USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 831 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 90 GLN :FLIP amide:sc= -8.81! C(o=-11!,f=-7.4!) USER MOD Set 1.2: A 91 SER OG : rot 76:sc= 1.44 USER MOD Set 2.1: A 6 ASN : amide:sc= 1.03 X(o=2.2,f=2) USER MOD Set 2.2: A 59 TYR OH : rot 118:sc= 1.19 USER MOD Single : A 7 SER OG : rot 81:sc= 0.808 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0538) USER MOD Single : A 10 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.306 (180deg=-0.843) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -130:sc= -1.05 USER MOD Single : A 29 GLN : amide:sc= -9.61! C(o=-9.6!,f=-10!) USER MOD Single : A 33 SER OG : rot 106:sc= 0.958 USER MOD Single : A 34 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.15) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -36:sc= 0.287 USER MOD Single : A 51 ASN :FLIP amide:sc= -7.2! C(o=-11!,f=-7.2!) USER MOD Single : A 52 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 54 ASN : amide:sc= -0.0555 K(o=-0.056,f=-1.5) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -3.96! C(o=-4!,f=-6.3!) USER MOD Single : A 62 GLN : amide:sc= -0.0991 X(o=-0.099,f=-0.12) USER MOD Single : A 64 THR OG1 : rot -91:sc= 0.965! USER MOD Single : A 68 THR OG1 : rot -170:sc= -0.926 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.000117 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 88:sc= 0.586 USER MOD Single : A 89 GLN : amide:sc= -7.25! C(o=-7.2!,f=-12!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= -0.0771 (180deg=-0.631) USER MOD Single : A 100 GLN : amide:sc= -0.885 X(o=-0.88,f=-0.72) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 17.472 43.244 -0.012 1.00 0.00 N ATOM 31 CA GLU A 3 18.698 42.683 -0.648 1.00 0.00 C ATOM 32 C GLU A 3 19.638 42.132 0.429 1.00 0.00 C ATOM 33 O GLU A 3 20.615 41.473 0.134 1.00 0.00 O ATOM 34 CB GLU A 3 19.414 43.788 -1.432 1.00 0.00 C ATOM 35 CG GLU A 3 19.630 45.011 -0.532 1.00 0.00 C ATOM 36 CD GLU A 3 18.340 45.829 -0.462 1.00 0.00 C ATOM 37 OE1 GLU A 3 17.937 46.353 -1.487 1.00 0.00 O ATOM 38 OE2 GLU A 3 17.774 45.917 0.616 1.00 0.00 O ATOM 0 HA GLU A 3 18.415 41.876 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.373 43.422 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.824 44.068 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.925 44.692 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.441 45.625 -0.923 1.00 0.00 H new ATOM 45 N PHE A 4 19.357 42.404 1.673 1.00 11.75 N ATOM 46 CA PHE A 4 20.239 41.909 2.766 1.00 10.29 C ATOM 47 C PHE A 4 20.281 40.379 2.776 1.00 10.97 C ATOM 48 O PHE A 4 21.255 39.773 2.378 1.00 7.53 O ATOM 49 CB PHE A 4 19.701 42.413 4.113 1.00 11.72 C ATOM 50 CG PHE A 4 20.549 43.559 4.618 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.462 44.819 4.017 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.421 43.354 5.694 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.249 45.875 4.492 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.208 44.410 6.168 1.00 19.72 C ATOM 55 CZ PHE A 4 22.122 45.670 5.567 1.00 20.03 C ATOM 0 H PHE A 4 18.552 42.950 1.980 1.00 11.75 H new ATOM 0 HA PHE A 4 21.249 42.283 2.601 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.667 42.738 4.001 1.00 11.72 H new ATOM 0 HB3 PHE A 4 19.703 41.601 4.840 1.00 11.72 H new ATOM 0 HD1 PHE A 4 19.789 44.977 3.188 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.486 42.381 6.158 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.183 46.848 4.029 1.00 18.59 H new ATOM 0 HE2 PHE A 4 22.881 44.252 6.997 1.00 19.72 H new ATOM 0 HZ PHE A 4 22.729 46.485 5.932 1.00 20.03 H new ATOM 65 N VAL A 5 19.244 39.750 3.252 1.00 10.96 N ATOM 66 CA VAL A 5 19.247 38.263 3.312 1.00 12.03 C ATOM 67 C VAL A 5 19.063 37.682 1.909 1.00 12.91 C ATOM 68 O VAL A 5 19.632 36.662 1.574 1.00 10.57 O ATOM 69 CB VAL A 5 18.117 37.787 4.232 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.049 38.688 5.468 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.776 37.845 3.493 1.00 9.23 C ATOM 0 H VAL A 5 18.397 40.199 3.601 1.00 10.96 H new ATOM 0 HA VAL A 5 20.202 37.920 3.709 1.00 12.03 H new ATOM 0 HB VAL A 5 18.317 36.759 4.534 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.245 38.349 6.122 1.00 5.33 H new ATOM 0 HG12 VAL A 5 18.997 38.642 6.004 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.856 39.715 5.159 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.980 37.505 4.156 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.576 38.870 3.182 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.817 37.201 2.614 1.00 9.23 H new ATOM 81 N ASN A 6 18.281 38.319 1.086 1.00 13.95 N ATOM 82 CA ASN A 6 18.072 37.796 -0.288 1.00 13.93 C ATOM 83 C ASN A 6 19.425 37.653 -0.988 1.00 14.98 C ATOM 84 O ASN A 6 19.642 36.740 -1.760 1.00 13.88 O ATOM 85 CB ASN A 6 17.188 38.768 -1.070 1.00 19.23 C ATOM 86 CG ASN A 6 15.745 38.666 -0.571 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.195 39.624 -0.067 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.103 37.536 -0.694 1.00 26.59 N ATOM 0 H ASN A 6 17.778 39.179 1.306 1.00 13.95 H new ATOM 0 HA ASN A 6 17.585 36.822 -0.240 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.554 39.787 -0.948 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.232 38.539 -2.135 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.140 37.458 -0.367 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.564 36.731 -1.117 1.00 26.59 H new ATOM 95 N SER A 7 20.339 38.548 -0.723 1.00 0.00 N ATOM 96 CA SER A 7 21.675 38.462 -1.378 1.00 0.00 C ATOM 97 C SER A 7 22.499 37.339 -0.738 1.00 0.00 C ATOM 98 O SER A 7 23.522 36.943 -1.257 1.00 0.00 O ATOM 99 CB SER A 7 22.413 39.789 -1.202 1.00 0.00 C ATOM 100 OG SER A 7 21.694 40.820 -1.868 1.00 0.00 O ATOM 0 H SER A 7 20.218 39.333 -0.083 1.00 0.00 H new ATOM 0 HA SER A 7 21.540 38.251 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.512 40.025 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.422 39.713 -1.607 1.00 0.00 H new ATOM 0 HG SER A 7 20.958 41.127 -1.298 1.00 0.00 H new ATOM 106 N LYS A 8 22.073 36.832 0.389 1.00 13.50 N ATOM 107 CA LYS A 8 22.852 35.749 1.061 1.00 11.83 C ATOM 108 C LYS A 8 22.269 34.375 0.708 1.00 12.94 C ATOM 109 O LYS A 8 22.990 33.461 0.358 1.00 11.22 O ATOM 110 CB LYS A 8 22.798 35.953 2.577 1.00 13.35 C ATOM 111 CG LYS A 8 23.436 37.300 2.933 1.00 9.72 C ATOM 112 CD LYS A 8 23.417 37.493 4.453 1.00 17.72 C ATOM 113 CE LYS A 8 23.584 38.978 4.790 1.00 15.70 C ATOM 114 NZ LYS A 8 24.928 39.440 4.344 1.00 22.87 N ATOM 0 H LYS A 8 21.222 37.119 0.872 1.00 13.50 H new ATOM 0 HA LYS A 8 23.886 35.790 0.718 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.764 35.925 2.922 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.325 35.144 3.083 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.461 37.337 2.565 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.893 38.111 2.447 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.479 37.121 4.864 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.218 36.914 4.912 1.00 17.72 H new ATOM 0 HE2 LYS A 8 22.806 39.563 4.300 1.00 15.70 H new ATOM 0 HE3 LYS A 8 23.472 39.133 5.863 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.117 40.386 4.733 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.653 38.775 4.682 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.954 39.482 3.305 1.00 22.87 H new ATOM 128 N ILE A 9 20.977 34.215 0.805 1.00 11.05 N ATOM 129 CA ILE A 9 20.366 32.890 0.482 1.00 13.61 C ATOM 130 C ILE A 9 20.235 32.719 -1.030 1.00 12.23 C ATOM 131 O ILE A 9 19.763 33.592 -1.731 1.00 12.72 O ATOM 132 CB ILE A 9 18.979 32.784 1.114 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.128 33.974 0.661 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.115 32.767 2.641 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.105 34.338 1.744 1.00 25.19 C ATOM 0 H ILE A 9 20.319 34.940 1.092 1.00 11.05 H new ATOM 0 HA ILE A 9 21.013 32.109 0.881 1.00 13.61 H new ATOM 0 HB ILE A 9 18.492 31.862 0.798 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.769 34.831 0.454 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.613 33.729 -0.268 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.126 32.691 3.094 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.719 31.911 2.943 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.597 33.686 2.974 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.507 35.185 1.409 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.453 33.485 1.930 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.627 34.603 2.663 1.00 25.19 H new ATOM 147 N GLN A 10 20.632 31.583 -1.524 1.00 11.13 N ATOM 148 CA GLN A 10 20.519 31.302 -2.978 1.00 10.86 C ATOM 149 C GLN A 10 20.355 29.780 -3.155 1.00 10.00 C ATOM 150 O GLN A 10 20.679 29.031 -2.256 1.00 10.42 O ATOM 151 CB GLN A 10 21.773 31.835 -3.698 1.00 14.27 C ATOM 152 CG GLN A 10 22.732 30.699 -4.056 1.00 22.05 C ATOM 153 CD GLN A 10 24.073 31.297 -4.482 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.406 32.402 -4.099 1.00 32.99 O ATOM 155 NE2 GLN A 10 24.859 30.615 -5.265 1.00 34.61 N ATOM 0 H GLN A 10 21.036 30.826 -0.973 1.00 11.13 H new ATOM 0 HA GLN A 10 19.655 31.801 -3.416 1.00 10.86 H new ATOM 0 HB2 GLN A 10 21.478 32.364 -4.604 1.00 14.27 H new ATOM 0 HB3 GLN A 10 22.283 32.557 -3.060 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.869 30.038 -3.200 1.00 22.05 H new ATOM 0 HG3 GLN A 10 22.316 30.095 -4.862 1.00 22.05 H new ATOM 0 HE21 GLN A 10 24.580 29.688 -5.586 1.00 34.61 H new ATOM 0 HE22 GLN A 10 25.754 31.008 -5.557 1.00 34.61 H new ATOM 164 N PRO A 11 19.846 29.364 -4.289 1.00 6.53 N ATOM 165 CA PRO A 11 19.618 27.934 -4.558 1.00 7.75 C ATOM 166 C PRO A 11 20.923 27.136 -4.486 1.00 6.33 C ATOM 167 O PRO A 11 21.914 27.476 -5.103 1.00 9.49 O ATOM 168 CB PRO A 11 19.030 27.885 -5.978 1.00 8.32 C ATOM 169 CG PRO A 11 18.945 29.340 -6.499 1.00 7.94 C ATOM 170 CD PRO A 11 19.456 30.268 -5.386 1.00 11.72 C ATOM 0 HA PRO A 11 18.952 27.489 -3.819 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.658 27.280 -6.632 1.00 8.32 H new ATOM 0 HB3 PRO A 11 18.043 27.423 -5.968 1.00 8.32 H new ATOM 0 HG2 PRO A 11 19.546 29.458 -7.401 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.918 29.591 -6.764 1.00 7.94 H new ATOM 0 HD2 PRO A 11 20.302 30.865 -5.726 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.682 30.966 -5.067 1.00 11.72 H new ATOM 178 N GLY A 12 20.912 26.060 -3.755 1.00 5.64 N ATOM 179 CA GLY A 12 22.127 25.207 -3.655 1.00 8.39 C ATOM 180 C GLY A 12 23.137 25.802 -2.670 1.00 7.67 C ATOM 181 O GLY A 12 24.315 25.510 -2.736 1.00 10.24 O ATOM 0 H GLY A 12 20.109 25.732 -3.219 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.846 24.205 -3.332 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.588 25.108 -4.638 1.00 8.39 H new ATOM 185 N LYS A 13 22.698 26.619 -1.752 1.00 9.66 N ATOM 186 CA LYS A 13 23.654 27.206 -0.769 1.00 10.29 C ATOM 187 C LYS A 13 23.000 27.265 0.610 1.00 10.20 C ATOM 188 O LYS A 13 21.867 27.679 0.755 1.00 6.89 O ATOM 189 CB LYS A 13 24.056 28.614 -1.207 1.00 9.77 C ATOM 190 CG LYS A 13 25.234 29.089 -0.355 1.00 10.63 C ATOM 191 CD LYS A 13 25.728 30.443 -0.865 1.00 12.04 C ATOM 192 CE LYS A 13 26.766 31.007 0.107 1.00 19.12 C ATOM 193 NZ LYS A 13 27.826 29.988 0.352 1.00 25.36 N ATOM 0 H LYS A 13 21.725 26.904 -1.640 1.00 9.66 H new ATOM 0 HA LYS A 13 24.545 26.580 -0.722 1.00 10.29 H new ATOM 0 HB2 LYS A 13 24.331 28.615 -2.262 1.00 9.77 H new ATOM 0 HB3 LYS A 13 23.213 29.297 -1.097 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.930 29.172 0.689 1.00 10.63 H new ATOM 0 HG3 LYS A 13 26.042 28.358 -0.395 1.00 10.63 H new ATOM 0 HD2 LYS A 13 26.166 30.332 -1.857 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.891 31.135 -0.961 1.00 12.04 H new ATOM 0 HE2 LYS A 13 27.208 31.915 -0.303 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.287 31.282 1.047 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 28.668 30.451 0.750 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 27.474 29.275 1.022 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 28.077 29.526 -0.545 1.00 25.36 H new ATOM 207 N VAL A 14 23.711 26.852 1.626 1.00 10.89 N ATOM 208 CA VAL A 14 23.144 26.881 2.999 1.00 9.99 C ATOM 209 C VAL A 14 23.681 28.101 3.745 1.00 5.01 C ATOM 210 O VAL A 14 24.862 28.392 3.716 1.00 6.68 O ATOM 211 CB VAL A 14 23.543 25.605 3.742 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.971 25.635 5.163 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.982 24.393 2.994 1.00 5.86 C ATOM 