.00 0.00 H new ATOM 0 HD13 LEU A 62 30.728 19.355 33.894 1.00 0.00 H new ATOM 0 HD21 LEU A 62 32.263 17.240 32.256 1.00 0.00 H new ATOM 0 HD22 LEU A 62 32.818 17.873 33.824 1.00 0.00 H new ATOM 0 HD23 LEU A 62 32.620 16.120 33.591 1.00 0.00 H new ATOM 895 N PRO A 63 32.413 16.967 37.961 1.00 0.00 N ATOM 896 CA PRO A 63 32.646 17.303 39.371 1.00 0.00 C ATOM 897 C PRO A 63 31.810 18.488 39.898 1.00 0.00 C ATOM 898 O PRO A 63 31.425 19.391 39.150 1.00 0.00 O ATOM 899 CB PRO A 63 34.136 17.654 39.441 1.00 0.00 C ATOM 900 CG PRO A 63 34.372 18.352 38.103 1.00 0.00 C ATOM 901 CD PRO A 63 33.487 17.548 37.153 1.00 0.00 C ATOM 0 HA PRO A 63 32.349 16.463 39.998 1.00 0.00 H new ATOM 0 HB2 PRO A 63 34.360 18.307 40.285 1.00 0.00 H new ATOM 0 HB3 PRO A 63 34.758 16.766 39.551 1.00 0.00 H new ATOM 0 HG2 PRO A 63 34.083 19.402 38.136 1.00 0.00 H new ATOM 0 HG3 PRO A 63 35.421 18.319 37.807 1.00 0.00 H new ATOM 0 HD2 PRO A 63 33.079 18.188 36.371 1.00 0.00 H new ATOM 0 HD3 PRO A 63 34.063 16.767 36.657 1.00 0.00 H new ATOM 909 N GLU A 64 31.612 18.539 41.220 1.00 0.00 N ATOM 910 CA GLU A 64 30.937 19.632 41.947 1.00 0.00 C ATOM 911 C GLU A 64 31.927 20.668 42.546 1.00 0.00 C ATOM 912 O GLU A 64 33.003 20.280 43.017 1.00 0.00 O ATOM 913 CB GLU A 64 30.075 19.044 43.075 1.00 0.00 C ATOM 914 CG GLU A 64 28.848 18.265 42.580 1.00 0.00 C ATOM 915 CD GLU A 64 28.408 17.224 43.611 1.00 0.00 C ATOM 916 OE1 GLU A 64 28.938 16.086 43.570 1.00 0.00 O ATOM 917 OE2 GLU A 64 27.524 17.496 44.461 1.00 0.00 O ATOM 0 H GLU A 64 31.928 17.794 41.841 1.00 0.00 H new ATOM 0 HA GLU A 64 30.319 20.160 41.221 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.692 18.382 43.683 1.00 0.00 H new ATOM 0 HB3 GLU A 64 29.741 19.854 43.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 28.029 18.956 42.383 1.00 0.00 H new ATOM 0 HG3 GLU A 64 29.082 17.772 41.637 1.00 0.00 H new ATOM 924 N PRO A 65 31.582 21.972 42.593 1.00 0.00 N ATOM 925 CA PRO A 65 32.430 23.053 43.103 1.00 0.00 C ATOM 926 C PRO A 65 32.024 23.518 44.519 1.00 0.00 C ATOM 927 O PRO A 65 31.014 23.081 45.070 1.00 0.00 O ATOM 928 CB PRO A 65 32.224 24.164 42.076 1.00 0.00 C ATOM 929 CG PRO A 65 30.710 24.094 41.898 1.00 0.00 C ATOM 930 CD PRO A 65 30.428 22.590 41.946 1.00 0.00 C ATOM 0 HA PRO A 65 33.469 22.743 43.214 1.00 0.00 H new ATOM 0 HB2 PRO A 65 32.555 25.136 42.443 1.00 0.00 H new ATOM 0 HB3 PRO A 65 32.761 23.975 41.146 1.00 0.00 H new ATOM 0 HG2 PRO A 65 30.185 24.629 42.690 1.00 0.00 H new ATOM 0 HG3 PRO A 65 30.394 24.534 40.952 1.00 0.00 H new ATOM 0 HD2 PRO A 65 29.514 22.384 42.504 1.00 0.00 H new ATOM 0 HD3 PRO A 65 30.286 22.190 40.942 1.00 0.00 H new ATOM 938 N GLU A 66 32.805 24.421 45.112 1.00 0.00 N ATOM 939 CA GLU A 66 32.516 25.099 46.382 1.00 0.00 C ATOM 940 C GLU A 66 31.135 25.780 46.509 1.00 0.00 C ATOM 941 O GLU A 66 30.522 26.189 45.523 1.00 0.00 O ATOM 942 CB GLU A 66 33.615 26.149 46.619 1.00 0.00 C ATOM 943 CG GLU A 66 34.840 25.526 47.286 1.00 0.00 C ATOM 944 CD GLU A 66 35.601 24.512 46.427 1.00 0.00 C ATOM 945 OE1 GLU A 66 36.226 24.918 45.419 1.00 0.00 O ATOM 946 OE2 GLU A 66 35.610 23.305 46.769 1.00 0.00 O ATOM 0 H GLU A 66 33.694 24.714 44.706 1.00 0.00 H new ATOM 0 HA GLU A 66 32.495 24.309 47.133 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.904 26.598 45.669 1.00 0.00 H new ATOM 0 HB3 GLU A 66 33.226 26.952 47.245 1.00 0.00 H new ATOM 0 HG2 GLU A 66 35.525 26.325 47.571 1.00 0.00 H new ATOM 0 HG3 GLU A 66 34.523 25.035 48.206 1.00 0.00 H new ATOM 953 N ASP A 67 30.697 25.982 47.758 1.00 0.00 N ATOM 954 CA ASP A 67 29.411 26.594 48.147 1.00 0.00 C ATOM 955 C ASP A 67 29.210 28.054 47.683 1.00 0.00 C ATOM 956 O ASP A 67 28.080 28.535 47.622 1.00 0.00 O ATOM 957 CB ASP A 67 29.287 26.504 49.677 1.00 0.00 C ATOM 958 CG ASP A 67 27.929 26.976 50.202 1.00 0.00 C ATOM 959 OD1 ASP A 67 26.943 26.199 50.125 1.00 0.00 O ATOM 960 OD2 ASP A 67 27.850 28.104 50.744 1.00 0.00 O ATOM 0 H ASP A 67 31.254 25.711 48.568 1.00 0.00 H new ATOM 0 HA ASP A 67 28.628 26.034 47.636 1.00 0.00 H new ATOM 0 HB2 ASP A 67 29.451 25.472 49.988 1.00 0.00 H new ATOM 0 HB3 ASP A 67 30.074 27.103 50.134 1.00 0.00 H new ATOM 965 N ASP A 68 30.288 28.768 47.351 1.00 0.00 N ATOM 966 CA ASP A 68 30.229 30.087 46.708 1.00 0.00 C ATOM 967 C ASP A 68 30.103 29.978 45.189 1.00 0.00 C ATOM 968 O ASP A 68 29.524 30.859 44.552 1.00 0.00 O ATOM 969 CB ASP A 68 31.479 30.892 47.102 1.00 0.00 C ATOM 970 CG ASP A 68 31.418 32.316 46.548 1.00 0.00 C ATOM 971 OD1 ASP A 68 30.478 33.051 46.935 1.00 0.00 O ATOM 972 OD2 ASP A 68 32.266 32.676 45.691 1.00 0.00 O ATOM 0 H ASP A 68 31.240 28.444 47.523 1.00 0.00 H new ATOM 0 HA ASP A 68 29.335 30.605 47.056 1.00 0.00 H new ATOM 0 HB2 ASP A 68 31.566 30.925 48.188 1.00 0.00 H new ATOM 0 HB3 ASP A 68 32.371 30.391 46.726 1.00 0.00 H new ATOM 977 N GLU A 69 30.635 28.913 44.594 1.00 0.00 N ATOM 978 CA GLU A 69 30.670 28.728 43.142 1.00 0.00 C ATOM 979 C GLU A 69 29.388 28.039 42.624 1.00 0.00 C ATOM 980 O GLU A 69 28.871 28.426 41.580 1.00 0.00 O ATOM 981 CB GLU A 69 31.989 28.020 42.782 1.00 0.00 C ATOM 982 CG GLU A 69 33.215 28.925 43.018 1.00 0.00 C ATOM 983 CD GLU A 69 34.545 28.269 42.621 1.00 0.00 C ATOM 984 OE1 GLU A 69 34.797 27.094 42.975 1.00 0.00 O ATOM 985 OE2 GLU A 69 35.426 28.934 42.026 1.00 0.00 O ATOM 0 H GLU A 69 31.060 28.144 45.112 1.00 0.00 H new ATOM 0 HA GLU A 69 30.666 29.686 42.623 1.00 0.00 H new ATOM 0 HB2 GLU A 69 32.088 27.113 43.379 1.00 0.00 H new ATOM 0 HB3 GLU A 69 31.962 27.712 41.737 1.00 0.00 H new ATOM 0 HG2 GLU A 69 33.090 29.848 42.451 1.00 0.00 H new ATOM 0 HG3 GLU A 69 33.255 29.201 44.072 1.00 0.00 H new ATOM 992 N ASN A 70 28.783 27.110 43.380 1.00 0.00 N ATOM 993 CA ASN A 70 27.456 26.539 43.070 1.00 0.00 C ATOM 994 C ASN A 70 26.260 27.480 43.365 1.00 0.00 C ATOM 995 O ASN A 70 25.179 27.299 42.797 1.00 0.00 O