USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.854 K(o=1.5,f=-0.53) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.609 K(o=1.5,f=-0.41) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.202 K(o=2.7,f=1.1) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 165:sc= 2.48 (180deg=2.35) USER MOD Set 3.1: A 7 THR OG1 : rot -78:sc= 1.16 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -146:sc= 2.16 (180deg=-0.195) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.945 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000844) USER MOD Single : A 1 MET N :NH3+ -165:sc= 2.19 (180deg=1.89) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.131 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 20:sc= 0.362 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.68) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0182 (180deg=-0.172) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.954 K(o=0.95,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.987 K(o=0.99,f=-3.8!) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.02 USER MOD Single : A 57 SER OG : rot 44:sc= 0.872 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0433 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.082 52.253 19.110 1.00 0.00 N ATOM 2 CA MET A 1 33.308 52.456 20.550 1.00 0.00 C ATOM 3 C MET A 1 34.800 52.673 20.810 1.00 0.00 C ATOM 4 O MET A 1 35.626 52.172 20.050 1.00 0.00 O ATOM 5 CB MET A 1 32.751 51.332 21.420 1.00 0.00 C ATOM 6 CG MET A 1 33.600 50.068 21.511 1.00 0.00 C ATOM 7 SD MET A 1 32.923 48.790 22.600 1.00 0.00 S ATOM 8 CE MET A 1 34.263 47.573 22.592 1.00 0.00 C ATOM 0 H1 MET A 1 32.069 52.359 18.899 1.00 0.00 H new ATOM 0 H2 MET A 1 33.624 52.958 18.571 1.00 0.00 H new ATOM 0 H3 MET A 1 33.393 51.298 18.841 1.00 0.00 H new ATOM 0 HA MET A 1 32.752 53.347 20.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.604 51.720 22.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.768 51.058 21.038 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.718 49.651 20.511 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.596 50.338 21.863 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.982 46.718 23.207 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.446 47.240 21.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.169 48.027 22.994 1.00 0.00 H new ATOM 20 N GLN A 2 35.143 53.366 21.893 1.00 0.00 N ATOM 21 CA GLN A 2 36.518 53.574 22.296 1.00 0.00 C ATOM 22 C GLN A 2 36.957 52.618 23.409 1.00 0.00 C ATOM 23 O GLN A 2 36.194 52.344 24.333 1.00 0.00 O ATOM 24 CB GLN A 2 36.793 55.041 22.608 1.00 0.00 C ATOM 25 CG GLN A 2 35.945 55.668 23.712 1.00 0.00 C ATOM 26 CD GLN A 2 36.417 57.087 24.038 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.826 57.391 25.156 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.353 58.016 23.088 1.00 0.00 N ATOM 0 H GLN A 2 34.463 53.800 22.517 1.00 0.00 H new ATOM 0 HA GLN A 2 37.148 53.320 21.443 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.843 55.141 22.884 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.647 55.618 21.695 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.900 55.692 23.402 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.997 55.050 24.609 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.015 57.771 22.157 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.642 58.973 23.290 1.00 0.00 H new ATOM 37 N ILE A 3 38.201 52.157 23.333 1.00 0.00 N ATOM 38 CA ILE A 3 38.891 51.461 24.400 1.00 0.00 C ATOM 39 C ILE A 3 40.286 52.059 24.598 1.00 0.00 C ATOM 40 O ILE A 3 40.840 52.674 23.691 1.00 0.00 O ATOM 41 CB ILE A 3 38.961 49.950 24.193 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.778 49.559 22.964 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.561 49.344 24.200 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.079 48.066 22.864 1.00 0.00 C ATOM 0 H ILE A 3 38.772 52.264 22.495 1.00 0.00 H new ATOM 0 HA ILE A 3 38.304 51.606 25.307 1.00 0.00 H new ATOM 0 HB ILE A 3 39.504 49.523 25.036 