0 H VAL A 14 24.664 26.495 1.560 1.00 10.89 H new ATOM 0 HA VAL A 14 22.057 26.941 2.944 1.00 9.99 H new ATOM 0 HB VAL A 14 24.630 25.538 3.793 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.257 24.725 5.690 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.364 26.501 5.695 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.884 25.701 5.116 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.263 23.480 3.519 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.895 24.465 2.947 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.388 24.370 1.983 1.00 5.86 H new ATOM 223 N VAL A 15 22.819 28.818 4.410 1.00 3.11 N ATOM 224 CA VAL A 15 23.259 30.024 5.166 1.00 10.10 C ATOM 225 C VAL A 15 22.488 30.077 6.486 1.00 9.35 C ATOM 226 O VAL A 15 21.322 29.739 6.546 1.00 11.00 O ATOM 227 CB VAL A 15 22.993 31.282 4.316 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.832 32.100 4.894 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.254 32.152 4.286 1.00 10.96 C ATOM 0 H VAL A 15 21.820 28.619 4.463 1.00 3.11 H new ATOM 0 HA VAL A 15 24.327 29.979 5.381 1.00 10.10 H new ATOM 0 HB VAL A 15 22.728 30.966 3.307 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.665 32.982 4.276 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.929 31.490 4.908 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.076 32.410 5.910 1.00 15.82 H new ATOM 0 HG21 VAL A 15 24.068 33.042 3.685 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.516 32.448 5.302 1.00 10.96 H new ATOM 0 HG23 VAL A 15 25.077 31.585 3.850 1.00 10.96 H new ATOM 239 N VAL A 16 23.139 30.468 7.550 1.00 8.87 N ATOM 240 CA VAL A 16 22.457 30.506 8.872 1.00 5.41 C ATOM 241 C VAL A 16 22.512 31.909 9.487 1.00 6.62 C ATOM 242 O VAL A 16 23.572 32.469 9.692 1.00 8.94 O ATOM 243 CB VAL A 16 23.161 29.522 9.810 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.384 29.411 11.124 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.236 28.146 9.140 1.00 5.31 C ATOM 0 H VAL A 16 24.115 30.763 7.558 1.00 8.87 H new ATOM 0 HA VAL A 16 21.410 30.235 8.734 1.00 5.41 H new ATOM 0 HB VAL A 16 24.168 29.881 10.020 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.890 28.709 11.788 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.334 30.390 11.601 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.374 29.055 10.921 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.737 27.444 9.806 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.228 27.789 8.928 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.796 28.225 8.208 1.00 5.31 H new ATOM 255 N PHE A 17 21.372 32.462 9.812 1.00 5.51 N ATOM 256 CA PHE A 17 21.337 33.807 10.455 1.00 5.80 C ATOM 257 C PHE A 17 21.356 33.596 11.968 1.00 7.23 C ATOM 258 O PHE A 17 20.505 32.921 12.513 1.00 5.39 O ATOM 259 CB PHE A 17 20.056 34.532 10.042 1.00 5.73 C ATOM 260 CG PHE A 17 20.160 34.925 8.591 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.896 33.982 7.592 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.531 36.228 8.244 1.00 6.14 C ATOM 263 CE1 PHE A 17 20.002 34.343 6.244 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.639 36.590 6.897 1.00 5.88 C ATOM 265 CZ PHE A 17 20.374 35.648 5.897 1.00 5.73 C ATOM 0 H PHE A 17 20.458 32.035 9.658 1.00 5.51 H new ATOM 0 HA PHE A 17 22.191 34.410 10.147 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.192 33.886 10.196 1.00 5.73 H new ATOM 0 HB3 PHE A 17 19.907 35.416 10.662 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.610 32.976 7.861 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.734 36.955 9.016 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.797 33.616 5.472 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.927 37.596 6.629 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.456 35.927 4.857 1.00 5.73 H new ATOM 275 N ILE A 18 22.341 34.121 12.651 1.00 8.64 N ATOM 276 CA ILE A 18 22.426 33.890 14.127 1.00 6.83 C ATOM 277 C ILE A 18 22.707 35.178 14.897 1.00 10.62 C ATOM 278 O ILE A 18 22.690 36.272 14.372 1.00 6.74 O ATOM 279 CB ILE A 18 23.569 32.912 14.400 1.00 6.39 C ATOM 280 CG1 ILE A 18 24.895 33.526 13.936 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.317 31.603 13.647 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.052 32.600 14.319 1.00 8.36 C ATOM 0 H ILE A 18 23.085 34.695 12.256 1.00 8.64 H new ATOM 0 HA ILE A 18 21.466 33.497 14.460 1.00 6.83 H new ATOM 0 HB ILE A 18 23.621 32.708 15.470 1.00 6.39 H new ATOM 0 HG12 ILE A 18 24.879 33.677 12.857 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.033 34.506 14.393 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.133 30.908 13.843 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.378 31.165 13.984 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.261 31.804 12.577 1.00 2.18 H new ATOM 0 HD11 ILE A 18 26.994 33.038 13.988 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.072 32.471 15.401 1.00 8.36 H new ATOM 0 HD13 ILE A 18 25.915 31.630 13.841 1.00 8.36 H new ATOM 294 N LYS A 19 22.990 35.010 16.155 1.00 12.12 N ATOM 295 CA LYS A 19 23.313 36.143 17.056 1.00 15.62 C ATOM 296 C LYS A 19 24.338 35.598 18.057 1.00 16.36 C ATOM 297 O LYS A 19 23.957 34.957 19.015 1.00 13.35 O ATOM 298 CB LYS A 19 22.050 36.576 17.820 1.00 18.25 C ATOM 299 CG LYS A 19 21.280 37.653 17.036 1.00 25.24 C ATOM 300 CD LYS A 19 20.622 38.637 18.012 1.00 30.64 C ATOM 301 CE LYS A 19 19.576 37.908 18.856 1.00 31.75 C ATOM 302 NZ LYS A 19 19.001 38.856 19.851 1.00 38.73 N ATOM 0 H LYS A 19 23.011 34.098 16.611 1.00 12.12 H new ATOM 0 HA LYS A 19 23.692 37.001 16.501 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.407 35.712 17.988 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.327 36.962 18.801 1.00 18.25 H new ATOM 0 HG2 LYS A 19 21.959 38.186 16.370 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.520 37.186 16.409 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.378 39.083 18.659 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.154 39.452 17.460 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.788 37.511 18.216 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.031 37.059 19.366 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.289 38.364 20.428 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 19.758 39.214 20.467 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.554 39.652 19.354 1.00 38.73 H new ATOM 316 N PRO A 20 25.602 35.818 17.801 1.00 17.46 N ATOM 317 CA PRO A 20 26.661 35.283 18.669 1.00 20.12 C ATOM 318 C PRO A 20 26.381 35.632 20.135 1.00 24.12 C ATOM 319 O PRO A 20 26.913 36.579 20.676 1.00 24.58 O ATOM 320 CB PRO A 20 27.953 35.929 18.150 1.00 20.63 C ATOM 321 CG PRO A 20 27.612 36.626 16.807 1.00 18.08 C ATOM 322 CD PRO A 20 26.082 36.615 16.654 1.00 17.14 C ATOM 0 HA PRO A 20 26.727 34.195 18.639 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.338 36.650 18.871 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.728 35.176 18.007 1.00 20.63 H new ATOM 0 HG2 PRO A 20 27.990 37.648 16.799 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.084 36.105 15.974 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.674 37.625 16.674 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.781 36.168 15.706 1.00 17.14 H new ATOM 330 N THR A 21 25.547 34.860 20.782 1.00 24.78 N ATOM 331 CA THR A 21 25.234 35.138 22.211 1.00 27.36 C ATOM 332 C THR A 21 24.251 34.088 22.738 1.00 24.99 C ATOM 333 O THR A 21 24.275 33.733 23.901 1.00 26.49 O ATOM 334 CB THR A 21 24.616 36.533 22.336 1.00 28.64 C ATOM 335 OG1 THR A 21 23.895 36.620 23.556 1.00 30.99 O ATOM 336 CG2 THR A 21 23.668 36.786 21.162 1.00 34.82 C ATOM 0 H THR A 21 25.071 34.051 20.382 1.00 24.78 H new ATOM 0 HA THR A 21 26.152 35.095 22.798 1.00 27.36 H new ATOM 0 HB THR A 21 25.408 37.282 22.325 1.00 28.64 H new ATOM 0 HG1 THR A 21 23.500 37.513 23.639 1.00 30.99 H new ATOM 0 HG21 THR A 21 23.231 37.780 21.255 1.00 34.82 H new ATOM 0 HG22 THR A 21 24.222 36.720 20.226 1.00 34.82 H new ATOM 0 HG23 THR A 21 22.875 36.039 21.167 1.00 34.82 H new ATOM 344 N CYS A 22 23.384 33.590 21.894 1.00 21.46 N ATOM 345 CA CYS A 22 22.401 32.565 22.355 1.00 17.23 C ATOM 346 C CYS A 22 22.934 31.154 21.996 1.00 14.71 C ATOM 347 O CYS A 22 23.193 30.884 20.839 1.00 13.71 O ATOM 348 CB CYS A 22 21.063 32.826 21.653 1.00 15.71 C ATOM 349 SG CYS A 22 19.707 32.662 22.841 1.00 9.78 S ATOM 0 H CYS A 22 23.314 33.848 20.910 1.00 21.46 H new ATOM 0 HA CYS A 22 22.261 32.623 23.434 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.059 33.825 21.218 1.00 15.71 H new ATOM 0 HB3 CYS A 22 20.928 32.121 20.833 1.00 15.71 H new ATOM 0 HG CYS A 22 18.575 32.886 22.242 1.00 9.78 H new ATOM 354 N PRO A 23 23.091 30.298 22.989 1.00 13.86 N ATOM 355 CA PRO A 23 23.608 28.925 22.778 1.00 13.47 C ATOM 356 C PRO A 23 22.802 28.140 21.728 1.00 8.59 C ATOM 357 O PRO A 23 23.212 27.076 21.305 1.00 10.79 O ATOM 358 CB PRO A 23 23.496 28.251 24.151 1.00 11.94 C ATOM 359 CG PRO A 23 23.113 29.339 25.176 1.00 7.24 C ATOM 360 CD PRO A 23 22.774 30.620 24.397 1.00 12.58 C ATOM 0 HA PRO A 23 24.628 28.950 22.395 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.743 27.463 24.130 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.441 27.782 24.425 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.259 29.018 25.773 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.936 29.519 25.868 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.724 30.889 24.515 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.362 31.467 24.752 1.00 12.58 H new ATOM 368 N TYR A 24 21.672 28.627 21.303 1.00 0.00 N ATOM 369 CA TYR A 24 20.884 27.865 20.286 1.00 0.00 C ATOM 370 C TYR A 24 21.550 27.968 18.920 1.00 0.00 C ATOM 371 O TYR A 24 21.767 26.977 18.252 1.00 0.00 O ATOM 372 CB TYR A 24 19.459 28.407 20.196 1.00 0.00 C ATOM 373 CG TYR A 24 18.602 27.746 21.245 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.637 28.195 22.568 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.763 26.685 20.882 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.835 27.579 23.534 1.00 0.00 C ATOM 377 CE2 TYR A 24 16.961 26.069 21.849 1.00 0.00 C ATOM 378 CZ TYR A 24 16.996 26.518 23.175 1.00 0.00 C ATOM 379 OH TYR A 24 16.204 25.913 24.128 1.00 0.00 O ATOM 0 H TYR A 24 21.260 29.509 21.609 1.00 0.00 H new ATOM 0 HA TYR A 24 20.849 26.820 20.595 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.460 29.487 20.340 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.049 28.218 19.204 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.282 29.016 22.844 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.735 26.343 19.858 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.863 27.922 24.558 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.316 25.248 21.573 1.00 0.00 H new ATOM 0 HH TYR A 24 15.682 25.195 23.712 1.00 0.00 H new ATOM 389 N SER A 25 21.881 29.147 18.484 1.00 0.00 N ATOM 390 CA SER A 25 22.530 29.254 17.157 1.00 0.00 C ATOM 391 C SER A 25 23.837 28.482 17.213 1.00 0.00 C ATOM 392 O SER A 25 24.316 27.977 16.217 1.00 0.00 O ATOM 393 CB SER A 25 22.808 30.718 16.815 1.00 0.00 C ATOM 394 OG SER A 25 24.193 30.881 16.535 1.00 0.00 O ATOM 0 H SER A 25 21.733 30.026 18.980 1.00 0.00 H new ATOM 0 HA SER A 25 21.875 28.845 16.388 1.00 0.00 H new ATOM 0 HB2 SER A 25 22.213 31.021 15.954 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.515 31.359 17.646 1.00 0.00 H new ATOM 0 HG SER A 25 24.545 31.635 17.053 1.00 0.00 H new ATOM 400 N ARG A 26 24.411 28.361 18.377 1.00 16.21 N ATOM 401 CA ARG A 26 25.671 27.591 18.490 1.00 15.67 C ATOM 402 C ARG A 26 25.378 26.140 18.100 1.00 13.70 C ATOM 403 O ARG A 26 26.174 25.485 17.457 1.00 12.41 O ATOM 404 CB ARG A 26 26.186 27.662 19.932 1.00 22.04 C ATOM 405 CG ARG A 26 27.032 28.930 20.116 1.00 31.64 C ATOM 406 CD ARG A 26 28.461 28.679 19.619 1.00 43.08 C ATOM 407 NE ARG A 26 29.020 29.938 19.049 1.00 52.93 N ATOM 408 CZ ARG A 26 30.303 30.046 18.842 1.00 57.80 C ATOM 409 NH1 ARG A 26 31.101 29.055 19.141 1.00 58.61 N ATOM 410 NH2 ARG A 26 30.792 31.143 18.335 1.00 59.59 N ATOM 0 H ARG A 26 24.062 28.761 19.248 1.00 16.21 H new ATOM 0 HA ARG A 26 26.435 28.004 17.831 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.347 27.668 20.628 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.783 26.779 20.159 1.00 22.04 H new ATOM 0 HG2 ARG A 26 26.586 29.758 19.566 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.048 29.218 21.167 1.00 31.64 H new ATOM 0 HD2 ARG A 26 29.087 28.331 20.441 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.461 27.894 18.863 1.00 43.08 H new ATOM 0 HE ARG A 26 28.399 30.715 