ATOM 996 CB ASN A 70 27.323 25.146 43.721 1.00 0.00 C ATOM 997 CG ASN A 70 27.237 25.114 45.241 1.00 0.00 C ATOM 998 OD1 ASN A 70 26.950 26.094 45.905 1.00 0.00 O ATOM 999 ND2 ASN A 70 27.438 23.962 45.834 1.00 0.00 N ATOM 0 H ASN A 70 29.200 26.729 44.229 1.00 0.00 H new ATOM 0 HA ASN A 70 27.403 26.419 41.988 1.00 0.00 H new ATOM 0 HB2 ASN A 70 26.432 24.664 43.318 1.00 0.00 H new ATOM 0 HB3 ASN A 70 28.177 24.543 43.414 1.00 0.00 H new ATOM 0 HD21 ASN A 70 27.354 23.889 46.848 1.00 0.00 H new ATOM 0 HD22 ASN A 70 27.678 23.139 45.281 1.00 0.00 H new ATOM 1006 N ASP A 71 26.456 28.498 44.206 1.00 0.00 N ATOM 1007 CA ASP A 71 25.481 29.554 44.541 1.00 0.00 C ATOM 1008 C ASP A 71 25.524 30.747 43.574 1.00 0.00 C ATOM 1009 O ASP A 71 24.690 31.638 43.666 1.00 0.00 O ATOM 1010 CB ASP A 71 25.618 30.004 45.998 1.00 0.00 C ATOM 1011 CG ASP A 71 24.348 30.666 46.552 1.00 0.00 C ATOM 1012 OD1 ASP A 71 23.302 29.981 46.631 1.00 0.00 O ATOM 1013 OD2 ASP A 71 24.427 31.829 47.023 1.00 0.00 O ATOM 0 H ASP A 71 27.340 28.620 44.699 1.00 0.00 H new ATOM 0 HA ASP A 71 24.495 29.104 44.420 1.00 0.00 H new ATOM 0 HB2 ASP A 71 25.868 29.141 46.615 1.00 0.00 H new ATOM 0 HB3 ASP A 71 26.449 30.705 46.078 1.00 0.00 H new ATOM 1018 N MET A 72 26.505 30.822 42.667 1.00 0.00 N ATOM 1019 CA MET A 72 26.393 31.702 41.487 1.00 0.00 C ATOM 1020 C MET A 72 25.282 31.220 40.531 1.00 0.00 C ATOM 1021 O MET A 72 24.725 32.002 39.765 1.00 0.00 O ATOM 1022 CB MET A 72 27.758 31.821 40.799 1.00 0.00 C ATOM 1023 CG MET A 72 28.756 32.600 41.667 1.00 0.00 C ATOM 1024 SD MET A 72 28.291 34.319 42.032 1.00 0.00 S ATOM 1025 CE MET A 72 29.821 34.915 42.796 1.00 0.00 C ATOM 0 H MET A 72 27.376 30.294 42.721 1.00 0.00 H new ATOM 0 HA MET A 72 26.097 32.700 41.810 1.00 0.00 H new ATOM 0 HB2 MET A 72 28.152 30.826 40.593 1.00 0.00 H new ATOM 0 HB3 MET A 72 27.641 32.322 39.838 1.00 0.00 H new ATOM 0 HG2 MET A 72 28.885 32.068 42.609 1.00 0.00 H new ATOM 0 HG3 MET A 72 29.724 32.601 41.166 1.00 0.00 H new ATOM 0 HE1 MET A 72 29.703 35.961 43.080 1.00 0.00 H new ATOM 0 HE2 MET A 72 30.040 34.321 43.683 1.00 0.00 H new ATOM 0 HE3 MET A 72 30.642 34.823 42.085 1.00 0.00 H new ATOM 1035 N LEU A 73 24.956 29.925 40.584 1.00 0.00 N ATOM 1036 CA LEU A 73 24.037 29.207 39.707 1.00 0.00 C ATOM 1037 C LEU A 73 22.611 29.202 40.255 1.00 0.00 C ATOM 1038 O LEU A 73 21.715 29.761 39.631 1.00 0.00 O ATOM 1039 CB LEU A 73 24.582 27.786 39.440 1.00 0.00 C ATOM 1040 CG LEU A 73 26.113 27.640 39.430 1.00 0.00 C ATOM 1041 CD1 LEU A 73 26.450 26.160 39.232 1.00 0.00 C ATOM 1042 CD2 LEU A 73 26.742 28.515 38.341 1.00 0.00 C ATOM 0 H LEU A 73 25.358 29.311 41.292 1.00 0.00 H new ATOM 0 HA LEU A 73 23.977 29.730 38.752 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.178 27.115 40.199 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.199 27.447 38.478 1.00 0.00 H new ATOM 0 HG LEU A 73 26.528 27.982 40.378 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.532 26.032 39.221 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.023 25.577 40.048 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.035 25.816 38.285 1.00 0.00 H new ATOM 0 HD21 LEU A 73 27.825 28.393 38.356 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.357 28.216 37.366 1.00 0.00 H new ATOM 0 HD23 LEU A 73 26.492 29.560 38.525 1.00 0.00 H new ATOM 1054 N ASP A 74 22.450 28.626 41.455 1.00 0.00 N ATOM 1055 CA ASP A 74 21.205 28.294 42.171 1.00 0.00 C ATOM 1056 C ASP A 74 20.118 29.380 42.168 1.00 0.00 C ATOM 1057 O ASP A 74 18.927 29.080 42.272 1.00 0.00 O ATOM 1058 CB ASP A 74 21.615 28.044 43.634 1.00 0.00 C ATOM 1059 CG ASP A 74 20.507 27.398 44.460 1.00 0.00 C ATOM 1060 OD1 ASP A 74 20.101 26.252 44.153 1.00 0.00 O ATOM 1061 OD2 ASP A 74 20.011 28.041 45.417 1.00 0.00 O ATOM 0 H ASP A 74 23.266 28.354 42.003 1.00 0.00 H new ATOM 0 HA ASP A 74 20.758 27.442 41.659 1.00 0.00 H new ATOM 0 HB2 ASP A 74 22.497 27.403 43.654 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.898 28.991 44.093 1.00 0.00 H new ATOM 1066 N LEU A 75 20.540 30.638 42.068 1.00 0.00 N ATOM 1067 CA LEU A 75 19.701 31.832 42.080 1.00 0.00 C ATOM 1068 C LEU A 75 18.896 32.004 40.774 1.00 0.00 C ATOM 1069 O LEU A 75 17.858 32.676 40.766 1.00 0.00 O ATOM 1070 CB LEU A 75 20.615 33.040 42.358 1.00 0.00 C ATOM 1071 CG LEU A 75 21.629 32.880 43.514 1.00 0.00 C ATOM 1072 CD1 LEU A 75 22.329 34.216 43.755 1.00 0.00 C ATOM 1073 CD2 LEU A 75 20.999 32.383 44.816 1.00 0.00 C ATOM 0 H LEU A 75 21.530 30.863 41.971 1.00 0.00 H new ATOM 0 HA LEU A 75 18.949 31.742 42.864 1.00 0.00 H new ATOM 0 HB2 LEU A 75 21.168 33.267 41.447 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.985 33.903 42.572 1.00 0.00 H new ATOM 0 HG LEU A 75 22.343 32.115 43.208 1.00 0.00 H new ATOM 0 HD11 LEU A 75 23.046 34.110 44.569 1.00 0.00 H new ATOM 0 HD12 LEU A 75 22.852 34.521 42.849 1.00 0.00 H new ATOM 0 HD13 LEU A 75 21.589 34.972 44.019 1.00 0.00 H new ATOM 0 HD21 LEU A 75 21.769 32.294 45.582 1.00 0.00 H new ATOM 0 HD22 LEU A 75 20.239 33.091 45.146 1.00 0.00 H new ATOM 0 HD23 LEU A 75 20.539 31.409 44.649 1.00 0.00 H new ATOM 1085 N ALA A 76 19.336 31.364 39.683 1.00 0.00 N ATOM 1086 CA ALA A 76 18.556 31.226 38.452 1.00 0.00 C ATOM 1087 C ALA A 76 17.439 30.179 38.646 1.00 0.00 C ATOM 1088 O ALA A 76 17.722 29.023 38.973 1.00 0.00 O ATOM 1089 CB ALA A 76 19.501 30.881 37.295 1.00 0.00 C ATOM 0 H ALA A 76 20.255 30.923 39.632 1.00 0.00 H new ATOM 0 HA ALA A 76 18.062 32.166 38.206 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.926 30.777 36.375 1.00 0.00 H new ATOM 0 HB2 ALA A 76 20.236 31.677 37.176 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.013 29.944 37.511 1.00 0.00 H new ATOM 1095 N TYR A 77 16.169 30.561 38.458 1.00 0.00 N ATOM 1096 CA TYR A 77 15.031 29.742 38.904 1.00 0.00 C ATOM 1097 C TYR A 77 14.960 28.333 38.291 1.00 0.00 C