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.240 49.871 22.069 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.719 50.108 22.977 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.630 48.266 24.051 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.081 49.548 25.157 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.970 49.784 23.397 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.662 47.872 21.964 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.646 47.750 23.739 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.143 47.509 22.817 1.00 0.00 H new ATOM 56 N PHE A 4 40.861 51.849 25.779 1.00 0.00 N ATOM 57 CA PHE A 4 42.141 52.416 26.155 1.00 0.00 C ATOM 58 C PHE A 4 43.212 51.330 26.283 1.00 0.00 C ATOM 59 O PHE A 4 43.009 50.328 26.965 1.00 0.00 O ATOM 60 CB PHE A 4 41.970 53.208 27.448 1.00 0.00 C ATOM 61 CG PHE A 4 40.800 54.163 27.481 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.680 55.171 26.516 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.826 54.046 28.480 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.593 56.053 26.546 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.752 54.944 28.527 1.00 0.00 C ATOM 66 CZ PHE A 4 38.627 55.941 27.553 1.00 0.00 C ATOM 0 H PHE A 4 40.441 51.272 26.507 1.00 0.00 H new ATOM 0 HA PHE A 4 42.485 53.093 25.373 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.864 52.503 28.273 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.883 53.775 27.629 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.430 55.268 25.745 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.903 53.260 29.217 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.500 56.820 25.792 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.019 54.867 29.316 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.789 56.621 27.578 1.00 0.00 H new ATOM 76 N VAL A 5 44.363 51.536 25.649 1.00 0.00 N ATOM 77 CA VAL A 5 45.493 50.630 25.699 1.00 0.00 C ATOM 78 C VAL A 5 46.681 51.337 26.355 1.00 0.00 C ATOM 79 O VAL A 5 47.118 52.379 25.872 1.00 0.00 O ATOM 80 CB VAL A 5 45.855 50.086 24.320 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.033 49.119 24.386 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.673 49.342 23.705 1.00 0.00 C ATOM 0 H VAL A 5 44.534 52.360 25.073 1.00 0.00 H new ATOM 0 HA VAL A 5 45.216 49.765 26.302 1.00 0.00 H new ATOM 0 HB VAL A 5 46.125 50.947 23.708 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.260 48.754 23.385 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.904 49.634 24.791 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.777 48.278 25.030 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.953 48.963 22.722 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.393 48.509 24.349 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.828 50.023 23.604 1.00 0.00 H new ATOM 92 N LYS A 6 47.218 50.768 27.430 1.00 0.00 N ATOM 93 CA LYS A 6 48.449 51.217 28.048 1.00 0.00 C ATOM 94 C LYS A 6 49.660 50.533 27.412 1.00 0.00 C ATOM 95 O LYS A 6 49.737 49.306 27.356 1.00 0.00 O ATOM 96 CB LYS A 6 48.407 51.048 29.564 1.00 0.00 C ATOM 97 CG LYS A 6 47.591 52.173 30.192 1.00 0.00 C ATOM 98 CD LYS A 6 47.692 52.143 31.715 1.00 0.00 C ATOM 99 CE LYS A 6 47.100 53.380 32.384 1.00 0.00 C ATOM 100 NZ LYS A 6 47.863 54.594 32.054 1.00 0.00 N ATOM 0 H LYS A 6 46.797 49.967 27.901 1.00 0.00 H new ATOM 0 HA LYS A 6 48.554 52.286 27.862 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.968 50.083 29.819 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.420 51.054 29.967 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.945 53.134 29.820 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.547 52.080 29.892 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.180 51.256 32.089 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.740 52.050 32.001 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.064 53.504 32.068 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.089 53.239 33.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.857 55.240 32.