18.821 1.00 52.93 H new ATOM 0 HH11 ARG A 26 30.720 28.195 19.537 1.00 58.61 H new ATOM 0 HH12 ARG A 26 32.104 29.141 18.978 1.00 58.61 H new ATOM 0 HH21 ARG A 26 30.171 31.917 18.100 1.00 59.59 H new ATOM 0 HH22 ARG A 26 31.796 31.227 18.173 1.00 59.59 H new ATOM 424 N ARG A 27 24.229 25.638 18.474 1.00 0.00 N ATOM 425 CA ARG A 27 23.874 24.238 18.109 1.00 0.00 C ATOM 426 C ARG A 27 23.885 24.103 16.588 1.00 0.00 C ATOM 427 O ARG A 27 24.495 23.207 16.038 1.00 0.00 O ATOM 428 CB ARG A 27 22.477 23.893 18.646 1.00 0.00 C ATOM 429 CG ARG A 27 22.594 23.346 20.069 1.00 0.00 C ATOM 430 CD ARG A 27 21.208 23.301 20.717 1.00 0.00 C ATOM 431 NE ARG A 27 21.301 22.618 22.039 1.00 0.00 N ATOM 432 CZ ARG A 27 20.325 22.720 22.898 1.00 0.00 C ATOM 433 NH1 ARG A 27 19.259 23.410 22.597 1.00 0.00 N ATOM 434 NH2 ARG A 27 20.410 22.126 24.056 1.00 0.00 N ATOM 0 H ARG A 27 23.524 26.138 19.015 1.00 0.00 H new ATOM 0 HA ARG A 27 24.600 23.553 18.548 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.844 24.780 18.638 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.000 23.155 18.000 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.031 22.347 20.051 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.262 23.975 20.658 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.821 24.312 20.844 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.509 22.771 20.070 1.00 0.00 H new ATOM 0 HE ARG A 27 22.129 22.070 22.272 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.189 23.870 21.689 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.496 23.489 23.269 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.240 21.581 24.290 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.646 22.206 24.728 1.00 0.00 H new ATOM 448 N ALA A 28 23.212 24.986 15.902 1.00 0.00 N ATOM 449 CA ALA A 28 23.183 24.904 14.419 1.00 0.00 C ATOM 450 C ALA A 28 24.613 24.977 13.889 1.00 0.00 C ATOM 451 O ALA A 28 24.968 24.328 12.929 1.00 0.00 O ATOM 452 CB ALA A 28 22.371 26.072 13.855 1.00 0.00 C ATOM 0 H ALA A 28 22.683 25.759 16.306 1.00 0.00 H new ATOM 0 HA ALA A 28 22.722 23.965 14.113 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.351 26.010 12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.352 26.026 14.240 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.830 27.013 14.156 1.00 0.00 H new ATOM 458 N GLN A 29 25.436 25.766 14.515 1.00 19.83 N ATOM 459 CA GLN A 29 26.844 25.892 14.059 1.00 20.83 C ATOM 460 C GLN A 29 27.596 24.590 14.341 1.00 20.95 C ATOM 461 O GLN A 29 28.366 24.115 13.531 1.00 22.85 O ATOM 462 CB GLN A 29 27.511 27.040 14.826 1.00 21.33 C ATOM 463 CG GLN A 29 27.056 28.393 14.256 1.00 34.02 C ATOM 464 CD GLN A 29 28.216 29.049 13.502 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.993 28.376 12.856 1.00 42.72 O ATOM 466 NE2 GLN A 29 28.369 30.344 13.560 1.00 45.49 N ATOM 0 H GLN A 29 25.192 26.332 15.328 1.00 19.83 H new ATOM 0 HA GLN A 29 26.867 26.094 12.988 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.255 26.978 15.884 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.595 26.953 14.755 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.208 28.250 13.586 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.719 29.044 15.063 1.00 34.02 H new ATOM 0 HE21 GLN A 29 27.717 30.911 14.102 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.141 30.789 13.063 1.00 45.49 H new ATOM 475 N GLU A 30 27.387 24.024 15.492 1.00 22.87 N ATOM 476 CA GLU A 30 28.094 22.763 15.853 1.00 23.32 C ATOM 477 C GLU A 30 27.539 21.578 15.055 1.00 22.32 C ATOM 478 O GLU A 30 28.270 20.691 14.665 1.00 25.42 O ATOM 479 CB GLU A 30 27.905 22.494 17.345 1.00 24.18 C ATOM 480 CG GLU A 30 28.760 23.471 18.154 1.00 32.27 C ATOM 481 CD GLU A 30 30.236 23.098 18.012 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.510 21.952 17.693 1.00 32.92 O ATOM 483 OE2 GLU A 30 31.069 23.963 18.224 1.00 34.69 O ATOM 0 H GLU A 30 26.752 24.381 16.206 1.00 22.87 H new ATOM 0 HA GLU A 30 29.152 22.876 15.618 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.855 22.604 17.615 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.188 21.468 17.579 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.596 24.490 17.803 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.467 23.444 19.203 1.00 32.27 H new ATOM 490 N ILE A 31 26.254 21.536 14.834 1.00 0.00 N ATOM 491 CA ILE A 31 25.672 20.379 14.089 1.00 0.00 C ATOM 492 C ILE A 31 25.967 20.506 12.588 1.00 0.00 C ATOM 493 O ILE A 31 26.533 19.613 11.992 1.00 0.00 O ATOM 494 CB ILE A 31 24.160 20.313 14.358 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.618 18.915 14.005 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.424 21.379 13.547 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.833 18.607 12.518 1.00 0.00 C ATOM 0 H ILE A 31 25.585 22.245 15.133 1.00 0.00 H new ATOM 0 HA ILE A 31 26.129 19.452 14.435 1.00 0.00 H new ATOM 0 HB ILE A 31 23.990 20.502 15.418 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.119 18.162 14.613 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.555 18.861 14.242 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.355 21.317 13.750 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.790 22.367 13.827 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.601 21.215 12.484 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.443 17.615 12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.311 19.349 11.914 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.899 18.638 12.290 1.00 0.00 H new ATOM 509 N LEU A 32 25.612 21.596 11.961 1.00 16.72 N ATOM 510 CA LEU A 32 25.909 21.724 10.509 1.00 15.05 C ATOM 511 C LEU A 32 27.415 21.587 10.303 1.00 15.55 C ATOM 512 O LEU A 32 27.880 21.239 9.237 1.00 17.28 O ATOM 513 CB LEU A 32 25.430 23.090 10.000 1.00 12.57 C ATOM 514 CG LEU A 32 24.003 22.978 9.432 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.205 24.239 9.783 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.067 22.820 7.903 1.00 12.45 C ATOM 0 H LEU A 32 25.136 22.392 12.386 1.00 16.72 H new ATOM 0 HA LEU A 32 25.390 20.944 9.953 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.449 23.816 10.813 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.108 23.457 9.229 1.00 12.57 H new ATOM 0 HG LEU A 32 23.511 22.108 9.867 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.196 24.155 9.379 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.154 24.348 10.866 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.696 25.112 9.353 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.056 22.741 7.503 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.563 23.688 7.468 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.628 21.919 7.653 1.00 12.45 H new ATOM 528 N SER A 33 28.182 21.843 11.321 1.00 16.31 N ATOM 529 CA SER A 33 29.653 21.711 11.183 1.00 18.98 C ATOM 530 C SER A 33 29.990 20.237 10.937 1.00 18.49 C ATOM 531 O SER A 33 30.962 19.912 10.284 1.00 21.34 O ATOM 532 CB SER A 33 30.330 22.184 12.469 1.00 19.20 C ATOM 533 OG SER A 33 30.416 23.604 12.466 1.00 24.11 O ATOM 0 H SER A 33 27.854 22.137 12.241 1.00 16.31 H new ATOM 0 HA SER A 33 30.007 22.318 10.350 1.00 18.98 H new ATOM 0 HB2 SER A 33 29.763 21.845 13.336 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.326 21.749 12.549 1.00 19.20 H new ATOM 0 HG SER A 33 29.762 23.973 13.096 1.00 24.11 H new ATOM 539 N GLN A 34 29.187 19.344 11.457 1.00 20.00 N ATOM 540 CA GLN A 34 29.448 17.891 11.260 1.00 24.71 C ATOM 541 C GLN A 34 28.757 17.415 9.979 1.00 23.33 C ATOM 542 O GLN A 34 28.830 16.257 9.617 1.00 26.27 O ATOM 543 CB GLN A 34 28.897 17.111 12.456 1.00 28.15 C ATOM 544 CG GLN A 34 29.474 17.677 13.756 1.00 37.01 C ATOM 545 CD GLN A 34 31.002 17.622 13.711 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.592 16.583 13.927 1.00 44.07 O ATOM 547 NE2 GLN A 34 31.673 18.709 13.442 1.00 41.20 N ATOM 0 H GLN A 34 28.359 19.562 12.011 1.00 20.00 H new ATOM 0 HA GLN A 34 30.522 17.722 11.176 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.809 17.174 12.473 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.154 16.056 12.363 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.142 18.706 13.895 1.00 37.01 H new ATOM 0 HG3 GLN A 34 29.105 17.105 14.608 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.178 19.582 13.260 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.692 18.685 13.413 1.00 41.20 H new ATOM 556 N LEU A 35 28.090 18.299 9.285 1.00 19.63 N ATOM 557 CA LEU A 35 27.404 17.893 8.030 1.00 15.93 C ATOM 558 C LEU A 35 28.386 18.054 6.857 1.00 13.36 C ATOM 559 O LEU A 35 29.023 19.083 6.739 1.00 16.12 O ATOM 560 CB LEU A 35 26.186 18.799 7.812 1.00 13.69 C ATOM 561 CG LEU A 35 25.004 18.316 8.673 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.818 19.281 8.515 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.576 16.899 8.250 1.00 16.28 C ATOM 0 H LEU A 35 27.992 19.283 9.535 1.00 19.63 H new ATOM 0 HA LEU A 35 27.077 16.855 8.095 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.438 19.828 8.071 1.00 13.69 H new ATOM 0 HB3 LEU A 35 25.904 18.795 6.759 1.00 13.69 H new ATOM 0 HG LEU A 35 25.318 18.293 9.716 1.00 11.57 H new ATOM 0 HD11 LEU A 35 22.984 18.936 9.126 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.115 20.279 8.838 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.513 19.314 7.469 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.740 16.572 8.868 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.272 16.908 7.203 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.413 16.212 8.379 1.00 16.28 H new ATOM 575 N PRO A 36 28.497 17.038 6.024 1.00 16.38 N ATOM 576 CA PRO A 36 29.418 17.073 4.872 1.00 17.59 C ATOM 577 C PRO A 36 28.930 18.080 3.829 1.00 19.11 C ATOM 578 O PRO A 36 28.551 17.726 2.730 1.00 21.54 O ATOM 579 CB PRO A 36 29.380 15.648 4.304 1.00 16.71 C ATOM 580 CG PRO A 36 28.166 14.940 4.945 1.00 16.59 C ATOM 581 CD PRO A 36 27.729 15.782 6.151 1.00 15.74 C ATOM 0 HA PRO A 36 30.425 17.379 5.154 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.286 15.668 3.218 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.303 15.116 4.535 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.352 14.847 4.226 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.431 13.930 5.258 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.655 15.970 6.136 1.00 15.74 H new ATOM 0 HD3 PRO A 36 27.950 15.275 7.090 1.00 15.74 H new ATOM 589 N ILE A 37 28.942 19.334 4.159 1.00 0.00 N ATOM 590 CA ILE A 37 28.490 20.353 3.177 1.00 0.00 C ATOM 591 C ILE A 37 29.641 20.640 2.211 1.00 0.00 C ATOM 592 O ILE A 37 30.799 20.573 2.574 1.00 0.00 O ATOM 593 CB ILE A 37 28.087 21.634 3.910 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.826 21.355 4.755 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.825 22.746 2.878 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.565 21.624 3.930 1.00 0.00 C ATOM 0 H ILE A 37 29.244 19.699 5.062 1.00 0.00 H new ATOM 0 HA ILE A 37 27.627 19.984 2.623 1.00 0.00 H new ATOM 0 HB ILE A 37 28.887 21.961 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.831 20.320 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.829 21.985 5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.537 23.662 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.731 22.926 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 37 27.021 22.439 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.683 21.423 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.555 22.666 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.558 20.975 3.054 1.00 0.00 H new ATOM 608 N LYS A 38 29.336 20.929 0.978 1.00 12.68 N ATOM 609 CA LYS A 38 30.412 21.189 -0.017 1.00 12.78 C ATOM 610 C LYS A 38 31.361 22.287 0.476 1.00 14.66 C ATOM 611 O LYS A 38 31.382 22.636 1.639 1.00 13.94 O ATOM 612 CB LYS A 38 29.776 21.606 -1.343 1.00 11.68 C ATOM 613 CG LYS A 38 28.814 20.503 -1.819 1.00 12.28 C ATOM 614 CD LYS A 38 29.083 20.163 -3.289 1.00 13.74 C ATOM 615 CE LYS A 38 28.660 21.337 -4.170 1.00 20.88 C ATOM 616 NZ LYS A 38 29.268 21.183 -5.520 1.00 29.41 N ATOM 0 H LYS A 38 28.385 20.997 0.615 1.00 12.68 H new ATOM 0 HA LYS A 38 30.994 20.278 -0.154 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.237 22.546 -1.221 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.549 21.777 -2.092 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.938 19.612 -1.204 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.782 20.833 -1.698 1.00 12.28 H new ATOM 0 HD2 LYS A 38 30.141 19.948 -3.436 1.00 13.74 H new ATOM 0 HD3 LYS A 38 28.533 19.266 -3.572 1.00 