ATOM 1098 O TYR A 77 15.112 28.139 37.080 1.00 0.00 O ATOM 1099 CB TYR A 77 13.703 30.502 38.843 1.00 0.00 C ATOM 1100 CG TYR A 77 12.935 30.227 37.584 1.00 0.00 C ATOM 1101 CD1 TYR A 77 13.221 30.922 36.399 1.00 0.00 C ATOM 1102 CD2 TYR A 77 12.061 29.131 37.581 1.00 0.00 C ATOM 1103 CE1 TYR A 77 12.634 30.495 35.196 1.00 0.00 C ATOM 1104 CE2 TYR A 77 11.503 28.690 36.379 1.00 0.00 C ATOM 1105 CZ TYR A 77 11.772 29.376 35.174 1.00 0.00 C ATOM 1106 OH TYR A 77 11.224 28.956 34.001 1.00 0.00 O ATOM 0 H TYR A 77 15.902 31.432 38.000 1.00 0.00 H new ATOM 0 HA TYR A 77 15.230 29.547 39.958 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.092 30.228 39.703 1.00 0.00 H new ATOM 0 HB3 TYR A 77 13.898 31.572 38.918 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.884 31.774 36.412 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.820 28.629 38.506 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.844 31.027 34.280 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.863 27.820 36.371 1.00 0.00 H new ATOM 0 HH TYR A 77 10.658 28.174 34.166 1.00 0.00 H new ATOM 1116 N GLY A 78 14.674 27.350 39.147 1.00 0.00 N ATOM 1117 CA GLY A 78 14.386 25.980 38.739 1.00 0.00 C ATOM 1118 C GLY A 78 15.604 25.228 38.197 1.00 0.00 C ATOM 1119 O GLY A 78 15.490 24.522 37.193 1.00 0.00 O ATOM 0 H GLY A 78 14.636 27.489 40.157 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.983 25.434 39.592 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.609 25.994 37.974 1.00 0.00 H new ATOM 1123 N LEU A 79 16.772 25.427 38.823 1.00 0.00 N ATOM 1124 CA LEU A 79 18.072 24.975 38.320 1.00 0.00 C ATOM 1125 C LEU A 79 18.120 23.475 37.979 1.00 0.00 C ATOM 1126 O LEU A 79 17.706 22.613 38.758 1.00 0.00 O ATOM 1127 CB LEU A 79 19.192 25.510 39.232 1.00 0.00 C ATOM 1128 CG LEU A 79 20.572 25.246 38.610 1.00 0.00 C ATOM 1129 CD1 LEU A 79 21.546 26.360 38.938 1.00 0.00 C ATOM 1130 CD2 LEU A 79 21.183 23.946 39.111 1.00 0.00 C ATOM 0 H LEU A 79 16.838 25.919 39.714 1.00 0.00 H new ATOM 0 HA LEU A 79 18.249 25.414 37.338 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.058 26.580 39.391 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.131 25.032 40.210 1.00 0.00 H new ATOM 0 HG LEU A 79 20.407 25.187 37.534 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.513 26.143 38.484 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.165 27.303 38.547 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.662 26.435 40.019 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.158 23.799 38.646 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.301 23.993 40.194 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.529 23.113 38.853 1.00 0.00 H new ATOM 1142 N THR A 80 18.622 23.186 36.775 1.00 0.00 N ATOM 1143 CA THR A 80 18.336 21.963 36.016 1.00 0.00 C ATOM 1144 C THR A 80 19.181 20.769 36.463 1.00 0.00 C ATOM 1145 O THR A 80 20.249 20.919 37.060 1.00 0.00 O ATOM 1146 CB THR A 80 18.563 22.196 34.503 1.00 0.00 C ATOM 1147 OG1 THR A 80 18.612 23.564 34.162 1.00 0.00 O ATOM 1148 CG2 THR A 80 17.486 21.558 33.630 1.00 0.00 C ATOM 0 H THR A 80 19.258 23.815 36.286 1.00 0.00 H new ATOM 0 HA THR A 80 17.291 21.725 36.213 1.00 0.00 H new ATOM 0 HB THR A 80 19.526 21.724 34.310 1.00 0.00 H new ATOM 0 HG1 THR A 80 18.759 23.656 33.197 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.703 21.758 32.581 1.00 0.00 H new ATOM 0 HG22 THR A 80 17.471 20.481 33.799 1.00 0.00 H new ATOM 0 HG23 THR A 80 16.514 21.979 33.886 1.00 0.00 H new ATOM 1156 N GLU A 81 18.753 19.560 36.091 1.00 0.00 N ATOM 1157 CA GLU A 81 19.467 18.304 36.381 1.00 0.00 C ATOM 1158 C GLU A 81 20.855 18.198 35.705 1.00 0.00 C ATOM 1159 O GLU A 81 21.612 17.289 36.044 1.00 0.00 O ATOM 1160 CB GLU A 81 18.593 17.094 35.990 1.00 0.00 C ATOM 1161 CG GLU A 81 17.209 17.018 36.663 1.00 0.00 C ATOM 1162 CD GLU A 81 17.223 16.881 38.196 1.00 0.00 C ATOM 1163 OE1 GLU A 81 18.213 16.378 38.785 1.00 0.00 O ATOM 1164 OE2 GLU A 81 16.225 17.281 38.842 1.00 0.00 O ATOM 0 H GLU A 81 17.887 19.419 35.571 1.00 0.00 H new ATOM 0 HA GLU A 81 19.653 18.304 37.455 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.450 17.108 34.910 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.141 16.182 36.227 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.648 17.915 36.401 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.667 16.169 36.245 1.00 0.00 H new ATOM 1171 N THR A 82 21.219 19.102 34.779 1.00 0.00 N ATOM 1172 CA THR A 82 22.582 19.219 34.223 1.00 0.00 C ATOM 1173 C THR A 82 23.137 20.656 34.227 1.00 0.00 C ATOM 1174 O THR A 82 24.041 20.995 33.456 1.00 0.00 O ATOM 1175 CB THR A 82 22.694 18.604 32.824 1.00 0.00 C ATOM 1176 OG1 THR A 82 21.822 19.225 31.906 1.00 0.00 O ATOM 1177 CG2 THR A 82 22.374 17.113 32.762 1.00 0.00 C ATOM 0 H THR A 82 20.567 19.782 34.389 1.00 0.00 H new ATOM 0 HA THR A 82 23.207 18.642 34.904 1.00 0.00 H new ATOM 0 HB THR A 82 23.741 18.761 32.567 1.00 0.00 H new ATOM 0 HG1 THR A 82 22.233 19.230 31.016 1.00 0.00 H new ATOM 0 HG21 THR A 82 22.478 16.761 31.736 1.00 0.00 H new ATOM 0 HG22 THR A 82 23.063 16.566 33.405 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.352 16.946 33.101 1.00 0.00 H new ATOM 1185 N SER A 83 22.600 21.551 35.060 1.00 0.00 N ATOM 1186 CA SER A 83 23.073 22.942 35.119 1.00 0.00 C ATOM 1187 C SER A 83 24.441 23.073 35.803 1.00 0.00 C ATOM 1188 O SER A 83 24.834 22.225 36.608 1.00 0.00 O ATOM 1189 CB SER A 83 21.993 23.852 35.679 1.00 0.00 C ATOM 1190 OG SER A 83 22.507 25.154 35.844 1.00 0.00 O ATOM 0 H SER A 83 21.837 21.340 35.704 1.00 0.00 H new ATOM 0 HA SER A 83 23.259 23.286 34.102 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.136 23.872 35.006 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.639 23.467 36.635 1.00 0.00 H new ATOM 0 HG SER A 83 21.767 25.794 35.890 1.00 0.00 H new ATOM 1196 N ARG A 84 25.242 