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.844 54.336 31.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.428 55.065 31.235 1.00 0.00 H new ATOM 114 N THR A 7 50.592 51.352 26.934 1.00 0.00 N ATOM 115 CA THR A 7 51.853 50.988 26.321 1.00 0.00 C ATOM 116 C THR A 7 52.825 50.338 27.307 1.00 0.00 C ATOM 117 O THR A 7 52.575 50.314 28.510 1.00 0.00 O ATOM 118 CB THR A 7 52.503 52.231 25.721 1.00 0.00 C ATOM 119 OG1 THR A 7 52.728 53.192 26.728 1.00 0.00 O ATOM 120 CG2 THR A 7 51.663 52.860 24.613 1.00 0.00 C ATOM 0 H THR A 7 50.470 52.364 26.971 1.00 0.00 H new ATOM 0 HA THR A 7 51.634 50.252 25.547 1.00 0.00 H new ATOM 0 HB THR A 7 53.447 51.909 25.280 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.886 53.646 26.941 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.175 53.740 24.224 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.521 52.137 23.809 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.692 53.152 25.014 1.00 0.00 H new ATOM 128 N LEU A 8 53.966 49.846 26.831 1.00 0.00 N ATOM 129 CA LEU A 8 55.004 49.304 27.685 1.00 0.00 C ATOM 130 C LEU A 8 55.620 50.329 28.640 1.00 0.00 C ATOM 131 O LEU A 8 56.195 49.922 29.646 1.00 0.00 O ATOM 132 CB LEU A 8 56.076 48.621 26.841 1.00 0.00 C ATOM 133 CG LEU A 8 55.825 47.133 26.620 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.714 46.601 25.499 1.00 0.00 C ATOM 135 CD2 LEU A 8 56.142 46.326 27.876 1.00 0.00 C ATOM 0 H LEU A 8 54.192 49.815 25.837 1.00 0.00 H new ATOM 0 HA LEU A 8 54.523 48.566 28.327 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.136 49.118 25.873 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.044 48.749 27.325 1.00 0.00 H new ATOM 0 HG LEU A 8 54.771 47.024 26.362 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.521 45.538 25.355 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.495 47.137 24.576 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.761 46.747 25.764 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.953 45.269 27.687 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.190 46.465 28.143 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.510 46.666 28.696 1.00 0.00 H new ATOM 147 N THR A 9 55.454 51.626 28.400 1.00 0.00 N ATOM 148 CA THR A 9 55.853 52.706 29.280 1.00 0.00 C ATOM 149 C THR A 9 54.701 53.266 30.116 1.00 0.00 C ATOM 150 O THR A 9 54.775 54.379 30.633 1.00 0.00 O ATOM 151 CB THR A 9 56.592 53.817 28.539 1.00 0.00 C ATOM 152 OG1 THR A 9 55.717 54.575 27.734 1.00 0.00 O ATOM 153 CG2 THR A 9 57.701 53.320 27.618 1.00 0.00 C ATOM 0 H THR A 9 55.016 51.963 27.543 1.00 0.00 H new ATOM 0 HA THR A 9 56.554 52.257 29.983 1.00 0.00 H new ATOM 0 HB THR A 9 57.030 54.415 29.338 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.222 55.279 27.275 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.176 54.170 27.129 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.443 52.776 28.203 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.277 52.658 26.863 1.00 0.00 H new ATOM 161 N GLY A 10 53.597 52.531 30.223 1.00 0.00 N ATOM 162 CA GLY A 10 52.434 52.863 31.020 1.00 0.00 C ATOM 163 C GLY A 10 51.521 53.949 30.447 1.00 0.00 C ATOM 164 O GLY A 10 50.370 54.052 30.867 1.00 0.00 O ATOM 0 H GLY A 10 53.491 51.645 29.729 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.844 51.957 31.163 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.772 53.182 32.006 1.00 0.00 H new ATOM 168 N LYS A 11 51.986 54.722 29.470 1.00 0.00 N ATOM 169 CA LYS A 11 51.246 55.788 28.826 1.00 0.00 C ATOM 170 C LYS A 11 50.087 55.218 28.005 1.00 0.00 C ATOM 171 O LYS A 11 50.252 54.188 27.357 1.00 0.00 O ATOM 172 CB LYS A 11 52.218 56.611 27.985 1.00 0.00 C ATOM 173 CG LYS A 11 51.607 57.872 27.379 1.00 0.00 C ATOM 174 CD LYS A 11 52.695 58.706 26.711 1.00 0.00 C ATOM 175 CE LYS A 11 52.102 59.962 26.078 1.00 0.00 C ATOM 176 NZ LYS A 11 53.153 60.820 25.510 1.00 0.00 N ATOM 0 H LYS A 11 52.928 54.613 29.094 1.00 0.00 H new ATOM 0 HA LYS A 11 50.795 56.446 29.569 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.068 56.895 28.606 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.605 55.985 27.181 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.844 57.602 26.649 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.113 58.457 28.155 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.449 58.985 27.447 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.199 58.112 25.948 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.397 59.680 25.296 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.540 60.519 26.