13.74 H new ATOM 0 HE2 LYS A 38 27.574 21.374 -4.250 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.978 22.277 -3.720 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 28.982 21.981 -6.123 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 30.304 21.168 -5.434 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 28.943 20.292 -5.948 1.00 29.41 H new ATOM 630 N GLN A 39 32.166 22.804 -0.414 1.00 0.00 N ATOM 631 CA GLN A 39 33.155 23.862 -0.043 1.00 0.00 C ATOM 632 C GLN A 39 32.489 25.031 0.690 1.00 0.00 C ATOM 633 O GLN A 39 31.716 24.852 1.610 1.00 0.00 O ATOM 634 CB GLN A 39 33.836 24.381 -1.312 1.00 0.00 C ATOM 635 CG GLN A 39 34.411 23.204 -2.104 1.00 0.00 C ATOM 636 CD GLN A 39 34.964 23.707 -3.438 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.942 24.427 -3.471 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.374 23.355 -4.548 1.00 0.00 N ATOM 0 H GLN A 39 32.181 22.535 -1.398 1.00 0.00 H new ATOM 0 HA GLN A 39 33.888 23.418 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 39 33.119 24.928 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.631 25.080 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.201 22.718 -1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 39 33.637 22.456 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 39 33.553 22.750 -4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 39 34.734 23.684 -5.444 1.00 0.00 H new ATOM 647 N GLY A 40 32.816 26.234 0.297 1.00 11.96 N ATOM 648 CA GLY A 40 32.243 27.436 0.967 1.00 8.67 C ATOM 649 C GLY A 40 30.738 27.508 0.730 1.00 10.51 C ATOM 650 O GLY A 40 30.209 28.527 0.334 1.00 15.27 O ATOM 0 H GLY A 40 33.462 26.436 -0.467 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.448 27.397 2.037 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.722 28.337 0.584 1.00 8.67 H new ATOM 654 N LEU A 41 30.043 26.437 0.977 1.00 8.78 N ATOM 655 CA LEU A 41 28.565 26.440 0.778 1.00 6.78 C ATOM 656 C LEU A 41 27.892 26.702 2.118 1.00 7.45 C ATOM 657 O LEU A 41 26.817 27.262 2.196 1.00 2.18 O ATOM 658 CB LEU A 41 28.121 25.061 0.266 1.00 6.98 C ATOM 659 CG LEU A 41 27.321 25.198 -1.036 1.00 7.77 C ATOM 660 CD1 LEU A 41 28.285 25.339 -2.220 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.444 23.952 -1.220 1.00 6.68 C ATOM 0 H LEU A 41 30.433 25.555 1.309 1.00 8.78 H new ATOM 0 HA LEU A 41 28.290 27.210 0.057 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.995 24.432 0.097 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.512 24.565 1.022 1.00 6.98 H new ATOM 0 HG LEU A 41 26.688 26.084 -0.988 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.715 25.436 -3.144 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.905 26.225 -2.081 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.922 24.456 -2.278 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.872 24.043 -2.144 1.00 6.68 H new ATOM 0 HD22 LEU A 41 27.077 23.066 -1.270 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.759 23.861 -0.377 1.00 6.68 H new ATOM 673 N LEU A 42 28.528 26.290 3.172 1.00 7.13 N ATOM 674 CA LEU A 42 27.952 26.487 4.525 1.00 6.20 C ATOM 675 C LEU A 42 28.522 27.768 5.125 1.00 5.03 C ATOM 676 O LEU A 42 29.714 28.005 5.095 1.00 5.38 O ATOM 677 CB LEU A 42 28.334 25.288 5.394 1.00 3.82 C ATOM 678 CG LEU A 42 27.836 25.484 6.828 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.310 25.616 6.833 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.246 24.271 7.669 1.00 2.48 C ATOM 0 H LEU A 42 29.433 25.820 3.154 1.00 7.13 H new ATOM 0 HA LEU A 42 26.866 26.569 4.472 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.906 24.377 4.976 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.417 25.161 5.393 1.00 3.82 H new ATOM 0 HG LEU A 42 28.274 26.390 7.246 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.960 25.755 7.856 1.00 3.57 H new ATOM 0 HD12 LEU A 42 26.017 26.475 6.229 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.865 24.712 6.417 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.895 24.403 8.693 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.803 23.369 7.247 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.332 24.177 7.667 1.00 2.48 H new ATOM 692 N GLU A 43 27.677 28.602 5.660 1.00 5.92 N ATOM 693 CA GLU A 43 28.164 29.875 6.253 1.00 7.54 C ATOM 694 C GLU A 43 27.338 30.204 7.498 1.00 6.00 C ATOM 695 O GLU A 43 26.316 29.600 7.758 1.00 4.97 O ATOM 696 CB GLU A 43 28.012 30.998 5.216 1.00 8.77 C ATOM 697 CG GLU A 43 28.447 32.341 5.815 1.00 16.17 C ATOM 698 CD GLU A 43 29.815 32.191 6.483 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.789 32.049 5.765 1.00 22.03 O ATOM 700 OE2 GLU A 43 29.862 32.210 7.702 1.00 19.19 O ATOM 0 H GLU A 43 26.669 28.456 5.712 1.00 5.92 H new ATOM 0 HA GLU A 43 29.212 29.778 6.535 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.614 30.773 4.336 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.975 31.059 4.886 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.495 33.100 5.034 1.00 16.17 H new ATOM 0 HG3 GLU A 43 27.711 32.680 6.544 1.00 16.17 H new ATOM 707 N PHE A 44 27.769 31.172 8.256 1.00 7.78 N ATOM 708 CA PHE A 44 27.022 31.582 9.477 1.00 9.60 C ATOM 709 C PHE A 44 26.898 33.106 9.444 1.00 6.71 C ATOM 710 O PHE A 44 27.872 33.823 9.561 1.00 6.85 O ATOM 711 CB PHE A 44 27.785 31.124 10.722 1.00 12.09 C ATOM 712 CG PHE A 44 28.202 29.683 10.535 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.284 28.650 10.771 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.503 29.379 10.116 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.669 27.317 10.587 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.887 28.045 9.934 1.00 16.33 C ATOM 717 CZ PHE A 44 28.969 27.014 10.170 1.00 10.85 C ATOM 0 H PHE A 44 28.621 31.705 8.078 1.00 7.78 H new ATOM 0 HA PHE A 44 26.032 31.128 9.507 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.661 31.753 10.880 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.157 31.223 11.607 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.280 28.883 11.095 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.211 30.174 9.933 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.961 26.521 10.767 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.891 27.811 9.612 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.265 25.985 10.030 1.00 10.85 H new ATOM 727 N VAL A 45 25.712 33.604 9.222 1.00 6.10 N ATOM 728 CA VAL A 45 25.527 35.080 9.104 1.00 6.58 C ATOM 729 C VAL A 45 25.145 35.721 10.442 1.00 6.12 C ATOM 730 O VAL A 45 24.009 35.667 10.871 1.00 5.14 O ATOM 731 CB VAL A 45 24.423 35.345 8.078 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.046 36.826 8.095 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.928 34.963 6.683 1.00 2.33 C ATOM 0 H VAL A 45 24.861 33.052 9.117 1.00 6.10 H new ATOM 0 HA VAL A 45 26.472 35.524 8.789 1.00 6.58 H new ATOM 0 HB VAL A 45 23.545 34.749 8.328 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.260 37.010 7.363 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.688 37.099 9.088 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.921 37.427 7.846 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.145 35.150 5.949 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.806 35.561 6.438 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.193 33.906 6.669 1.00 2.33 H new ATOM 743 N ASP A 46 26.088 36.365 11.081 1.00 6.79 N ATOM 744 CA ASP A 46 25.797 37.056 12.368 1.00 6.49 C ATOM 745 C ASP A 46 25.166 38.416 12.049 1.00 9.11 C ATOM 746 O ASP A 46 25.836 39.345 11.644 1.00 7.52 O ATOM 747 CB ASP A 46 27.103 37.246 13.138 1.00 7.84 C ATOM 748 CG ASP A 46 27.850 35.911 13.191 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.312 34.937 12.694 1.00 15.32 O ATOM 750 OD2 ASP A 46 28.946 35.887 13.729 1.00 10.50 O ATOM 0 H ASP A 46 27.054 36.441 10.762 1.00 6.79 H new ATOM 0 HA ASP A 46 25.111 36.468 12.978 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.719 38.003 12.653 1.00 7.84 H new ATOM 0 HB3 ASP A 46 26.896 37.602 14.147 1.00 7.84 H new ATOM 755 N ILE A 47 23.876 38.523 12.194 1.00 8.21 N ATOM 756 CA ILE A 47 23.181 39.804 11.863 1.00 8.33 C ATOM 757 C ILE A 47 23.651 40.955 12.762 1.00 10.92 C ATOM 758 O ILE A 47 23.183 42.068 12.630 1.00 9.40 O ATOM 759 CB ILE A 47 21.673 39.615 12.019 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.355 39.114 13.428 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.188 38.586 11.001 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.842 39.139 13.646 1.00 7.93 C ATOM 0 H ILE A 47 23.267 37.776 12.529 1.00 8.21 H new ATOM 0 HA ILE A 47 23.425 40.065 10.833 1.00 8.33 H new ATOM 0 HB ILE A 47 21.172 40.569 11.853 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.736 38.101 13.560 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.851 39.741 14.169 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.112 38.447 11.108 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.410 38.938 9.994 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.695 37.637 11.173 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.613 38.782 14.650 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.475 40.159 13.531 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.358 38.494 12.913 1.00 7.93 H new ATOM 774 N THR A 48 24.564 40.718 13.666 1.00 13.41 N ATOM 775 CA THR A 48 25.033 41.832 14.548 1.00 16.67 C ATOM 776 C THR A 48 26.311 42.439 13.966 1.00 16.58 C ATOM 777 O THR A 48 26.618 43.594 14.184 1.00 18.03 O ATOM 778 CB THR A 48 25.322 41.296 15.955 1.00 15.80 C ATOM 779 OG1 THR A 48 25.691 42.376 16.804 1.00 21.06 O ATOM 780 CG2 THR A 48 26.463 40.280 15.896 1.00 21.72 C ATOM 0 H THR A 48 25.003 39.812 13.833 1.00 13.41 H new ATOM 0 HA THR A 48 24.256 42.595 14.605 1.00 16.67 H new ATOM 0 HB THR A 48 24.429 40.810 16.348 1.00 15.80 H new ATOM 0 HG1 THR A 48 25.875 42.036 17.705 1.00 21.06 H new ATOM 0 HG21 THR A 48 26.665 39.901 16.898 1.00 21.72 H new ATOM 0 HG22 THR A 48 26.180 39.452 15.246 1.00 21.72 H new ATOM 0 HG23 THR A 48 27.358 40.761 15.502 1.00 21.72 H new ATOM 788 N ALA A 49 27.057 41.670 13.222 1.00 15.36 N ATOM 789 CA ALA A 49 28.314 42.202 12.623 1.00 18.08 C ATOM 790 C ALA A 49 27.977 43.064 11.404 1.00 20.63 C ATOM 791 O ALA A 49 28.807 43.295 10.548 1.00 22.45 O ATOM 792 CB ALA A 49 29.204 41.037 12.186 1.00 18.76 C ATOM 0 H ALA A 49 26.851 40.695 13.003 1.00 15.36 H new ATOM 0 HA ALA A 49 28.838 42.806 13.363 1.00 18.08 H new ATOM 0 HB1 ALA A 49 30.123 41.426 11.748 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.447 40.420 13.051 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.677 40.434 11.447 1.00 18.76 H new ATOM 798 N THR A 50 26.763 43.537 11.313 1.00 22.30 N ATOM 799 CA THR A 50 26.374 44.379 10.145 1.00 25.27 C ATOM 800 C THR A 50 25.417 45.481 10.600 1.00 24.34 C ATOM 801 O THR A 50 24.931 46.255 9.803 1.00 25.49 O ATOM 802 CB THR A 50 25.669 43.503 9.101 1.00 22.85 C ATOM 803 OG1 THR A 50 25.550 44.225 7.884 1.00 23.28 O ATOM 804 CG2 THR A 50 24.274 43.117 9.606 1.00 25.63 C ATOM 0 H THR A 50 26.024 43.377 11.997 1.00 22.30 H new ATOM 0 HA THR A 50 27.267 44.828 9.711 1.00 25.27 H new ATOM 0 HB THR A 50 26.253 42.598 8.934 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.381 45.170 8.080 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.777 42.495 8.862 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.366 42.562 10.540 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.686 44.019 9.776 1.00 25.63 H new ATOM 812 N ASN A 51 25.127 45.550 11.870 1.00 0.00 N ATOM 813 CA ASN A 51 24.187 46.596 12.357 1.00 0.00 C ATOM 814 C ASN A 51 22.808 46.306 11.757 1.00 0.00 C ATOM 815 O ASN A 51 22.627 45.318 11.075 1.00 0.00 O ATOM 816 CB ASN A 51 24.698 47.992 11.944 1.00 0.00 C ATOM 817 CG ASN A 51 23.989 48.481 10.678 1.00 0.00 C ATOM 818 OD1 ASN A 51 22.783 48.966 10.769 1.00 0.00 O flip ATOM 819 ND2 ASN A 51 24.547 48.441 9.598 1.00 0.00 N flip ATOM 0 H ASN A 51 25.499 44.929 12.589 1.00 0.00 H new ATOM 0 HA ASN A 51 24.118 46.582 13.445 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.530 48.700 12.756 1.00 0.00 H new ATOM 0 HB3 ASN A 51 25.774 47.954 11.771 1.00 0.00 H new ATOM 0 HD21 ASN A 51 25.491 48.062 9.525 1.00 0.00 H new ATOM 0 HD22 ASN A 51 24.071 48.787 8.765 1.00 0.00 H new ATOM 826 N HIS A 52 21.832 47.140 11.993 1.00 0.00 N ATOM 827 CA HIS A 52 20.485 46.863 11.414 1.00 0.00 C ATOM 828 C HIS A 52 19.994 45.517 11.955 1.00 0.00 C ATOM 829 O HIS A 52 19.146 44.872 11.373 1.00 0.00 O ATOM 830 CB HIS A 52 20.602 46.786 9.879 1.00 0.00 C ATOM 831 CG HIS A 52 19.801 47.882 9.233 1.00 0.00 C ATOM 