24.063 35.385 1.00 0.00 N ATOM 1197 CA ARG A 84 26.695 24.140 35.585 1.00 0.00 C ATOM 1198 C ARG A 84 27.188 25.575 35.770 1.00 0.00 C ATOM 1199 O ARG A 84 26.617 26.534 35.258 1.00 0.00 O ATOM 1200 CB ARG A 84 27.394 23.484 34.370 1.00 0.00 C ATOM 1201 CG ARG A 84 27.387 21.953 34.400 1.00 0.00 C ATOM 1202 CD ARG A 84 28.494 21.231 35.196 1.00 0.00 C ATOM 1203 NE ARG A 84 28.899 21.784 36.505 1.00 0.00 N ATOM 1204 CZ ARG A 84 28.337 21.588 37.687 1.00 0.00 C ATOM 1205 NH1 ARG A 84 27.089 21.308 37.906 1.00 0.00 N ATOM 1206 NH2 ARG A 84 29.069 21.686 38.747 1.00 0.00 N ATOM 0 H ARG A 84 24.878 24.868 34.875 1.00 0.00 H new ATOM 0 HA ARG A 84 26.942 23.609 36.504 1.00 0.00 H new ATOM 0 HB2 ARG A 84 26.905 23.822 33.456 1.00 0.00 H new ATOM 0 HB3 ARG A 84 28.426 23.832 34.326 1.00 0.00 H new ATOM 0 HG2 ARG A 84 26.426 21.633 34.802 1.00 0.00 H new ATOM 0 HG3 ARG A 84 27.435 21.600 33.370 1.00 0.00 H new ATOM 0 HD2 ARG A 84 28.169 20.203 35.357 1.00 0.00 H new ATOM 0 HD3 ARG A 84 29.382 21.189 34.565 1.00 0.00 H new ATOM 0 HE ARG A 84 29.716 22.395 36.497 1.00 0.00 H new ATOM 0 HH11 ARG A 84 26.441 21.220 37.123 1.00 0.00 H new ATOM 0 HH12 ARG A 84 26.756 21.175 38.861 1.00 0.00 H new ATOM 0 HH21 ARG A 84 30.060 21.911 38.663 1.00 0.00 H new ATOM 0 HH22 ARG A 84 28.656 21.539 39.668 1.00 0.00 H new ATOM 1220 N LEU A 85 28.333 25.695 36.432 1.00 0.00 N ATOM 1221 CA LEU A 85 29.218 26.851 36.306 1.00 0.00 C ATOM 1222 C LEU A 85 30.175 26.645 35.133 1.00 0.00 C ATOM 1223 O LEU A 85 30.561 25.512 34.853 1.00 0.00 O ATOM 1224 CB LEU A 85 29.937 27.126 37.632 1.00 0.00 C ATOM 1225 CG LEU A 85 31.073 26.192 38.072 1.00 0.00 C ATOM 1226 CD1 LEU A 85 31.490 26.670 39.458 1.00 0.00 C ATOM 1227 CD2 LEU A 85 30.661 24.721 38.171 1.00 0.00 C ATOM 0 H LEU A 85 28.678 24.986 37.079 1.00 0.00 H new ATOM 0 HA LEU A 85 28.632 27.744 36.087 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.343 28.136 37.583 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.185 27.123 38.421 1.00 0.00 H new ATOM 0 HG LEU A 85 31.869 26.234 37.328 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.300 26.043 39.831 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.829 27.704 39.399 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.639 26.605 40.137 1.00 0.00 H new ATOM 0 HD21 LEU A 85 31.516 24.124 38.487 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.857 24.617 38.899 1.00 0.00 H new ATOM 0 HD23 LEU A 85 30.316 24.373 37.197 1.00 0.00 H new ATOM 1239 N GLY A 86 30.543 27.717 34.440 1.00 0.00 N ATOM 1240 CA GLY A 86 31.411 27.680 33.263 1.00 0.00 C ATOM 1241 C GLY A 86 32.877 28.008 33.550 1.00 0.00 C ATOM 1242 O GLY A 86 33.624 28.234 32.598 1.00 0.00 O ATOM 0 H GLY A 86 30.240 28.660 34.685 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.354 26.688 32.815 1.00 0.00 H new ATOM 0 HA3 GLY A 86 31.031 28.385 32.524 1.00 0.00 H new ATOM 1246 N CYS A 87 33.256 28.045 34.831 1.00 0.00 N ATOM 1247 CA CYS A 87 34.596 28.270 35.368 1.00 0.00 C ATOM 1248 C CYS A 87 35.255 26.973 35.869 1.00 0.00 C ATOM 1249 O CYS A 87 36.308 26.560 35.389 1.00 0.00 O ATOM 1250 CB CYS A 87 34.443 29.260 36.516 1.00 0.00 C ATOM 1251 SG CYS A 87 32.889 29.150 37.430 1.00 0.00 S ATOM 0 H CYS A 87 32.575 27.907 35.578 1.00 0.00 H new ATOM 0 HA CYS A 87 35.247 28.653 34.582 1.00 0.00 H new ATOM 0 HB2 CYS A 87 35.267 29.112 37.214 1.00 0.00 H new ATOM 0 HB3 CYS A 87 34.540 30.270 36.118 1.00 0.00 H new ATOM 1256 N GLN A 88 34.606 26.281 36.809 1.00 0.00 N ATOM 1257 CA GLN A 88 35.042 24.978 37.347 1.00 0.00 C ATOM 1258 C GLN A 88 34.606 23.782 36.472 1.00 0.00 C ATOM 1259 O GLN A 88 34.241 22.715 36.974 1.00 0.00 O ATOM 1260 CB GLN A 88 34.699 24.820 38.837 1.00 0.00 C ATOM 1261 CG GLN A 88 35.137 25.984 39.750 1.00 0.00 C ATOM 1262 CD GLN A 88 36.645 26.076 39.996 1.00 0.00 C ATOM 1263 OE1 GLN A 88 37.473 25.547 39.263 1.00 0.00 O ATOM 1264 NE2 GLN A 88 37.074 26.745 41.039 1.00 0.00 N ATOM 0 H GLN A 88 33.740 26.615 37.232 1.00 0.00 H new ATOM 0 HA GLN A 88 36.131 24.970 37.295 1.00 0.00 H new ATOM 0 HB2 GLN A 88 33.620 24.694 38.932 1.00 0.00 H new ATOM 0 HB3 GLN A 88 35.160 23.902 39.202 1.00 0.00 H new ATOM 0 HG2 GLN A 88 34.798 26.921 39.308 1.00 0.00 H new ATOM 0 HG3 GLN A 88 34.632 25.883 40.711 1.00 0.00 H new ATOM 0 HE21 GLN A 88 36.407 27.195 41.666 1.00 0.00 H new ATOM 0 HE22 GLN A 88 38.075 26.815 41.224 1.00 0.00 H new ATOM 1273 N ILE A 89 34.565 23.998 35.154 1.00 0.00 N ATOM 1274 CA ILE A 89 34.654 22.950 34.135 1.00 0.00 C ATOM 1275 C ILE A 89 35.383 23.498 32.897 1.00 0.00 C ATOM 1276 O ILE A 89 35.172 24.640 32.480 1.00 0.00 O ATOM 1277 CB ILE A 89 33.275 22.324 33.808 1.00 0.00 C ATOM 1278 CG1 ILE A 89 33.376 21.122 32.842 1.00 0.00 C ATOM 1279 CG2 ILE A 89 32.305 23.351 33.206 1.00 0.00 C ATOM 1280 CD1 ILE A 89 34.297 19.997 33.333 1.00 0.00 C ATOM 0 H ILE A 89 34.466 24.932 34.756 1.00 0.00 H new ATOM 0 HA ILE A 89 35.244 22.124 34.531 1.00 0.00 H new ATOM 0 HB ILE A 89 32.890 21.973 34.766 1.00 0.00 H new ATOM 0 HG12 ILE A 89 32.378 20.715 32.681 1.00 0.00 H new ATOM 0 HG13 ILE A 89 33.736 21.476 31.876 1.00 0.00 H new ATOM 0 HG21 ILE A 89 31.351 22.869 32.992 1.00 0.00 H new ATOM 0 HG22 ILE A 89 32.150 24.164 33.915 1.00 0.00 H new ATOM 0 HG23 ILE A 89 32.725 23.750 32.283 1.00 0.00 H new ATOM 0 HD11 ILE A 89 34.312 19.192 32.598 1.00 0.00 H new ATOM 0 HD12 ILE A 89 35.307 20.386 33.467 1.00 0.00 H new ATOM 0 HD13 ILE A 89 33.927 19.613 34.284 1.00 0.00 H new ATOM 1292 N LYS A 90 36.256 22.675 32.315 1.00 0.00 N ATOM 1293 CA LYS A 90 37.148 22.974 31.197 1.00 0.00 C ATOM 1294 C LYS A 90 37.226 21.801 30.223 1.00 0.00 C ATOM 1295 O LYS A 90 36.699 20.722 30.482 1.00 0.00 O ATOM 1296 CB LYS A 90 38.543 23.338 31.739 1.00 0.00 C ATOM 1297 CG LYS A 90 39.046 22.589 32.985 1.00 0.00 C ATOM 1298 CD LYS A 90 39.403 21.120 32.692 1.00 0.00 C ATOM 1299 CE LYS A 90 40.181 20.510 33.862 1.00 0.00 C ATOM 1300 NZ LYS A 90 40.692 19.159 33.544 1.00 0.00 N ATOM 0 H LYS A 90 36.365 21.713 32.637 1.00 0.00 H new ATOM 0 HA LYS A 90 36.748 23.824 30.644 1.00 0.00 H new ATOM 0 HB2 LYS A 90 39.265 23.179 30.938 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.547 24.404 31.965 1.00 0.00 H new ATOM 0 HG2 LYS A 90 39.924 23.100 33.381 1.00 0.00 H new ATOM 0 HG3 LYS A 90 38.280 22.625 33.759 1.00 0.00 H new ATOM 0 HD2 LYS A 90 38.493 20.547 32.516 1.00 0.00 H new ATOM 0 HD3 LYS A 90 39.999 21.060 31.781 1.00 0.00 H new ATOM 0 HE2 LYS A 90 41.016 21.161 34.121 1.00 0.00 H new ATOM 0 HE3 LYS A 90 39.535 20.456 34.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 41.212 18.783 34.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 39.894 18.530 33.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 41.329 19.213 32.724 1.00 0.00 H new ATOM 1314 N MET A 91 37.909 22.008 29.102 1.00 0.00 N ATOM 1315 CA MET A 91 38.172 20.956 28.126 1.00 0.00 C ATOM 1316 C MET A 91 39.099 19.852 28.688 1.00 0.00 C ATOM 1317 O MET A 91 40.091 20.156 29.344 1.00 0.00 O ATOM 1318 CB MET A 91 38.714 21.582 26.832 1.00 0.00 C ATOM 1319 CG MET A 91 37.770 22.575 26.145 1.00 0.00 C ATOM 1320 SD MET A 91 36.185 21.931 25.549 1.00 0.00 S ATOM 1321 CE MET A 91 35.135 22.363 26.947 1.00 0.00 C ATOM 0 H MET A 91 38.298 22.915 28.843 1.00 0.00 H new ATOM 0 HA MET A 91 37.234 20.451 27.895 1.00 0.00 H new ATOM 0 HB2 MET A 91 39.651 22.092 27.058 1.00 0.00 H new ATOM 0 HB3 MET A 91 38.948 20.782 26.130 1.00 0.00 H new ATOM 0 HG2 MET A 91 37.564 23.385 26.845 1.00 0.00 H new ATOM 0 HG3 MET A 91 38.298 23.012 25.297 1.00 0.00 H new ATOM 0 HE1 MET A 91 34.100 22.442 26.614 1.00 0.00 H new ATOM 0 HE2 MET A 91 35.212 21.590 27.712 1.00 0.00 H new ATOM 0 HE3 MET A 91 35.457 23.318 27.362 1.00 0.00 H new ATOM 1331 N SER A 92 38.786 18.582 28.413 1.00 0.00 N ATOM 1332 CA SER A 92 39.485 17.356 28.864 1.00 0.00 C ATOM 1333 C SER A 92 39.336 16.232 27.817 1.00 0.00 C ATOM 1334 O SER A 92 38.690 16.433 26.790 1.00 0.00 O ATOM 1335 CB SER A 92 38.927 16.903 30.221 1.00 0.00 C ATOM 1336 OG SER A 92 37.712 16.193 30.081 1.00 0.00 O ATOM 0 H SER A 92 37.981 18.358 27.828 1.00 0.00 H new ATOM 0 HA SER A 92 40.546 17.579 28.977 1.00 0.00 H new ATOM 0 HB2 SER A 92 39.661 16.272 30.723 1.00 0.00 H new ATOM 0 HB3 SER A 92 38.767 17.774 30.857 1.00 0.00 H new ATOM 0 HG SER A 92 37.389 15.920 30.965 1.00 0.00 H new ATOM 1342 N LYS A 93 39.888 15.029 28.029 1.00 0.00 N ATOM 1343 CA LYS A 93 39.712 13.908 27.094 1.00 0.00 C ATOM 1344 C LYS A 93 38.354 13.184 27.172 1.00 0.00 C ATOM 1345 O LYS A 93 37.958 12.554 26.193 1.00 0.00 O ATOM 1346 CB LYS A 93 40.906 12.971 27.292 1.00 0.00 C ATOM 1347 CG LYS A 93 41.100 11.955 26.167 1.00 0.00 C ATOM 1348 CD LYS A 93 41.064 12.556 24.747 1.00 0.00 C ATOM 1349 CE LYS A 93 41.656 11.559 23.756 1.00 0.00 C ATOM 1350 NZ LYS A 93 41.612 12.035 22.357 1.00 0.00 N ATOM 0 H LYS A 93 40.462 14.807 28.842 1.00 0.00 H new ATOM 0 HA LYS A 93 39.689 14.305 26.079 1.00 0.00 H new ATOM 0 HB2 LYS A 93 41.812 13.570 27.385 1.00 0.00 H new ATOM 0 HB3 LYS A 93 40.780 12.435 28.233 1.00 0.00 H new ATOM 0 HG2 LYS A 93 42.056 11.452 26.310 1.00 0.00 H new ATOM 0 HG3 LYS A 93 40.324 11.193 26.245 1.00 0.00 H new ATOM 0 HD2 LYS A 93 40.038 12.796 24.468 1.00 0.00 H new ATOM 0 HD3 LYS A 93 41.628 13.489 24.721 1.00 0.00 H new ATOM 0 HE2 LYS A 93 42.691 11.353 24.031 1.00 0.00 H new ATOM 0 HE3 LYS A 93 41.113 10.617 23.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 42.028 11.315 21.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 40.624 12.206 22.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 42.153 12.919 22.274 1.00 0.00 H new ATOM 1364 N ASP A 94 37.605 13.299 28.273 1.00 0.00 N ATOM 1365 CA ASP A 94 36.284 12.651 28.443 1.00 0.00 C ATOM 1366 C ASP A 94 35.194 13.251 27.529 1.00 0.00 C ATOM 1367 O ASP A 94 34.241 12.579 27.123 1.00 0.00 O ATOM 1368 CB ASP A 94 35.795 12.841 29.888 1.00 0.00 C ATOM 1369 CG ASP A 94 36.704 12.215 30.951 1.00 0.00 C ATOM 1370 OD1 ASP A 94 37.655 12.912 31.376 1.00 0.00 O ATOM 1371 OD2 ASP A 94 36.463 11.069 31.401 1.00 0.00 O ATOM 0 H ASP A 94 37.894 13.847 29.083 1.00 0.00 H new ATOM 0 HA ASP A 94 36.430 11.602 28.185 1.00 0.00 H new ATOM 0 HB2 ASP A 94 35.702 13.908 30.090 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.798 12.411 29.981 1.00 0.00 H new ATOM 1376 N ILE A 95 35.344 14.537 27.222 1.00 0.00 N ATOM 1377 CA ILE A 95 34.324 15.483 26.744 1.00 0.00 C ATOM 1378 C ILE A 95 34.343 15.674 25.231 1.00 0.00 C ATOM 1379 O ILE A 95 33.859 16.691 24.752 1.00 0.00 O ATOM 1380 CB ILE A 95 34.541 16.837 27.447 1.00 0.00 C ATOM 1381 CG1 ILE A 95 35.905 17.401 27.014 1.00 0.00 C ATOM 1382 CG2 ILE A 95 34.389 16.750 28.974 1.00 0.00 C ATOM 1383 CD1 ILE A 95 35.836 18.837 26.538 1.00 0.00 C ATOM 0 H ILE A 95 36.255 14.987 27.306 1.00 0.00 H new ATOM 0 HA ILE A 95 33.347 15.066 26.987 1.00 0.00 H new ATOM 0 HB ILE A 95 33.756 17.527 27.137 1.00 0.00 H new ATOM 0 HG12 ILE A 95 36.600 17.336 27.852 1.00 0.00 H new ATOM 0 HG13 ILE A 95 36.310 16.780 26.215 1.00 0.00 H new ATOM 0 HG21 ILE A 95 34.553 17.734 29.413 1.00 0.00 H new ATOM 0 HG22 ILE A 95 33.385 16.406 29.221 1.00 0.00 H new ATOM 0 HG23 ILE A 95 35.121 16.048 29.373 1.00 0.00 H new ATOM 0 HD11 ILE A 95 36.832 19.172 26.248 1.00 0.00 H new ATOM 0 HD12 ILE A 95 35.166 18.904 25.681 1.00 0.00 H new ATOM 0 HD13 ILE A 95 35.460 19.469 27.342 1.00 0.00 H new ATOM 1395 N ASP A 96 34.997 14.794 24.478 1.00 0.00 N ATOM 1396 CA ASP A 96 35.326 15.050 23.078 1.00 0.00 C ATOM 1397 C ASP A 96 34.065 15.091 22.189 1.00 0.00 C ATOM 1398 O ASP A 96 33.659 14.104 21.571 1.00 0.00 O ATOM 1399 CB ASP A 96 36.392 14.048 22.629 1.00 0.00 C ATOM 1400 CG ASP A 96 36.744 14.210 21.149 1.00 0.00 C ATOM 1401 OD1 ASP A 96 36.635 15.334 