832 ND1 HIS A 52 19.152 47.701 8.021 1.00 0.00 N ATOM 833 CD2 HIS A 52 19.547 49.178 9.605 1.00 0.00 C ATOM 834 CE1 HIS A 52 18.546 48.860 7.709 1.00 0.00 C ATOM 835 NE2 HIS A 52 18.755 49.795 8.639 1.00 0.00 N ATOM 0 H HIS A 52 21.905 47.989 12.553 1.00 0.00 H new ATOM 0 HA HIS A 52 19.785 47.653 11.685 1.00 0.00 H new ATOM 0 HB2 HIS A 52 21.648 46.870 9.584 1.00 0.00 H new ATOM 0 HB3 HIS A 52 20.249 45.816 9.530 1.00 0.00 H new ATOM 0 HD2 HIS A 52 19.906 49.648 10.509 1.00 0.00 H new ATOM 0 HE1 HIS A 52 17.961 49.016 6.815 1.00 0.00 H new ATOM 0 HE2 HIS A 52 18.409 50.755 8.642 1.00 0.00 H new ATOM 843 N THR A 53 20.539 45.082 13.053 1.00 18.27 N ATOM 844 CA THR A 53 20.132 43.769 13.629 1.00 16.01 C ATOM 845 C THR A 53 18.609 43.602 13.580 1.00 16.57 C ATOM 846 O THR A 53 18.097 42.691 12.963 1.00 18.87 O ATOM 847 CB THR A 53 20.606 43.687 15.088 1.00 15.02 C ATOM 848 OG1 THR A 53 21.721 44.549 15.267 1.00 13.32 O ATOM 849 CG2 THR A 53 21.013 42.249 15.421 1.00 9.59 C ATOM 0 H THR A 53 21.254 45.581 13.582 1.00 18.27 H new ATOM 0 HA THR A 53 20.588 42.973 13.041 1.00 16.01 H new ATOM 0 HB THR A 53 19.796 43.992 15.750 1.00 15.02 H new ATOM 0 HG1 THR A 53 22.026 44.501 16.197 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.348 42.196 16.457 1.00 9.59 H new ATOM 0 HG22 THR A 53 20.158 41.587 15.282 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.823 41.938 14.761 1.00 9.59 H new ATOM 857 N ASN A 54 17.884 44.458 14.248 1.00 13.94 N ATOM 858 CA ASN A 54 16.396 44.333 14.267 1.00 18.93 C ATOM 859 C ASN A 54 15.818 44.382 12.851 1.00 16.34 C ATOM 860 O ASN A 54 14.811 43.763 12.568 1.00 15.61 O ATOM 861 CB ASN A 54 15.801 45.476 15.092 1.00 24.12 C ATOM 862 CG ASN A 54 16.374 45.444 16.511 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.916 44.443 16.938 1.00 45.21 O ATOM 864 ND2 ASN A 54 16.278 46.506 17.264 1.00 37.58 N ATOM 0 H ASN A 54 18.258 45.241 14.783 1.00 13.94 H new ATOM 0 HA ASN A 54 16.140 43.371 14.712 1.00 18.93 H new ATOM 0 HB2 ASN A 54 16.026 46.433 14.621 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.715 45.385 15.126 1.00 24.12 H new ATOM 0 HD21 ASN A 54 16.658 46.496 18.211 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.823 47.346 16.906 1.00 37.58 H new ATOM 871 N GLU A 55 16.422 45.115 11.963 1.00 16.09 N ATOM 872 CA GLU A 55 15.870 45.197 10.583 1.00 15.04 C ATOM 873 C GLU A 55 15.891 43.815 9.925 1.00 15.56 C ATOM 874 O GLU A 55 14.933 43.410 9.298 1.00 18.95 O ATOM 875 CB GLU A 55 16.705 46.178 9.759 1.00 18.55 C ATOM 876 CG GLU A 55 16.372 47.614 10.179 1.00 23.55 C ATOM 877 CD GLU A 55 16.448 47.741 11.703 1.00 30.41 C ATOM 878 OE1 GLU A 55 17.511 47.489 12.246 1.00 33.02 O ATOM 879 OE2 GLU A 55 15.440 48.080 12.299 1.00 31.49 O ATOM 0 H GLU A 55 17.269 45.659 12.129 1.00 16.09 H new ATOM 0 HA GLU A 55 14.839 45.548 10.629 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.767 45.982 9.907 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.501 46.042 8.697 1.00 18.55 H new ATOM 0 HG2 GLU A 55 17.069 48.310 9.712 1.00 23.55 H new ATOM 0 HG3 GLU A 55 15.374 47.882 9.832 1.00 23.55 H new ATOM 886 N ILE A 56 16.965 43.083 10.055 1.00 9.56 N ATOM 887 CA ILE A 56 17.007 41.737 9.421 1.00 8.91 C ATOM 888 C ILE A 56 15.977 40.824 10.089 1.00 7.70 C ATOM 889 O ILE A 56 15.143 40.240 9.428 1.00 9.84 O ATOM 890 CB ILE A 56 18.410 41.134 9.557 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.351 41.793 8.535 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.347 39.623 9.299 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.961 43.062 9.137 1.00 8.03 C ATOM 0 H ILE A 56 17.804 43.356 10.566 1.00 9.56 H new ATOM 0 HA ILE A 56 16.769 41.833 8.362 1.00 8.91 H new ATOM 0 HB ILE A 56 18.786 41.312 10.564 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.141 41.097 8.252 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.802 42.038 7.626 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.345 39.195 9.396 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.681 39.157 10.025 1.00 2.31 H new ATOM 0 HG23 ILE A 56 17.971 39.441 8.292 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.627 43.526 8.410 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.165 43.760 9.397 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.525 42.805 10.033 1.00 8.03 H new ATOM 905 N GLN A 57 16.004 40.697 11.386 1.00 7.49 N ATOM 906 CA GLN A 57 14.996 39.818 12.040 1.00 6.88 C ATOM 907 C GLN A 57 13.624 40.311 11.626 1.00 9.50 C ATOM 908 O GLN A 57 12.756 39.549 11.249 1.00 11.03 O ATOM 909 CB GLN A 57 15.109 39.916 13.559 1.00 11.02 C ATOM 910 CG GLN A 57 16.581 40.023 13.965 1.00 12.13 C ATOM 911 CD GLN A 57 16.783 39.332 15.317 1.00 16.77 C ATOM 912 OE1 GLN A 57 16.703 38.124 15.413 1.00 17.49 O ATOM 913 NE2 GLN A 57 17.043 40.054 16.373 1.00 17.84 N ATOM 0 H GLN A 57 16.667 41.154 12.012 1.00 7.49 H new ATOM 0 HA GLN A 57 15.159 38.782 11.741 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.559 40.786 13.918 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.657 39.040 14.024 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.214 39.559 13.208 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.877 41.070 14.030 1.00 12.13 H new ATOM 0 HE21 GLN A 57 17.110 41.069 16.293 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.179 39.604 17.278 1.00 17.84 H new ATOM 922 N ASP A 58 13.437 41.596 11.669 1.00 13.48 N ATOM 923 CA ASP A 58 12.136 42.157 11.253 1.00 13.94 C ATOM 924 C ASP A 58 11.872 41.666 9.835 1.00 13.32 C ATOM 925 O ASP A 58 10.751 41.407 9.448 1.00 14.28 O ATOM 926 CB ASP A 58 12.214 43.686 11.269 1.00 12.80 C ATOM 927 CG ASP A 58 12.031 44.198 12.699 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.954 43.376 13.597 1.00 18.84 O ATOM 929 OD2 ASP A 58 11.971 45.405 12.871 1.00 15.13 O ATOM 0 H ASP A 58 14.130 42.279 11.975 1.00 13.48 H new ATOM 0 HA ASP A 58 11.337 41.845 11.925 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.176 44.015 10.875 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.444 44.106 10.621 1.00 12.80 H new ATOM 934 N TYR A 59 12.918 41.512 9.068 1.00 12.69 N ATOM 935 CA TYR A 59 12.753 41.007 7.679 1.00 10.10 C ATOM 936 C TYR A 59 12.545 39.490 7.723 1.00 7.75 C ATOM 937 O TYR A 59 11.641 38.963 7.106 1.00 5.81 O ATOM 938 CB TYR A 59 13.994 41.334 6.847 1.00 12.40 C ATOM 939 CG TYR A 59 13.713 41.017 5.399 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.096 41.970 4.581 1.00 11.52 C ATOM 941 CD2 TYR A 59 14.063 39.767 4.876 1.00 6.81 C ATOM 942 CE1 TYR A 59 12.831 41.675 3.240 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.799 39.472 3.534 1.00 10.94 C ATOM 944 CZ TYR A 59 13.182 40.425 2.715 1.00 9.37 C ATOM 945 OH TYR A 59 12.921 40.133 1.392 1.00 12.99 O ATOM 0 H TYR A 59 13.878 41.715 9.345 1.00 12.69 H new ATOM 0 HA TYR A 59 11.889 41.487 7.219 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.255 42.386 6.958 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.847 40.755 7.200 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.824 42.934 4.986 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.537 39.030 5.508 1.00 6.81 H new ATOM 0 HE1 TYR A 59 12.356 42.411 2.609 1.00 8.47 H new ATOM 0 HE2 TYR A 59 14.071 38.508 3.130 1.00 10.94 H new ATOM 0 HH TYR A 59 13.764 39.962 0.922 1.00 12.99 H new ATOM 955 N LEU A 60 13.365 38.781 8.460 1.00 10.71 N ATOM 956 CA LEU A 60 13.186 37.302 8.544 1.00 11.04 C ATOM 957 C LEU A 60 11.745 37.028 8.949 1.00 10.32 C ATOM 958 O LEU A 60 11.130 36.069 8.528 1.00 14.61 O ATOM 959 CB LEU A 60 14.116 36.711 9.612 1.00 7.24 C ATOM 960 CG LEU A 60 15.580 37.021 9.288 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.471 36.434 10.388 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.958 36.400 7.939 1.00 7.23 C ATOM 0 H LEU A 60 14.142 39.160 9.001 1.00 10.71 H new ATOM 0 HA LEU A 60 13.421 36.849 7.581 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.861 37.120 10.590 1.00 7.24 H new ATOM 0 HB3 LEU A 60 13.972 35.632 9.670 1.00 7.24 H new ATOM 0 HG LEU A 60 15.720 38.101 9.234 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.516 36.651 10.164 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.205 36.879 11.347 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.327 35.355 10.436 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.001 36.624 7.715 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.821 35.320 7.985 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.321 36.814 7.157 1.00 7.23 H new ATOM 974 N GLN A 61 11.209 37.879 9.772 1.00 10.78 N ATOM 975 CA GLN A 61 9.810 37.707 10.232 1.00 11.72 C ATOM 976 C GLN A 61 8.856 37.745 9.033 1.00 14.05 C ATOM 977 O GLN A 61 8.062 36.851 8.833 1.00 14.24 O ATOM 978 CB GLN A 61 9.482 38.851 11.194 1.00 17.47 C ATOM 979 CG GLN A 61 8.008 38.810 11.587 1.00 25.06 C ATOM 980 CD GLN A 61 7.782 37.693 12.603 1.00 31.26 C ATOM 981 OE1 GLN A 61 8.720 37.196 13.194 1.00 40.45 O ATOM 982 NE2 GLN A 61 6.570 37.275 12.836 1.00 30.05 N ATOM 0 H GLN A 61 11.688 38.697 10.150 1.00 10.78 H new ATOM 0 HA GLN A 61 9.695 36.746 10.734 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.105 38.775 12.085 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.713 39.807 10.724 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.707 39.768 12.011 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.390 38.644 10.705 1.00 25.06 H new ATOM 0 HE21 GLN A 61 5.782 37.692 12.340 1.00 30.05 H new ATOM 0 HE22 GLN A 61 6.409 36.531 13.515 1.00 30.05 H new ATOM 991 N GLN A 62 8.912 38.780 8.245 1.00 15.71 N ATOM 992 CA GLN A 62 7.986 38.880 7.079 1.00 18.54 C ATOM 993 C GLN A 62 8.293 37.789 6.049 1.00 19.36 C ATOM 994 O GLN A 62 7.401 37.150 5.527 1.00 19.52 O ATOM 995 CB GLN A 62 8.145 40.257 6.426 1.00 25.59 C ATOM 996 CG GLN A 62 7.028 40.481 5.403 1.00 34.08 C ATOM 997 CD GLN A 62 5.698 40.685 6.130 1.00 38.28 C ATOM 998 OE1 GLN A 62 5.558 41.598 6.920 1.00 41.81 O ATOM 999 NE2 GLN A 62 4.708 39.869 5.895 1.00 36.81 N ATOM 0 H GLN A 62 9.558 39.562 8.356 1.00 15.71 H new ATOM 0 HA GLN A 62 6.963 38.748 7.430 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.114 41.036 7.188 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.117 40.327 5.937 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.254 41.352 4.787 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.959 39.625 4.732 1.00 34.08 H new ATOM 0 HE21 GLN A 62 4.825 39.103 5.232 1.00 36.81 H new ATOM 0 HE22 GLN A 62 3.817 39.997 6.374 1.00 36.81 H new ATOM 1008 N LEU A 63 9.538 37.581 5.735 1.00 17.09 N ATOM 1009 CA LEU A 63 9.881 36.544 4.719 1.00 16.00 C ATOM 1010 C LEU A 63 9.529 35.149 5.232 1.00 11.34 C ATOM 1011 O LEU A 63 9.045 34.312 4.497 1.00 10.68 O ATOM 1012 CB LEU A 63 11.380 36.600 4.407 1.00 19.91 C ATOM 1013 CG LEU A 63 11.716 35.579 3.304 1.00 21.77 C ATOM 1014 CD1 LEU A 63 12.746 36.166 2.332 1.00 21.25 C ATOM 1015 CD2 LEU A 63 12.286 34.294 3.922 1.00 19.51 C ATOM 0 H LEU A 63 10.333 38.080 6.134 1.00 17.09 H new ATOM 0 HA LEU A 63 9.306 36.746 3.816 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.657 37.604 4.085 1.00 19.91 H new ATOM 0 HB3 LEU A 63 11.957 36.383 5.306 1.00 19.91 H new ATOM 0 HG LEU A 63 10.798 35.346 2.765 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.974 35.434 1.558 1.00 21.25 H new ATOM 0 HD12 LEU A 63 12.340 37.066 1.871 1.00 21.25 H new ATOM 0 HD13 LEU A 63 13.658 36.416 2.875 1.00 21.25 H new ATOM 0 HD21 LEU A 63 12.519 33.582 3.130 1.00 19.51 H new ATOM 0 HD22 LEU A 63 13.194 34.529 4.477 1.00 19.51 H new ATOM 0 HD23 LEU A 63 11.550 33.858 4.598 1.00 19.51 H new ATOM 1027 N THR A 64 9.789 34.888 6.478 1.00 10.04 N ATOM 1028 CA THR A 64 9.494 33.534 7.041 1.00 8.87 C ATOM 1029 C THR A 64 8.291 33.615 7.976 1.00 10.75 C ATOM 1030 O THR A 64 7.256 33.026 7.735 1.00 11.38 O ATOM 1031 CB THR A 64 10.698 33.038 7.853 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.754 33.742 9.085 1.00 6.36 O ATOM 1033 CG2 THR A 64 11.994 33.272 7.077 1.00 6.96 C ATOM 0 H THR A 64 10.194 35.552 7.138 1.00 10.04 H new ATOM 0 HA THR A 64 9.286 32.851 6.218 1.00 8.87 H new ATOM 0 HB THR A 64 10.585 31.970 8.039 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.306 34.545 8.978 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.840 32.915 7.665 1.00 6.96 H new ATOM 0 HG22 THR A 64 11.955 32.730 6.132 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.113 34.337 6.880 1.00 6.96 H new ATOM 1041 N GLY A 65 8.440 34.325 9.055 1.00 10.19 N ATOM 1042 CA GLY A 65 7.337 34.444 10.044 1.00 13.28 C ATOM 1043 C GLY A 65 7.955 34.406 11.438 1.00 14.66 C ATOM 1044 O GLY A 65 7.543 35.111 