20.604 1.00 0.00 O ATOM 1402 OD2 ASP A 96 37.083 13.199 20.490 1.00 0.00 O ATOM 0 H ASP A 96 35.313 13.886 24.819 1.00 0.00 H new ATOM 0 HA ASP A 96 35.755 16.046 22.968 1.00 0.00 H new ATOM 0 HB2 ASP A 96 37.290 14.180 23.232 1.00 0.00 H new ATOM 0 HB3 ASP A 96 36.034 13.034 22.808 1.00 0.00 H new ATOM 1407 N GLY A 97 33.470 16.282 22.130 1.00 0.00 N ATOM 1408 CA GLY A 97 32.150 16.564 21.529 1.00 0.00 C ATOM 1409 C GLY A 97 31.105 17.261 22.421 1.00 0.00 C ATOM 1410 O GLY A 97 29.972 17.447 21.980 1.00 0.00 O ATOM 0 H GLY A 97 33.908 17.119 22.515 1.00 0.00 H new ATOM 0 HA2 GLY A 97 32.306 17.183 20.645 1.00 0.00 H new ATOM 0 HA3 GLY A 97 31.726 15.620 21.186 1.00 0.00 H new ATOM 1414 N ILE A 98 31.467 17.677 23.638 1.00 0.00 N ATOM 1415 CA ILE A 98 30.629 18.361 24.640 1.00 0.00 C ATOM 1416 C ILE A 98 29.790 19.549 24.143 1.00 0.00 C ATOM 1417 O ILE A 98 30.286 20.444 23.464 1.00 0.00 O ATOM 1418 CB ILE A 98 31.541 18.729 25.829 1.00 0.00 C ATOM 1419 CG1 ILE A 98 30.843 19.085 27.153 1.00 0.00 C ATOM 1420 CG2 ILE A 98 32.622 19.762 25.469 1.00 0.00 C ATOM 1421 CD1 ILE A 98 30.552 20.573 27.389 1.00 0.00 C ATOM 0 H ILE A 98 32.419 17.537 23.977 1.00 0.00 H new ATOM 0 HA ILE A 98 29.846 17.663 24.936 1.00 0.00 H new ATOM 0 HB ILE A 98 32.031 17.777 26.035 1.00 0.00 H new ATOM 0 HG12 ILE A 98 29.900 18.540 27.200 1.00 0.00 H new ATOM 0 HG13 ILE A 98 31.462 18.723 27.974 1.00 0.00 H new ATOM 0 HG21 ILE A 98 33.228 19.976 26.349 1.00 0.00 H new ATOM 0 HG22 ILE A 98 33.258 19.363 24.679 1.00 0.00 H new ATOM 0 HG23 ILE A 98 32.147 20.680 25.123 1.00 0.00 H new ATOM 0 HD11 ILE A 98 30.059 20.699 28.353 1.00 0.00 H new ATOM 0 HD12 ILE A 98 31.488 21.132 27.384 1.00 0.00 H new ATOM 0 HD13 ILE A 98 29.902 20.947 26.598 1.00 0.00 H new ATOM 1433 N ARG A 99 28.517 19.595 24.562 1.00 0.00 N ATOM 1434 CA ARG A 99 27.613 20.751 24.418 1.00 0.00 C ATOM 1435 C ARG A 99 27.384 21.450 25.739 1.00 0.00 C ATOM 1436 O ARG A 99 27.325 20.800 26.786 1.00 0.00 O ATOM 1437 CB ARG A 99 26.200 20.292 23.983 1.00 0.00 C ATOM 1438 CG ARG A 99 25.446 21.235 23.033 1.00 0.00 C ATOM 1439 CD ARG A 99 23.940 20.930 23.007 1.00 0.00 C ATOM 1440 NE ARG A 99 23.625 19.677 22.296 1.00 0.00 N ATOM 1441 CZ ARG A 99 22.440 19.099 22.249 1.00 0.00 C ATOM 1442 NH1 ARG A 99 21.475 19.415 23.055 1.00 0.00 N ATOM 1443 NH2 ARG A 99 22.164 18.172 21.380 1.00 0.00 N ATOM 0 H ARG A 99 28.071 18.804 25.026 1.00 0.00 H new ATOM 0 HA ARG A 99 28.090 21.405 23.688 1.00 0.00 H new ATOM 0 HB2 ARG A 99 26.289 19.318 23.501 1.00 0.00 H new ATOM 0 HB3 ARG A 99 25.594 20.151 24.878 1.00 0.00 H new ATOM 0 HG2 ARG A 99 25.603 22.268 23.345 1.00 0.00 H new ATOM 0 HG3 ARG A 99 25.854 21.140 22.027 1.00 0.00 H new ATOM 0 HD2 ARG A 99 23.569 20.866 24.030 1.00 0.00 H new ATOM 0 HD3 ARG A 99 23.414 21.756 22.529 1.00 0.00 H new ATOM 0 HE ARG A 99 24.388 19.218 21.798 1.00 0.00 H new ATOM 0 HH11 ARG A 99 21.616 20.137 23.761 1.00 0.00 H new ATOM 0 HH12 ARG A 99 20.574 18.942 22.983 1.00 0.00 H new ATOM 0 HH21 ARG A 99 22.873 17.873 20.710 1.00 0.00 H new ATOM 0 HH22 ARG A 99 21.238 17.743 21.368 1.00 0.00 H new ATOM 1457 N VAL A 100 27.066 22.730 25.634 1.00 0.00 N ATOM 1458 CA VAL A 100 26.359 23.476 26.663 1.00 0.00 C ATOM 1459 C VAL A 100 25.402 24.512 26.073 1.00 0.00 C ATOM 1460 O VAL A 100 25.604 24.983 24.951 1.00 0.00 O ATOM 1461 CB VAL A 100 27.369 24.237 27.564 1.00 0.00 C ATOM 1462 CG1 VAL A 100 28.132 23.341 28.555 1.00 0.00 C ATOM 1463 CG2 VAL A 100 28.395 25.038 26.742 1.00 0.00 C ATOM 0 H VAL A 100 27.297 23.291 24.814 1.00 0.00 H new ATOM 0 HA VAL A 100 25.789 22.745 27.236 1.00 0.00 H new ATOM 0 HB VAL A 100 26.740 24.915 28.141 1.00 0.00 H new ATOM 0 HG11 VAL A 100 28.816 23.951 29.145 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.423 22.846 29.218 1.00 0.00 H new ATOM 0 HG13 VAL A 100 28.699 22.590 28.005 1.00 0.00 H new ATOM 0 HG21 VAL A 100 29.079 25.553 27.416 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.958 24.359 26.102 1.00 0.00 H new ATOM 0 HG23 VAL A 100 27.875 25.770 26.125 1.00 0.00 H new ATOM 1473 N ALA A 101 24.424 24.971 26.857 1.00 0.00 N ATOM 1474 CA ALA A 101 23.721 26.218 26.552 1.00 0.00 C ATOM 1475 C ALA A 101 24.425 27.433 27.214 1.00 0.00 C ATOM 1476 O ALA A 101 24.756 27.397 28.400 1.00 0.00 O ATOM 1477 CB ALA A 101 22.250 26.050 26.916 1.00 0.00 C ATOM 0 H ALA A 101 24.103 24.501 27.703 1.00 0.00 H new ATOM 0 HA ALA A 101 23.759 26.437 25.485 1.00 0.00 H new ATOM 0 HB1 ALA A 101 21.713 26.972 26.694 1.00 0.00 H new ATOM 0 HB2 ALA A 101 21.823 25.232 26.336 1.00 0.00 H new ATOM 0 HB3 ALA A 101 22.162 25.825 27.979 1.00 0.00 H new ATOM 1483 N LEU A 102 24.703 28.488 26.439 1.00 0.00 N ATOM 1484 CA LEU A 102 25.907 29.347 26.532 1.00 0.00 C ATOM 1485 C LEU A 102 26.084 30.182 27.844 1.00 0.00 C ATOM 1486 O LEU A 102 25.086 30.653 28.400 1.00 0.00 O ATOM 1487 CB LEU A 102 25.876 30.189 25.235 1.00 0.00 C ATOM 1488 CG LEU A 102 27.120 30.919 24.704 1.00 0.00 C ATOM 1489 CD1 LEU A 102 26.828 31.365 23.272 1.00 0.00 C ATOM 1490 CD2 LEU A 102 27.490 32.185 25.456 1.00 0.00 C ATOM 0 H LEU A 102 24.072 28.786 25.695 1.00 0.00 H new ATOM 0 HA LEU A 102 26.801 28.728 26.610 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.538 29.526 24.439 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.103 30.945 25.370 1.00 0.00 H new ATOM 0 HG LEU A 102 27.943 30.212 24.809 1.00 0.00 H new ATOM 0 HD11 LEU A 102 27.696 31.887 22.869 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.612 30.492 22.656 1.00 0.00 H new ATOM 0 HD13 LEU A 102 25.968 32.034 23.268 1.00 0.00 H new ATOM 0 HD21 LEU A 102 28.379 32.628 25.008 1.00 0.00 H new ATOM 0 HD22 LEU A 102 26.665 32.895 25.402 1.00 0.00 H new ATOM 0 HD23 LEU A 102 27.692 31.943 26.499 1.00 0.00 H new ATOM 1502 N PRO A 103 27.336 30.367 28.343 1.00 0.00 N ATOM 1503 CA PRO A 103 27.722 31.123 29.561 1.00 0.00 C ATOM 1504 C PRO A 103 27.732 32.670 29.450 1.00 0.00 C ATOM 1505 O PRO A 103 27.397 33.255 28.424 1.00 0.00 O ATOM 1506 CB PRO A 103 29.145 30.645 29.880 1.00 0.00 C ATOM 1507 CG PRO A 103 29.719 30.443 28.489 1.00 0.00 C ATOM 1508 CD PRO A 103 28.550 29.754 27.797 1.00 0.00 C ATOM 0 HA PRO A 103 26.970 30.926 30.325 1.00 0.00 H new ATOM 0 HB2 PRO A 103 29.707 31.384 30.452 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.147 29.723 30.462 1.00 0.00 H new ATOM 0 HG2 PRO A 103 29.985 31.386 28.011 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.617 29.825 28.498 1.00 0.00 H new ATOM 0 HD2 PRO A 103 28.602 29.889 26.717 1.00 0.00 H new ATOM 0 HD3 PRO A 103 28.563 28.681 27.986 1.00 0.00 H new ATOM 1516 N GLN A 104 28.132 33.341 30.536 1.00 0.00 N ATOM 1517 CA GLN A 104 28.380 34.789 30.641 1.00 0.00 C ATOM 1518 C GLN A 104 29.826 35.230 30.251 1.00 0.00 C ATOM 1519 O GLN A 104 30.590 34.457 29.681 1.00 0.00 O ATOM 1520 CB GLN A 104 28.023 35.193 32.079 1.00 0.00 C ATOM 1521 CG GLN A 104 26.549 34.930 32.454 1.00 0.00 C ATOM 1522 CD GLN A 104 26.250 35.379 33.876 1.00 0.00 C ATOM 1523 OE1 GLN A 104 27.085 35.957 34.551 1.00 0.00 O ATOM 1524 NE2 GLN A 104 25.064 35.159 34.384 1.00 0.00 N ATOM 0 H GLN A 104 28.302 32.862 31.420 1.00 0.00 H new ATOM 0 HA GLN A 104 27.757 35.308 29.912 1.00 0.00 H new ATOM 0 HB2 GLN A 104 28.666 34.648 32.770 1.00 0.00 H new ATOM 0 HB3 GLN A 104 28.238 36.253 32.212 1.00 0.00 H new ATOM 0 HG2 GLN A 104 25.895 35.457 31.759 1.00 0.00 H new ATOM 0 HG3 GLN A 104 26.330 33.867 32.353 1.00 0.00 H new ATOM 0 HE21 GLN A 104 24.354 34.677 33.832 1.00 0.00 H new ATOM 0 HE22 GLN A 104 24.849 35.470 35.332 1.00 0.00 H new ATOM 1533 N MET A 105 30.196 36.498 30.515 1.00 0.00 N ATOM 1534 CA MET A 105 31.464 37.150 30.102 1.00 0.00 C ATOM 1535 C MET A 105 32.645 36.964 31.078 1.00 0.00 C ATOM 1536 O MET A 105 32.448 36.850 32.284 1.00 0.00 O ATOM 1537 CB MET A 105 31.210 38.648 29.870 1.00 0.00 C ATOM 1538 CG MET A 105 30.376 38.901 28.610 1.00 0.00 C ATOM 1539 SD MET A 105 29.787 40.608 28.442 1.00 0.00 S ATOM 1540 CE MET A 105 31.331 41.453 28.002 1.00 0.00 C ATOM 0 H MET A 105 29.595 37.128 31.046 1.00 0.00 H new ATOM 0 HA MET A 105 31.771 36.649 29.184 1.00 0.00 H new ATOM 0 HB2 MET A 105 30.696 39.067 30.735 1.00 0.00 H new ATOM 0 HB3 MET A 105 32.164 39.168 29.784 1.00 0.00 H new ATOM 0 HG2 MET A 105 30.974 38.646 27.735 1.00 0.00 H new ATOM 0 HG3 MET A 105 29.517 38.230 28.615 1.00 0.00 H new ATOM 0 HE1 MET A 105 31.137 42.517 27.864 1.00 0.00 H new ATOM 0 HE2 MET A 105 32.060 41.318 28.801 1.00 0.00 H new ATOM 0 HE3 MET A 105 31.725 41.033 27.077 1.00 0.00 H new ATOM 1550 N THR A 106 33.880 36.980 30.556 1.00 0.00 N ATOM 1551 CA THR A 106 35.090 36.435 31.213 1.00 0.00 C ATOM 1552 C THR A 106 36.310 37.384 31.254 1.00 0.00 C ATOM 1553 O THR A 106 36.267 38.521 30.771 1.00 0.00 O ATOM 1554 CB THR A 106 35.458 35.102 30.530 1.00 0.00 C ATOM 1555 OG1 THR A 106 36.271 34.343 31.401 1.00 0.00 O ATOM 1556 CG2 THR A 106 36.177 35.292 29.196 1.00 0.00 C ATOM 0 H THR A 106 34.076 37.382 29.640 1.00 0.00 H new ATOM 0 HA THR A 106 34.833 36.292 32.263 1.00 0.00 H new ATOM 0 HB THR A 106 34.525 34.581 30.315 1.00 0.00 H new ATOM 0 HG1 THR A 106 36.641 33.575 30.917 1.00 0.00 H new ATOM 0 HG21 THR A 106 36.409 34.318 28.766 1.00 0.00 H new ATOM 0 HG22 THR A 106 35.535 35.847 28.512 1.00 0.00 H new ATOM 0 HG23 THR A 106 37.101 35.847 29.357 1.00 0.00 H new ATOM 1564 N ARG A 107 37.402 36.887 31.851 1.00 0.00 N ATOM 1565 CA ARG A 107 38.764 37.439 32.007 1.00 0.00 C ATOM 1566 C ARG A 107 39.407 38.080 30.767 1.00 0.00 C ATOM 1567 O ARG A 107 38.992 37.850 29.626 1.00 0.00 O ATOM 1568 CB ARG A 107 39.666 36.278 32.483 1.00 0.00 C ATOM 1569 CG ARG A 107 39.938 35.238 31.370 1.00 0.00 C ATOM 1570 CD ARG A 107 40.716 34.009 31.845 1.00 0.00 C ATOM 1571 NE ARG A 107 39.920 33.198 32.776 1.00 0.00 N ATOM 1572 CZ ARG A 107 40.016 33.162 34.093 1.00 0.00 C ATOM 1573 NH1 ARG A 107 40.908 33.808 34.785 1.00 0.00 N ATOM 1574 NH2 ARG A 107 39.175 32.449 34.769 1.00 0.00 N ATOM 0 H ARG A 107 37.348 35.970 32.294 1.00 0.00 H new ATOM 0 HA ARG A 107 38.670 38.265 32.712 1.00 0.00 H new ATOM 0 HB2 ARG A 107 40.615 36.682 32.837 1.00 0.00 H new ATOM 0 HB3 ARG A 107 39.195 35.781 33.331 1.00 0.00 H new ATOM 0 HG2 ARG A 107 38.986 34.913 30.950 1.00 0.00 H new ATOM 0 HG3 ARG A 107 40.494 35.719 30.565 1.00 0.00 H new ATOM 0 HD2 ARG A 107 41.002 33.403 30.985 1.00 0.00 H new ATOM 0 HD3 ARG A 107 41.638 34.326 32.333 1.00 0.00 H new ATOM 0 HE ARG A 107 39.213 32.594 32.358 1.00 0.00 H new ATOM 0 HH11 ARG A 107 41.596 34.392 34.311 1.00 0.00 H new ATOM 0 HH12 ARG A 107 40.919 33.730 35.802 1.00 0.00 H new ATOM 0 HH21 ARG A 107 38.448 31.922 34.285 1.00 0.00 H new ATOM 0 HH22 ARG A 107 39.239 32.413 35.786 1.00 0.00 H new ATOM 1588 N ASN A 108 40.504 38.796 31.008 1.00 0.00 N ATOM 1589 CA ASN A 108 41.461 39.215 29.986 1.00 0.00 C ATOM 1590 C ASN A 108 42.505 38.119 29.667 1.00 0.00 C ATOM 1591 O ASN A 108 42.918 37.359 30.546 1.00 0.00 O ATOM 1592 CB ASN A 108 42.127 40.528 30.426 1.00 0.00 C ATOM 1593 CG ASN A 108 42.987 41.107 29.318 1.00 0.00 C ATOM 1594 OD1 ASN A 108 42.596 41.156 28.158 1.00 0.00 O ATOM 1595 ND2 ASN A 108 44.173 41.564 29.622 1.00 0.00 N ATOM 0 H ASN A 108 40.758 39.109 31.945 1.00 0.00 H new ATOM 0 HA ASN A 108 40.919 39.383 29.055 1.00 0.00 H new ATOM 0 HB2 ASN A 108 41.361 41.250 30.710 1.00 0.00 H new ATOM 0 HB3 ASN A 108 42.740 40.349 31.310 1.00 0.00 H new ATOM 0 HD21 ASN A 108 44.769 41.959 28.895 1.00 0.00 H new ATOM 0 HD22 ASN A 108 44.503 41.525 30.586 1.00 0.00 H new ATOM 1602 N VAL A 109 42.944 38.063 28.407 1.00 0.00 N ATOM 1603 CA VAL A 109 44.021 37.202 27.893 1.00 0.00 C ATOM 1604 C VAL A 109 44.793 37.968 26.811 1.00 0.00 C ATOM 1605 O VAL A 109 44.187 38.511 25.879 1.00 0.00 