12.337 1.00 14.79 O ATOM 0 H GLY A 65 9.290 34.835 9.297 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.788 35.374 9.894 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.623 33.630 9.920 1.00 13.28 H new ATOM 1048 N ALA A 66 8.955 33.584 11.614 1.00 12.02 N ATOM 1049 CA ALA A 66 9.631 33.483 12.938 1.00 9.85 C ATOM 1050 C ALA A 66 10.905 34.331 12.936 1.00 14.04 C ATOM 1051 O ALA A 66 11.657 34.343 11.982 1.00 17.81 O ATOM 1052 CB ALA A 66 9.996 32.025 13.210 1.00 13.74 C ATOM 0 H ALA A 66 9.335 32.974 10.890 1.00 12.02 H new ATOM 0 HA ALA A 66 8.957 33.846 13.714 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.491 31.948 14.178 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.090 31.418 13.216 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.668 31.666 12.430 1.00 13.74 H new ATOM 1058 N ARG A 67 11.149 35.029 14.008 1.00 15.81 N ATOM 1059 CA ARG A 67 12.369 35.878 14.114 1.00 16.07 C ATOM 1060 C ARG A 67 13.284 35.270 15.182 1.00 14.37 C ATOM 1061 O ARG A 67 13.879 35.965 15.982 1.00 14.43 O ATOM 1062 CB ARG A 67 11.942 37.285 14.540 1.00 15.97 C ATOM 1063 CG ARG A 67 10.967 37.203 15.733 1.00 17.12 C ATOM 1064 CD ARG A 67 11.549 37.941 16.942 1.00 22.31 C ATOM 1065 NE ARG A 67 11.770 39.370 16.595 1.00 23.80 N ATOM 1066 CZ ARG A 67 11.936 40.245 17.544 1.00 23.98 C ATOM 1067 NH1 ARG A 67 11.884 39.867 18.791 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.150 41.497 17.248 1.00 21.50 N ATOM 0 H ARG A 67 10.545 35.048 14.830 1.00 15.81 H new ATOM 0 HA ARG A 67 12.896 35.928 13.161 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.818 37.872 14.816 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.465 37.798 13.705 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.007 37.640 15.458 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.781 36.160 15.989 1.00 17.12 H new ATOM 0 HD2 ARG A 67 10.869 37.863 17.790 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.489 37.480 17.244 1.00 22.31 H new ATOM 0 HE ARG A 67 11.791 39.663 15.618 1.00 23.80 H new ATOM 0 HH11 ARG A 67 11.714 38.888 19.020 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.014 40.550 19.537 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.187 41.791 16.272 1.00 21.50 H new ATOM 0 HH22 ARG A 67 12.280 42.182 17.992 1.00 21.50 H new ATOM 1082 N THR A 68 13.350 33.965 15.225 1.00 13.52 N ATOM 1083 CA THR A 68 14.165 33.266 16.265 1.00 14.97 C ATOM 1084 C THR A 68 15.627 33.055 15.829 1.00 12.85 C ATOM 1085 O THR A 68 15.982 33.172 14.673 1.00 10.80 O ATOM 1086 CB THR A 68 13.521 31.896 16.525 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.411 31.731 15.654 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.049 31.801 17.978 1.00 14.06 C ATOM 0 H THR A 68 12.867 33.345 14.575 1.00 13.52 H new ATOM 0 HA THR A 68 14.182 33.887 17.161 1.00 14.97 H new ATOM 0 HB THR A 68 14.257 31.113 16.342 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.903 30.936 15.919 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.594 30.825 18.150 1.00 14.06 H new ATOM 0 HG22 THR A 68 13.901 31.927 18.646 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.315 32.583 18.174 1.00 14.06 H new ATOM 1096 N VAL A 69 16.458 32.698 16.781 1.00 8.20 N ATOM 1097 CA VAL A 69 17.899 32.415 16.506 1.00 5.92 C ATOM 1098 C VAL A 69 18.133 30.924 16.795 1.00 5.25 C ATOM 1099 O VAL A 69 17.787 30.467 17.861 1.00 5.78 O ATOM 1100 CB VAL A 69 18.773 33.235 17.470 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.226 33.271 16.985 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.241 34.665 17.568 1.00 4.08 C ATOM 0 H VAL A 69 16.188 32.589 17.759 1.00 8.20 H new ATOM 0 HA VAL A 69 18.150 32.670 15.477 1.00 5.92 H new ATOM 0 HB VAL A 69 18.737 32.760 18.451 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.827 33.856 17.681 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.617 32.255 16.932 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.268 33.728 15.996 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.865 35.239 18.253 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.261 35.129 16.582 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.216 34.647 17.939 1.00 4.08 H new ATOM 1112 N PRO A 70 18.684 30.185 15.866 1.00 5.33 N ATOM 1113 CA PRO A 70 19.136 30.671 14.547 1.00 6.04 C ATOM 1114 C PRO A 70 17.973 30.754 13.560 1.00 7.79 C ATOM 1115 O PRO A 70 16.834 30.484 13.880 1.00 7.15 O ATOM 1116 CB PRO A 70 20.073 29.554 14.065 1.00 3.22 C ATOM 1117 CG PRO A 70 19.669 28.279 14.839 1.00 6.88 C ATOM 1118 CD PRO A 70 18.907 28.748 16.085 1.00 6.17 C ATOM 0 HA PRO A 70 19.588 31.661 14.613 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.975 29.403 12.990 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.115 29.811 14.258 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.044 27.633 14.223 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.549 27.699 15.118 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.964 28.213 16.197 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.484 28.570 16.993 1.00 6.17 H new ATOM 1126 N ARG A 71 18.301 31.055 12.339 1.00 6.15 N ATOM 1127 CA ARG A 71 17.296 31.090 11.249 1.00 7.10 C ATOM 1128 C ARG A 71 18.006 30.495 10.028 1.00 4.23 C ATOM 1129 O ARG A 71 18.806 31.140 9.378 1.00 6.47 O ATOM 1130 CB ARG A 71 16.832 32.536 10.979 1.00 10.23 C ATOM 1131 CG ARG A 71 15.373 32.723 11.441 1.00 15.67 C ATOM 1132 CD ARG A 71 14.444 31.788 10.641 1.00 20.29 C ATOM 1133 NE ARG A 71 13.324 31.280 11.501 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.537 30.807 12.698 1.00 19.78 C ATOM 1135 NH1 ARG A 71 14.740 30.731 13.176 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.533 30.383 13.411 1.00 23.53 N ATOM 0 H ARG A 71 19.250 31.284 12.044 1.00 6.15 H new ATOM 0 HA ARG A 71 16.397 30.528 11.502 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.480 33.238 11.504 1.00 10.23 H new ATOM 0 HB3 ARG A 71 16.916 32.760 9.916 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.290 32.508 12.506 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.068 33.760 11.300 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.035 32.322 9.783 1.00 20.29 H new ATOM 0 HD3 ARG A 71 15.017 30.947 10.250 1.00 20.29 H new ATOM 0 HE ARG A 71 12.370 31.305 11.140 1.00 26.05 H new ATOM 0 HH11 ARG A 71 15.532 31.043 12.615 1.00 22.60 H new ATOM 0 HH12 ARG A 71 14.894 30.359 14.113 1.00 22.60 H new ATOM 0 HH21 ARG A 71 11.586 30.422 13.033 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.693 30.012 14.348 1.00 23.53 H new ATOM 1150 N VAL A 72 17.768 29.238 9.766 1.00 4.55 N ATOM 1151 CA VAL A 72 18.479 28.539 8.652 1.00 6.53 C ATOM 1152 C VAL A 72 17.740 28.657 7.317 1.00 8.68 C ATOM 1153 O VAL A 72 16.549 28.897 7.264 1.00 6.48 O ATOM 1154 CB VAL A 72 18.608 27.070 9.032 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.321 26.316 7.914 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.414 26.950 10.331 1.00 3.35 C ATOM 0 H VAL A 72 17.105 28.658 10.280 1.00 4.55 H new ATOM 0 HA VAL A 72 19.454 29.008 8.515 1.00 6.53 H new ATOM 0 HB VAL A 72 17.616 26.642 9.180 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.414 25.264 8.186 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.746 26.403 6.992 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.314 26.741 7.764 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.508 25.899 10.605 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.406 27.377 10.184 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.902 27.489 11.128 1.00 3.35 H new ATOM 1166 N PHE A 73 18.463 28.485 6.230 1.00 5.39 N ATOM 1167 CA PHE A 73 17.839 28.583 4.878 1.00 6.90 C ATOM 1168 C PHE A 73 18.503 27.620 3.886 1.00 7.16 C ATOM 1169 O PHE A 73 19.390 28.014 3.155 1.00 14.07 O ATOM 1170 CB PHE A 73 18.044 29.994 4.326 1.00 6.44 C ATOM 1171 CG PHE A 73 17.133 30.975 5.009 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.553 31.623 6.173 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.879 31.256 4.459 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.718 32.556 6.792 1.00 6.98 C ATOM 1175 CE2 PHE A 73 15.039 32.187 5.080 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.460 32.839 6.247 1.00 7.54 C ATOM 0 H PHE A 73 19.462 28.280 6.228 1.00 5.39 H new ATOM 0 HA PHE A 73 16.783 28.337 4.987 1.00 6.90 H new ATOM 0 HB2 PHE A 73 19.082 30.297 4.467 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.853 30.000 3.253 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.523 31.403 6.594 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.559 30.756 3.557 1.00 12.42 H new ATOM 0 HE1 PHE A 73 17.043 33.059 7.691 1.00 6.98 H new ATOM 0 HE2 PHE A 73 14.067 32.403 4.661 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.814 33.560 6.726 1.00 7.54 H new ATOM 1186 N ILE A 74 18.064 26.395 3.779 1.00 5.91 N ATOM 1187 CA ILE A 74 18.683 25.523 2.742 1.00 7.08 C ATOM 1188 C ILE A 74 18.145 26.062 1.422 1.00 8.52 C ATOM 1189 O ILE A 74 16.949 26.207 1.258 1.00 6.64 O ATOM 1190 CB ILE A 74 18.272 24.052 2.900 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.908 23.442 4.154 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.768 23.273 1.682 1.00 4.80 C ATOM 1193 CD1 ILE A 74 18.688 24.358 5.353 1.00 9.34 C ATOM 0 H ILE A 74 17.328 25.971 4.344 1.00 5.91 H new ATOM 0 HA ILE A 74 19.771 25.543 2.812 1.00 7.08 H new ATOM 0 HB ILE A 74 17.187 23.998 2.988 1.00 6.37 H new ATOM 0 HG12 ILE A 74 18.474 22.462 4.351 1.00 6.27 H new ATOM 0 HG13 ILE A 74 19.975 23.291 3.993 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.483 22.225 1.780 1.00 4.80 H new ATOM 0 HG22 ILE A 74 18.321 23.688 0.778 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.853 23.350 1.618 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.144 23.915 6.238 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.144 25.329 5.158 1.00 9.34 H new ATOM 0 HD13 ILE A 74 17.619 24.486 5.521 1.00 9.34 H new ATOM 1205 N GLY A 75 18.985 26.425 0.500 1.00 9.27 N ATOM 1206 CA GLY A 75 18.440 27.018 -0.750 1.00 9.68 C ATOM 1207 C GLY A 75 17.652 28.264 -0.333 1.00 12.42 C ATOM 1208 O GLY A 75 17.851 28.781 0.749 1.00 11.15 O ATOM 0 H GLY A 75 20.000 26.341 0.552 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.244 27.280 -1.438 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.796 26.307 -1.268 1.00 9.68 H new ATOM 1212 N LYS A 76 16.761 28.757 -1.145 1.00 14.40 N ATOM 1213 CA LYS A 76 15.991 29.966 -0.721 1.00 16.68 C ATOM 1214 C LYS A 76 14.805 29.550 0.162 1.00 16.27 C ATOM 1215 O LYS A 76 14.060 30.381 0.641 1.00 14.00 O ATOM 1216 CB LYS A 76 15.463 30.710 -1.948 1.00 23.46 C ATOM 1217 CG LYS A 76 16.630 31.122 -2.849 1.00 30.10 C ATOM 1218 CD LYS A 76 16.146 32.159 -3.871 1.00 38.66 C ATOM 1219 CE LYS A 76 16.233 33.567 -3.272 1.00 42.17 C ATOM 1220 NZ LYS A 76 16.064 34.580 -4.354 1.00 44.86 N ATOM 0 H LYS A 76 16.533 28.387 -2.068 1.00 14.40 H new ATOM 0 HA LYS A 76 16.656 30.620 -0.157 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.772 30.073 -2.501 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.904 31.592 -1.637 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.438 31.538 -2.248 1.00 30.10 H new ATOM 0 HG3 LYS A 76 17.032 30.249 -3.363 1.00 30.10 H new ATOM 0 HD2 LYS A 76 16.753 32.101 -4.775 1.00 38.66 H new ATOM 0 HD3 LYS A 76 15.118 31.942 -4.163 1.00 38.66 H new ATOM 0 HE2 LYS A 76 15.462 33.699 -2.512 1.00 42.17 H new ATOM 0 HE3 LYS A 76 17.195 33.705 -2.778 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 16.123 35.535 -3.947 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 16.815 34.459 -5.063 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 15.136 34.453 -4.807 1.00 44.86 H new ATOM 1234 N ASP A 77 14.617 28.272 0.376 1.00 0.00 N ATOM 1235 CA ASP A 77 13.470 27.815 1.220 1.00 0.00 C ATOM 1236 C ASP A 77 13.888 27.742 2.694 1.00 0.00 C ATOM 1237 O ASP A 77 14.839 27.073 3.050 1.00 0.00 O ATOM 1238 CB ASP A 77 13.010 26.433 0.748 1.00 0.00 C ATOM 1239 CG ASP A 77 12.262 26.573 -0.580 1.00 0.00 C ATOM 1240 OD1 ASP A 77 12.606 27.465 -1.339 1.00 0.00 O ATOM 1241 OD2 ASP A 77 11.358 25.788 -0.815 1.00 0.00 O ATOM 0 H ASP A 77 15.206 27.527 0.004 1.00 0.00 H new ATOM 0 HA ASP A 77 12.652 28.529 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.869 25.773 0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.362 25.978 1.497 1.00 0.00 H new ATOM 1246 N SER A 78 13.178 28.425 3.553 1.00 0.00 N ATOM 1247 CA SER A 78 13.514 28.403 5.008 1.00 0.00 C ATOM 1248 C SER A 78 13.079 27.073 5.626 1.00 0.00 C ATOM 1249 O SER A 78 12.081 26.499 5.240 1.00 0.00 O ATOM 1250 CB SER A 78 12.778 