O ATOM 1606 CB VAL A 109 43.467 35.885 27.296 1.00 0.00 C ATOM 1607 CG1 VAL A 109 44.609 34.926 26.937 1.00 0.00 C ATOM 1608 CG2 VAL A 109 42.521 35.120 28.233 1.00 0.00 C ATOM 0 H VAL A 109 42.538 38.647 27.676 1.00 0.00 H new ATOM 0 HA VAL A 109 44.677 36.940 28.723 1.00 0.00 H new ATOM 0 HB VAL A 109 42.906 36.200 26.416 1.00 0.00 H new ATOM 0 HG11 VAL A 109 44.196 34.008 26.520 1.00 0.00 H new ATOM 0 HG12 VAL A 109 45.262 35.397 26.202 1.00 0.00 H new ATOM 0 HG13 VAL A 109 45.182 34.691 27.834 1.00 0.00 H new ATOM 0 HG21 VAL A 109 42.178 34.211 27.740 1.00 0.00 H new ATOM 0 HG22 VAL A 109 43.050 34.858 29.150 1.00 0.00 H new ATOM 0 HG23 VAL A 109 41.663 35.747 28.475 1.00 0.00 H new ATOM 1618 N ASN A 110 46.126 37.984 26.893 1.00 0.00 N ATOM 1619 CA ASN A 110 47.010 38.619 25.903 1.00 0.00 C ATOM 1620 C ASN A 110 47.983 37.643 25.221 1.00 0.00 C ATOM 1621 O ASN A 110 48.337 37.851 24.062 1.00 0.00 O ATOM 1622 CB ASN A 110 47.760 39.758 26.614 1.00 0.00 C ATOM 1623 CG ASN A 110 48.643 40.559 25.675 1.00 0.00 C ATOM 1624 OD1 ASN A 110 49.846 40.343 25.584 1.00 0.00 O ATOM 1625 ND2 ASN A 110 48.061 41.484 24.952 1.00 0.00 N ATOM 0 H ASN A 110 46.634 37.549 27.663 1.00 0.00 H new ATOM 0 HA ASN A 110 46.397 39.003 25.087 1.00 0.00 H new ATOM 0 HB2 ASN A 110 47.037 40.425 27.083 1.00 0.00 H new ATOM 0 HB3 ASN A 110 48.373 39.340 27.413 1.00 0.00 H new ATOM 0 HD21 ASN A 110 48.611 42.041 24.298 1.00 0.00 H new ATOM 0 HD22 ASN A 110 47.058 41.647 25.044 1.00 0.00 H new ATOM 1632 N ASN A 111 48.423 36.594 25.922 1.00 0.00 N ATOM 1633 CA ASN A 111 49.558 35.763 25.511 1.00 0.00 C ATOM 1634 C ASN A 111 49.239 34.253 25.571 1.00 0.00 C ATOM 1635 O ASN A 111 49.934 33.475 26.229 1.00 0.00 O ATOM 1636 CB ASN A 111 50.772 36.191 26.360 1.00 0.00 C ATOM 1637 CG ASN A 111 52.118 35.844 25.746 1.00 0.00 C ATOM 1638 OD1 ASN A 111 52.241 35.557 24.561 1.00 0.00 O ATOM 1639 ND2 ASN A 111 53.167 35.923 26.525 1.00 0.00 N ATOM 0 H ASN A 111 47.997 36.295 26.799 1.00 0.00 H new ATOM 0 HA ASN A 111 49.792 35.924 24.459 1.00 0.00 H new ATOM 0 HB2 ASN A 111 50.726 37.268 26.521 1.00 0.00 H new ATOM 0 HB3 ASN A 111 50.700 35.719 27.340 1.00 0.00 H new ATOM 0 HD21 ASN A 111 54.098 35.745 26.147 1.00 0.00 H new ATOM 0 HD22 ASN A 111 53.054 36.163 27.510 1.00 0.00 H new ATOM 1646 N ASN A 112 48.145 33.845 24.925 1.00 0.00 N ATOM 1647 CA ASN A 112 47.741 32.448 24.727 1.00 0.00 C ATOM 1648 C ASN A 112 48.265 31.878 23.397 1.00 0.00 C ATOM 1649 O ASN A 112 48.476 32.622 22.437 1.00 0.00 O ATOM 1650 CB ASN A 112 46.211 32.317 24.845 1.00 0.00 C ATOM 1651 CG ASN A 112 45.379 33.207 23.924 1.00 0.00 C ATOM 1652 OD1 ASN A 112 45.727 34.330 23.583 1.00 0.00 O ATOM 1653 ND2 ASN A 112 44.209 32.757 23.543 1.00 0.00 N ATOM 0 H ASN A 112 47.488 34.504 24.508 1.00 0.00 H new ATOM 0 HA ASN A 112 48.197 31.849 25.515 1.00 0.00 H new ATOM 0 HB2 ASN A 112 45.941 31.279 24.651 1.00 0.00 H new ATOM 0 HB3 ASN A 112 45.928 32.533 25.875 1.00 0.00 H new ATOM 0 HD21 ASN A 112 43.600 33.341 22.969 1.00 0.00 H new ATOM 0 HD22 ASN A 112 43.907 31.823 23.820 1.00 0.00 H new ATOM 1660 N ASP A 113 48.481 30.561 23.330 1.00 0.00 N ATOM 1661 CA ASP A 113 48.976 29.887 22.123 1.00 0.00 C ATOM 1662 C ASP A 113 48.750 28.362 22.147 1.00 0.00 C ATOM 1663 O ASP A 113 49.094 27.686 23.121 1.00 0.00 O ATOM 1664 CB ASP A 113 50.479 30.175 21.965 1.00 0.00 C ATOM 1665 CG ASP A 113 51.022 29.591 20.667 1.00 0.00 C ATOM 1666 OD1 ASP A 113 50.571 30.022 19.580 1.00 0.00 O ATOM 1667 OD2 ASP A 113 51.860 28.662 20.729 1.00 0.00 O ATOM 0 H ASP A 113 48.317 29.929 24.114 1.00 0.00 H new ATOM 0 HA ASP A 113 48.410 30.281 21.279 1.00 0.00 H new ATOM 0 HB2 ASP A 113 50.649 31.252 21.981 1.00 0.00 H new ATOM 0 HB3 ASP A 113 51.023 29.754 22.811 1.00 0.00 H new ATOM 1672 N PHE A 114 48.273 27.803 21.031 1.00 0.00 N ATOM 1673 CA PHE A 114 48.147 26.357 20.794 1.00 0.00 C ATOM 1674 C PHE A 114 48.719 25.973 19.417 1.00 0.00 C ATOM 1675 O PHE A 114 48.399 26.601 18.404 1.00 0.00 O ATOM 1676 CB PHE A 114 46.688 25.901 20.987 1.00 0.00 C ATOM 1677 CG PHE A 114 45.603 26.922 20.667 1.00 0.00 C ATOM 1678 CD1 PHE A 114 45.249 27.201 19.334 1.00 0.00 C ATOM 1679 CD2 PHE A 114 44.944 27.600 21.712 1.00 0.00 C ATOM 1680 CE1 PHE A 114 44.248 28.147 19.046 1.00 0.00 C ATOM 1681 CE2 PHE A 114 43.943 28.546 21.424 1.00 0.00 C ATOM 1682 CZ PHE A 114 43.595 28.821 20.091 1.00 0.00 C ATOM 0 H PHE A 114 47.952 28.361 20.240 1.00 0.00 H new ATOM 0 HA PHE A 114 48.743 25.824 21.534 1.00 0.00 H new ATOM 0 HB2 PHE A 114 46.521 25.022 20.365 1.00 0.00 H new ATOM 0 HB3 PHE A 114 46.564 25.587 22.023 1.00 0.00 H new ATOM 0 HD1 PHE A 114 45.749 26.686 18.527 1.00 0.00 H new ATOM 0 HD2 PHE A 114 45.208 27.393 22.738 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.982 28.355 18.020 1.00 0.00 H new ATOM 0 HE2 PHE A 114 43.441 29.062 22.229 1.00 0.00 H new ATOM 0 HZ PHE A 114 42.828 29.548 19.870 1.00 0.00 H new ATOM 1692 N SER A 115 49.587 24.954 19.386 1.00 0.00 N ATOM 1693 CA SER A 115 50.414 24.564 18.224 1.00 0.00 C ATOM 1694 C SER A 115 49.747 23.552 17.315 1.00 0.00 C ATOM 1695 O SER A 115 49.383 22.455 17.796 1.00 0.00 O ATOM 1696 CB SER A 115 51.775 24.042 18.678 1.00 0.00 C ATOM 1697 OG SER A 115 52.378 24.997 19.529 1.00 0.00 O ATOM 1698 OXT SER A 115 49.534 23.892 16.131 1.00 0.00 O ATOM 0 H SER A 115 49.742 24.353 20.196 1.00 0.00 H new ATOM 0 HA SER A 115 50.546 25.472 17.636 1.00 0.00 H new ATOM 0 HB2 SER A 115 51.658 23.093 19.201 1.00 0.00 H new ATOM 0 HB3 SER A 115 52.412 23.853 17.814 1.00 0.00 H new ATOM 0 HG SER A 115 53.252 24.666 19.825 1.00 0.00 H new TER 1704 SER A 115 HETATM 1705 FE1 FES A 201 32.195 33.412 36.918 1.00 0.00 FE HETATM 1706 FE2 FES A 201 31.679 30.945 36.676 1.00 0.00 FE HETATM 1707 S1 FES A 201 32.937 32.120 35.326 1.00 0.00 S HETATM 1708 S2 FES A 201 31.300 32.139 38.461 1.00 0.00 S