29.540 5.713 1.00 0.00 C ATOM 1251 OG SER A 78 13.159 29.570 7.082 1.00 0.00 O ATOM 0 H SER A 78 12.373 29.002 3.307 1.00 0.00 H new ATOM 0 HA SER A 78 14.591 28.523 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.015 30.492 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.701 29.400 5.627 1.00 0.00 H new ATOM 0 HG SER A 78 12.689 30.300 7.536 1.00 0.00 H new ATOM 1257 N ILE A 79 13.805 26.593 6.604 1.00 14.84 N ATOM 1258 CA ILE A 79 13.415 25.313 7.268 1.00 16.24 C ATOM 1259 C ILE A 79 12.912 25.626 8.678 1.00 13.64 C ATOM 1260 O ILE A 79 12.194 24.851 9.280 1.00 15.36 O ATOM 1261 CB ILE A 79 14.620 24.371 7.365 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.803 25.085 8.051 1.00 18.59 C ATOM 1263 CG2 ILE A 79 15.036 23.918 5.964 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.535 24.105 8.979 1.00 20.45 C ATOM 0 H ILE A 79 14.650 27.032 6.971 1.00 14.84 H new ATOM 0 HA ILE A 79 12.635 24.828 6.681 1.00 16.24 H new ATOM 0 HB ILE A 79 14.339 23.502 7.959 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.491 25.472 7.300 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.442 25.940 8.622 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.893 23.248 6.038 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.206 23.394 5.490 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.306 24.788 5.365 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.369 24.615 9.461 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.845 23.740 9.740 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.911 23.264 8.396 1.00 20.45 H new ATOM 1276 N GLY A 80 13.284 26.764 9.205 1.00 12.42 N ATOM 1277 CA GLY A 80 12.832 27.146 10.575 1.00 13.73 C ATOM 1278 C GLY A 80 14.033 27.584 11.418 1.00 12.94 C ATOM 1279 O GLY A 80 15.028 28.059 10.905 1.00 13.82 O ATOM 0 H GLY A 80 13.884 27.447 8.743 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.105 27.956 10.515 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.331 26.303 11.050 1.00 13.73 H new ATOM 1283 N GLY A 81 13.942 27.432 12.713 1.00 12.24 N ATOM 1284 CA GLY A 81 15.067 27.843 13.603 1.00 10.24 C ATOM 1285 C GLY A 81 15.921 26.626 13.961 1.00 11.98 C ATOM 1286 O GLY A 81 16.082 25.714 13.175 1.00 12.42 O ATOM 0 H GLY A 81 13.133 27.039 13.194 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.680 28.594 13.105 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.675 28.302 14.510 1.00 10.24 H new ATOM 1290 N SER A 82 16.477 26.610 15.143 1.00 0.00 N ATOM 1291 CA SER A 82 17.329 25.458 15.552 1.00 0.00 C ATOM 1292 C SER A 82 16.463 24.219 15.754 1.00 0.00 C ATOM 1293 O SER A 82 16.620 23.219 15.082 1.00 0.00 O ATOM 1294 CB SER A 82 18.046 25.787 16.862 1.00 0.00 C ATOM 1295 OG SER A 82 18.264 24.590 17.596 1.00 0.00 O ATOM 0 H SER A 82 16.377 27.346 15.843 1.00 0.00 H new ATOM 0 HA SER A 82 18.063 25.266 14.770 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.997 26.278 16.655 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.449 26.484 17.451 1.00 0.00 H new ATOM 0 HG SER A 82 18.725 24.800 18.435 1.00 0.00 H new ATOM 1301 N SER A 83 15.553 24.280 16.681 1.00 0.00 N ATOM 1302 CA SER A 83 14.676 23.108 16.944 1.00 0.00 C ATOM 1303 C SER A 83 14.063 22.632 15.630 1.00 0.00 C ATOM 1304 O SER A 83 13.682 21.487 15.488 1.00 0.00 O ATOM 1305 CB SER A 83 13.570 23.511 17.919 1.00 0.00 C ATOM 1306 OG SER A 83 12.451 22.651 17.743 1.00 0.00 O ATOM 0 H SER A 83 15.377 25.094 17.271 1.00 0.00 H new ATOM 0 HA SER A 83 15.262 22.299 17.381 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.933 23.448 18.945 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.278 24.547 17.747 1.00 0.00 H new ATOM 0 HG SER A 83 11.741 22.906 18.368 1.00 0.00 H new ATOM 1312 N ASP A 84 13.977 23.500 14.666 1.00 12.98 N ATOM 1313 CA ASP A 84 13.404 23.099 13.352 1.00 14.53 C ATOM 1314 C ASP A 84 14.441 22.272 12.587 1.00 11.28 C ATOM 1315 O ASP A 84 14.146 21.223 12.052 1.00 12.09 O ATOM 1316 CB ASP A 84 13.044 24.350 12.552 1.00 17.72 C ATOM 1317 CG ASP A 84 11.956 25.132 13.292 1.00 19.35 C ATOM 1318 OD1 ASP A 84 10.792 24.829 13.087 1.00 27.06 O ATOM 1319 OD2 ASP A 84 12.304 26.023 14.051 1.00 21.94 O ATOM 0 H ASP A 84 14.279 24.472 14.730 1.00 12.98 H new ATOM 0 HA ASP A 84 12.505 22.503 13.505 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.927 24.974 12.416 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.694 24.071 11.558 1.00 17.72 H new ATOM 1324 N LEU A 85 15.655 22.744 12.537 1.00 11.34 N ATOM 1325 CA LEU A 85 16.728 22.000 11.814 1.00 11.04 C ATOM 1326 C LEU A 85 16.812 20.567 12.342 1.00 12.09 C ATOM 1327 O LEU A 85 16.655 19.611 11.609 1.00 11.43 O ATOM 1328 CB LEU A 85 18.071 22.698 12.055 1.00 9.45 C ATOM 1329 CG LEU A 85 19.110 22.220 11.031 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.397 23.033 11.195 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.424 20.735 11.251 1.00 15.31 C ATOM 0 H LEU A 85 15.954 23.619 12.968 1.00 11.34 H new ATOM 0 HA LEU A 85 16.499 21.982 10.749 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.946 23.778 11.980 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.422 22.487 13.065 1.00 9.45 H new ATOM 0 HG LEU A 85 18.707 22.358 10.028 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.136 22.695 10.469 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.184 24.089 11.031 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.789 22.894 12.203 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.162 20.407 10.519 1.00 15.31 H new ATOM 0 HD22 LEU A 85 19.821 20.592 12.256 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.512 20.149 11.135 1.00 15.31 H new ATOM 1343 N VAL A 86 17.082 20.417 13.608 1.00 0.00 N ATOM 1344 CA VAL A 86 17.209 19.048 14.191 1.00 0.00 C ATOM 1345 C VAL A 86 16.002 18.200 13.804 1.00 0.00 C ATOM 1346 O VAL A 86 16.147 17.108 13.298 1.00 0.00 O ATOM 1347 CB VAL A 86 17.291 19.133 15.721 1.00 0.00 C ATOM 1348 CG1 VAL A 86 18.744 18.965 16.177 1.00 0.00 C ATOM 1349 CG2 VAL A 86 16.779 20.495 16.185 1.00 0.00 C ATOM 0 H VAL A 86 17.221 21.183 14.267 1.00 0.00 H new ATOM 0 HA VAL A 86 18.118 18.589 13.801 1.00 0.00 H new ATOM 0 HB VAL A 86 16.680 18.340 16.153 1.00 0.00 H new ATOM 0 HG11 VAL A 86 18.794 19.027 17.264 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.118 17.994 15.851 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.356 19.754 15.741 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.837 20.555 17.272 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.390 21.283 15.745 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.743 20.621 15.870 1.00 0.00 H new ATOM 1359 N SER A 87 14.815 18.682 14.037 1.00 14.12 N ATOM 1360 CA SER A 87 13.615 17.876 13.681 1.00 14.37 C ATOM 1361 C SER A 87 13.799 17.309 12.271 1.00 13.29 C ATOM 1362 O SER A 87 13.383 16.209 11.970 1.00 11.18 O ATOM 1363 CB SER A 87 12.371 18.769 13.724 1.00 13.30 C ATOM 1364 OG SER A 87 12.053 19.070 15.077 1.00 21.79 O ATOM 0 H SER A 87 14.624 19.592 14.455 1.00 14.12 H new ATOM 0 HA SER A 87 13.491 17.058 14.391 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.551 19.689 13.168 1.00 13.30 H new ATOM 0 HB3 SER A 87 11.531 18.265 13.245 1.00 13.30 H new ATOM 0 HG SER A 87 12.540 19.873 15.356 1.00 21.79 H new ATOM 1370 N LEU A 88 14.415 18.063 11.403 1.00 0.00 N ATOM 1371 CA LEU A 88 14.631 17.586 10.007 1.00 0.00 C ATOM 1372 C LEU A 88 15.860 16.668 9.906 1.00 0.00 C ATOM 1373 O LEU A 88 15.853 15.695 9.180 1.00 0.00 O ATOM 1374 CB LEU A 88 14.814 18.797 9.099 1.00 0.00 C ATOM 1375 CG LEU A 88 13.578 19.691 9.209 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.820 20.998 8.454 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.360 18.966 8.617 1.00 0.00 C ATOM 0 H LEU A 88 14.780 18.994 11.601 1.00 0.00 H new ATOM 0 HA LEU A 88 13.762 17.006 9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.707 19.352 9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.956 18.476 8.067 1.00 0.00 H new ATOM 0 HG LEU A 88 13.386 19.913 10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.938 21.633 8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.678 21.513 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.017 20.781 7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.481 19.606 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.547 18.737 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.186 18.040 9.165 1.00 0.00 H new ATOM 1389 N GLN A 89 16.925 16.982 10.595 1.00 0.00 N ATOM 1390 CA GLN A 89 18.153 16.141 10.493 1.00 0.00 C ATOM 1391 C GLN A 89 17.857 14.696 10.902 1.00 0.00 C ATOM 1392 O GLN A 89 18.052 13.775 10.134 1.00 0.00 O ATOM 1393 CB GLN A 89 19.234 16.716 11.408 1.00 0.00 C ATOM 1394 CG GLN A 89 20.598 16.131 11.030 1.00 0.00 C ATOM 1395 CD GLN A 89 21.052 16.705 9.685 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.640 17.767 9.631 1.00 0.00 O ATOM 1397 NE2 GLN A 89 20.804 16.042 8.588 1.00 0.00 N ATOM 0 H GLN A 89 16.998 17.783 11.223 1.00 0.00 H new ATOM 0 HA GLN A 89 18.496 16.146 9.458 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.257 17.802 11.321 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.004 16.484 12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.331 16.365 11.802 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.534 15.045 10.970 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.311 15.150 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.104 16.416 7.687 1.00 0.00 H new ATOM 1406 N GLN A 90 17.403 14.481 12.103 1.00 0.00 N ATOM 1407 CA GLN A 90 17.118 13.091 12.540 1.00 0.00 C ATOM 1408 C GLN A 90 16.013 12.493 11.672 1.00 0.00 C ATOM 1409 O GLN A 90 15.858 11.290 11.589 1.00 0.00 O ATOM 1410 CB GLN A 90 16.699 13.081 14.012 1.00 0.00 C ATOM 1411 CG GLN A 90 15.598 14.113 14.264 1.00 0.00 C ATOM 1412 CD GLN A 90 14.266 13.589 13.731 1.00 0.00 C ATOM 1413 OE1 GLN A 90 13.312 14.435 13.463 1.00 0.00 O flip ATOM 1414 NE2 GLN A 90 14.094 12.400 13.554 1.00 0.00 N flip ATOM 0 H GLN A 90 17.218 15.205 12.797 1.00 0.00 H new ATOM 0 HA GLN A 90 18.020 12.489 12.429 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.345 12.088 14.288 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.561 13.299 14.643 1.00 0.00 H new ATOM 0 HG2 GLN A 90 15.517 14.319 15.331 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.851 15.054 13.776 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.842 11.740 13.764 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.201 12.062 13.195 1.00 0.00 H new ATOM 1423 N SER A 91 15.249 13.320 11.018 1.00 0.00 N ATOM 1424 CA SER A 91 14.159 12.794 10.147 1.00 0.00 C ATOM 1425 C SER A 91 14.731 12.429 8.776 1.00 0.00 C ATOM 1426 O SER A 91 14.194 11.602 8.067 1.00 0.00 O ATOM 1427 CB SER A 91 13.073 13.855 9.981 1.00 0.00 C ATOM 1428 OG SER A 91 12.472 14.117 11.243 1.00 0.00 O ATOM 0 H SER A 91 15.330 14.336 11.047 1.00 0.00 H new ATOM 0 HA SER A 91 13.727 11.906 10.609 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.502 14.770 9.573 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.320 13.513 9.271 1.00 0.00 H new ATOM 0 HG SER A 91 13.077 14.664 11.786 1.00 0.00 H new ATOM 1434 N GLY A 92 15.824 13.033 8.403 1.00 19.34 N ATOM 1435 CA GLY A 92 16.446 12.719 7.081 1.00 19.37 C ATOM 1436 C GLY A 92 15.870 13.634 5.998 1.00 22.29 C ATOM 1437 O GLY A 92 16.360 13.680 4.887 1.00 25.64 O ATOM 0 H GLY A 92 16.317 13.733 8.957 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.527 12.847 7.139 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.262 11.676 6.822 1.00 19.37 H new ATOM 1441 N GLU A 93 14.844 14.371 6.312 1.00 22.54 N ATOM 1442 CA GLU A 93 14.252 15.289 5.303 1.00 24.53 C ATOM 1443 C GLU A 93 15.256 16.411 5.030 1.00 23.48 C ATOM 1444 O GLU A 93 15.302 16.986 3.961 1.00 22.85 O ATOM 1445 CB GLU A 93 12.951 15.876 5.863 1.00 27.50 C ATOM 1446 CG GLU A 93 12.512 17.067 5.011 1.00 36.43 C ATOM 1447 CD GLU A 93 11.046 17.400 5.305 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.184 16.695 4.804 1.00 50.26 O ATOM 1449 OE2 GLU A 93 10.809 18.357 6.024 1.00 42.86 O ATOM 0 H GLU A 93 14.389 14.377 7.225 1.00 22.54 H new ATOM 0 HA GLU A 93 14.032 14.756 4.378 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.171 15.115 5.870 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.098 16.191 6.896 1.00 27.50 H new ATOM 0 HG2 GLU A 93 13.141 17.931 5.225 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.637 16.836 3.953 1.00 36.43 H new ATOM 1456 N LEU A 94 16.056 16.719 6.009 1.00 24.17 N ATOM 1457 CA LEU A 94 17.071 17.798 5.861 1.00 22.19 C ATOM 1458 C LEU A 94 18.052 17.472 4.738 1.00 22.62 C ATOM 1459 O LEU A 94 18.120 18.158 3.736 1.00 21.76 O ATOM 1460 CB LEU A 94 17.845 17.928 7.174 1.00 23.15 C ATOM 1461 CG LEU A 94 18.551 19.288 7.236 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.558 20.381 7.659 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.704 19.218 8.247 1.00 21.18 C ATOM 0 H LEU A 94 16.050 16.262 6.921 1.00 24.17 H new ATOM 0 HA LEU A 94 16.561 18.730 5.618 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.164 17.824 8.019 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.578 17.125 7.255 1.00 23.15 H new ATOM 0 HG LEU A 94 18.944 19.532 6.249 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.070 21.342 7.700 1.00 18.74 H new ATOM 0 HD12 LEU A 94 16.745 20.434 6.935 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.153 20.144 8.643 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.207 20.184 8.292 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.310 18.968 9.232 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.415 18.453 7.936 1.00 21.18 H new ATOM 1475 N LEU A 95 18.832 16.444 4.907 1.00 0.00 N ATOM 1476 CA LEU A 95 19.829 16.103 3.860 1.00 0.00 C ATOM 1477 C LEU A 95 19.108 15.968 2.532 1.00 0.00 C ATOM 1478 O LEU A 95 19.659 16.220 1.478 1.00 0.00 O ATOM 1479 CB LEU A 95 20.541 14.797 4.244 1.00 0.00 C ATOM 1480 CG LEU A 95 19.824 13.558 3.673 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.396 13.216 2.290 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.045 12.364 4.614 1.00 0.00 C ATOM 0 H LEU A 95 18.822 15.828 5.720 1.00 0.00 H new ATOM 0 HA LEU A 95 20.582 16.886 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.567 14.823 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.592 14.718 5.330 1.00 0.00 H new ATOM 0 HG LEU A 95 18.759 13.771 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.885 12.339 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.248 14.060 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.462 13.006 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.539 11.486 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.112 12.160 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.641 12.597 5.599 1.00 0.00 H new ATOM 1494 N THR A 96 17.869 15.599 2.582 1.00 15.75 N ATOM 1495 CA THR A 96 17.090 15.471 1.325 1.00 17.89 C ATOM 1496 C THR A 96 16.952 16.854 0.692 1.00 14.96 C ATOM 1497 O THR A 96 17.203 17.033 -0.481 1.00 17.84 O ATOM 1498 CB THR A 96 15.704 14.880 1.618 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.767 13.465 1.504 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.671 15.424 0.621 1.00 28.03 C ATOM 0 H THR A 96 17.358 15.379 3.437 1.00 15.75 H new ATOM 0 HA THR A 96 17.607 14.802 0.637 1.00 17.89 H new ATOM 0 HB THR A 96 15.403 15.161 2.627 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.885 13.082 1.692 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.693 14.996 0.841 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.620 16.509 0.706 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.966 15.153 -0.393 1.00 28.03 H new ATOM 1508 N ARG A 97 16.565 17.842 1.457 1.00 12.39 N ATOM 1509 CA ARG A 97 16.428 19.201 0.868 1.00 13.82 C ATOM 1510 C ARG A 97 17.793 19.612 0.323 1.00 14.98 C ATOM 1511 O ARG A 97 17.901 20.281 -0.683 1.00 16.48 O ATOM 1512 CB ARG A 97 15.971 20.197 1.951 1.00 18.70 C ATOM 1513 CG ARG A 97 14.683 20.923 1.505 1.00 27.27 C ATOM 1514 CD ARG A 97 14.582 22.309 2.170 1.00 36.05 C ATOM 1515 NE ARG A 97 14.543 23.375 1.117 1.00 38.76 N ATOM 1516 CZ ARG A 97 15.388 23.369 0.118 1.00 40.02 C ATOM 1517 NH1 ARG A 97 16.326 22.466 0.050 1.00 39.86 N ATOM 1518 NH2 ARG A 97 15.299 24.276 -0.814 1.00 40.96 N ATOM 0 H ARG A 97 16.342 17.766 2.449 1.00 12.39 H new ATOM 0 HA ARG A 97 15.686 19.199 0.070 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.793 19.669 2.888 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.760 20.925 2.141 1.00 18.70 H new ATOM 0 HG2 ARG A 97 14.678 21.033 0.421 1.00 27.27 H new ATOM 0 HG3 ARG A 97 13.812 20.323 1.768 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.685 22.362 2.788 1.00 36.05 H new ATOM 0 HD3 ARG A 97 15.434 22.469 2.831 1.00 36.05 H new ATOM 0 HE ARG A 97 13.846 24.117 1.180 1.00 38.76 H new ATOM 0 HH11 ARG A 97 16.405 21.757 0.779 1.00 39.86 H new ATOM 0 HH12 ARG A 97 16.981 22.469 -0.732 1.00 39.86 H new ATOM 0 HH21 ARG A 97 14.571 24.989 -0.764 1.00 40.96 H new ATOM 0 HH22 ARG A 97 15.957 24.273 -1.593 1.00 40.96 H new ATOM 1532 N LEU A 98 18.837 19.192 0.975 1.00 12.44 N ATOM 1533 CA LEU A 98 20.199 19.520 0.497 1.00 12.45 C ATOM 1534 C LEU A 98 20.458 18.735 -0.791 1.00 14.25 C ATOM 1535 O LEU A 98 21.093 19.208 -1.713 1.00 12.19 O ATOM 1536 CB LEU A 98 21.214 19.088 1.563 1.00 13.23 C ATOM 1537 CG LEU A 98 21.330 20.149 2.666 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.106 20.088 3.581 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.586 19.875 3.496 1.00 15.05 C ATOM 0 H LEU A 98 18.802 18.631 1.826 1.00 12.44 H new ATOM 0 HA LEU A 98 20.293 20.590 0.311 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.909 18.136 1.998 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.188 18.929 1.101 1.00 13.23 H new ATOM 0 HG LEU A 98 21.390 21.136 2.208 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.197 20.844 4.361 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.205 20.275 2.997 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.043 19.101 4.039 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.674 20.626 4.281 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.516 18.885 3.946 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.464 19.919 2.852 1.00 15.05 H new ATOM 1551 N LYS A 99 19.981 17.522 -0.833 1.00 0.00 N ATOM 1552 CA LYS A 99 20.194 16.651 -2.025 1.00 0.00 C ATOM 1553 C LYS A 99 19.492 17.212 -3.268 1.00 0.00 C ATOM 1554 O LYS A 99 20.113 17.435 -4.288 1.00 0.00 O ATOM 1555 CB LYS A 99 19.644 15.254 -1.725 1.00 0.00 C ATOM 1556 CG LYS A 99 20.033 14.278 -2.847 1.00 0.00 C ATOM 1557 CD LYS A 99 21.394 13.647 -2.533 1.00 0.00 C ATOM 1558 CE LYS A 99 21.806 12.720 -3.679 1.00 0.00 C ATOM 1559 NZ LYS A 99 20.773 11.660 -3.858 1.00 0.00 N ATOM 0 H LYS A 99 19.444 17.090 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 99 21.264 16.609 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 99 20.035 14.898 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.559 15.295 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.275 13.501 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.076 14.804 -3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 99 22.144 14.426 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 99 21.340 13.086 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.919 13.292 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.774 12.267 -3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.170 10.879 -4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.478 11.302 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.950 12.058 -4.353 1.00 0.00 H new ATOM 1573 N GLN A 100 18.200 17.403 -3.213 1.00 18.17 N ATOM 1574 CA GLN A 100 17.473 17.900 -4.418 1.00 18.02 C ATOM 1575 C GLN A 100 18.184 19.113 -5.030 1.00 18.05 C ATOM 1576 O GLN A 100 18.101 19.337 -6.222 1.00 19.19 O ATOM 1577 CB GLN A 100 16.025 18.265 -4.060 1.00 20.45 C ATOM 1578 CG GLN A 100 15.919 18.649 -2.582 1.00 29.25 C ATOM 1579 CD GLN A 100 14.769 19.642 -2.397 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.730 20.670 -3.043 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.825 19.374 -1.538 1.00 38.64 N ATOM 0 H GLN A 100 17.620 17.237 -2.391 1.00 18.17 H new ATOM 0 HA GLN A 100 17.464 17.099 -5.157 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.688 19.094 -4.682 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.368 17.421 -4.271 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.748 17.760 -1.975 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.855 19.092 -2.242 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.859 18.511 -0.996 1.00 38.64 H new ATOM 0 HE22 GLN A 100 13.053 20.028 -1.408 1.00 38.64 H new ATOM 1590 N ILE A 101 18.888 19.892 -4.252 1.00 0.00 N ATOM 1591 CA ILE A 101 19.596 21.070 -4.838 1.00 0.00 C ATOM 1592 C ILE A 101 21.088 20.754 -4.954 1.00 0.00 C ATOM 1593 O ILE A 101 21.806 21.368 -5.716 1.00 0.00 O ATOM 1594 CB ILE A 101 19.400 22.301 -3.953 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.916 22.004 -2.546 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.914 22.667 -3.893 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.570 23.174 -1.624 1.00 0.00 C ATOM 0 H ILE A 101 19.004 19.767 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 101 19.184 21.279 -5.825 1.00 0.00 H new ATOM 0 HB ILE A 101 19.956 23.139 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.469 21.084 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.995 21.849 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.781 23.545 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.552 22.885 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.350 21.832 -3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.937 22.966 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 101 20.038 24.084 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.489 23.307 -1.595 1.00 0.00 H new ATOM 1609 N GLY A 102 21.553 19.786 -4.215 1.00 11.15 N ATOM 1610 CA GLY A 102 22.995 19.410 -4.291 1.00 12.21 C ATOM 1611 C GLY A 102 23.825 20.293 -3.360 1.00 14.73 C ATOM 1612 O GLY A 102 24.902 20.734 -3.705 1.00 18.54 O ATOM 0 H GLY A 102 20.997 19.237 -3.560 1.00 11.15 H new ATOM 0 HA2 GLY A 102 23.119 18.363 -4.016 1.00 12.21 H new ATOM 0 HA3 GLY A 102 23.351 19.515 -5.316 1.00 12.21 H new ATOM 1616 N ALA A 103 23.339 20.550 -2.181 1.00 10.84 N ATOM 1617 CA ALA A 103 24.111 21.402 -1.231 1.00 9.88 C ATOM 1618 C ALA A 103 25.119 20.535 -0.473 1.00 9.21 C ATOM 1619 O ALA A 103 26.027 21.032 0.163 1.00 7.47 O ATOM 1620 CB ALA A 103 23.156 22.054 -0.233 1.00 4.30 C ATOM 0 H ALA A 103 22.443 20.209 -1.832 1.00 10.84 H new ATOM 0 HA ALA A 103 24.638 22.176 -1.788 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.723 22.676 0.460 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.436 22.672 -0.769 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.627 21.280 0.323 1.00 4.30 H new ATOM 1626 N LEU A 104 24.965 19.243 -0.542 1.00 0.00 N ATOM 1627 CA LEU A 104 25.908 18.330 0.166 1.00 0.00 C ATOM 1628 C LEU A 104 27.003 17.881 -0.803 1.00 0.00 C ATOM 1629 O LEU A 104 27.055 18.312 -1.938 1.00 0.00 O ATOM 1630 CB LEU A 104 25.144 17.106 0.694 1.00 0.00 C ATOM 1631 CG LEU A 104 24.858 16.107 -0.436 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.972 14.979 0.099 1.00 0.00 C ATOM 1633 CD2 LEU A 104 24.132 16.812 -1.586 1.00 0.00 C ATOM 0 H LEU A 104 24.222 18.776 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 104 26.363 18.855 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.726 16.619 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.206 17.426 1.147 1.00 0.00 H new ATOM 0 HG LEU A 104 25.801 15.700 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.767 14.267 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.484 14.470 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 104 23.033 15.396 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.933 16.096 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 104 23.190 17.223 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.756 17.619 -1.970 1.00 0.00 H new ATOM 1645 N GLN A 105 27.879 17.016 -0.369 1.00 0.00 N ATOM 1646 CA GLN A 105 28.965 16.542 -1.271 1.00 0.00 C ATOM 1647 C GLN A 105 28.417 15.469 -2.215 1.00 0.00 C ATOM 1648 O GLN A 105 27.569 15.798 -3.028 1.00 0.00 O ATOM 1649 CB GLN A 105 30.100 15.950 -0.433 1.00 0.00 C ATOM 1650 CG GLN A 105 30.830 17.068 0.319 1.00 0.00 C ATOM 1651 CD GLN A 105 32.228 16.592 0.718 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.412 15.449 1.088 1.00 0.00 O ATOM 1653 NE2 GLN A 105 33.228 17.427 0.657 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.853 14.334 -2.106 1.00 0.00 O ATOM 0 H GLN A 105 27.889 16.618 0.570 1.00 0.00 H new ATOM 0 HA GLN A 105 29.342 17.381 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.701 15.224 0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.799 15.416 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.903 17.955 -0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 105 30.265 17.352 1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 105 33.073 18.386 0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 105 34.165 17.121 0.920 1.00 0.00 H new