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.720 61.666 25.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.811 61.108 26.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.673 60.294 24.778 1.00 0.00 H new ATOM 190 N THR A 12 48.929 55.873 28.016 1.00 0.00 N ATOM 191 CA THR A 12 47.718 55.381 27.391 1.00 0.00 C ATOM 192 C THR A 12 47.510 55.933 25.980 1.00 0.00 C ATOM 193 O THR A 12 47.785 57.105 25.739 1.00 0.00 O ATOM 194 CB THR A 12 46.491 55.692 28.244 1.00 0.00 C ATOM 195 OG1 THR A 12 46.740 55.538 29.623 1.00 0.00 O ATOM 196 CG2 THR A 12 45.316 54.766 27.947 1.00 0.00 C ATOM 0 H THR A 12 48.810 56.778 28.471 1.00 0.00 H new ATOM 0 HA THR A 12 47.842 54.301 27.310 1.00 0.00 H new ATOM 0 HB THR A 12 46.255 56.726 27.992 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.927 55.749 30.128 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.472 55.034 28.583 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.028 54.867 26.900 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.607 53.734 28.145 1.00 0.00 H new ATOM 204 N ILE A 13 46.954 55.121 25.085 1.00 0.00 N ATOM 205 CA ILE A 13 46.385 55.511 23.811 1.00 0.00 C ATOM 206 C ILE A 13 44.919 55.081 23.715 1.00 0.00 C ATOM 207 O ILE A 13 44.524 54.089 24.322 1.00 0.00 O ATOM 208 CB ILE A 13 47.188 54.988 22.624 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.219 53.465 22.537 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.584 55.606 22.622 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.852 52.909 21.265 1.00 0.00 C ATOM 0 H ILE A 13 46.888 54.116 25.245 1.00 0.00 H new ATOM 0 HA ILE A 13 46.432 56.599 23.764 1.00 0.00 H new ATOM 0 HB ILE A 13 46.673 55.304 21.717 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.765 53.077 23.397 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.198 53.090 22.612 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.149 55.226 21.771 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.502 56.690 22.548 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.099 55.343 23.546 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.829 51.820 21.293 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.295 53.261 20.397 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.885 53.248 21.195 1.00 0.00 H new ATOM 223 N THR A 14 44.122 55.792 22.924 1.00 0.00 N ATOM 224 CA THR A 14 42.729 55.484 22.665 1.00 0.00 C ATOM 225 C THR A 14 42.563 54.883 21.268 1.00 0.00 C ATOM 226 O THR A 14 43.013 55.474 20.289 1.00 0.00 O ATOM 227 CB THR A 14 41.850 56.721 22.830 1.00 0.00 C ATOM 228 OG1 THR A 14 42.013 57.258 24.124 1.00 0.00 O ATOM 229 CG2 THR A 14 40.364 56.407 22.688 1.00 0.00 C ATOM 0 H THR A 14 44.443 56.625 22.431 1.00 0.00 H new ATOM 0 HA THR A 14 42.405 54.746 23.399 1.00 0.00 H new ATOM 0 HB THR A 14 42.159 57.415 22.048 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.368 56.842 24.734 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.785 57.322 22.814 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.173 55.990 21.699 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.071 55.684 23.449 1.00 0.00 H new ATOM 237 N LEU A 15 41.905 53.732 21.160 1.00 0.00 N ATOM 238 CA LEU A 15 41.621 53.051 19.913 1.00 0.00 C ATOM 239 C LEU A 15 40.134 53.105 19.554 1.00 0.00 C ATOM 240 O LEU A 15 39.291 53.304 20.427 1.00 0.00 O ATOM 241 CB LEU A 15 42.081 51.597 19.986 1.00 0.00 C ATOM 242 CG LEU A 15 43.551 51.355 20.313 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.828 49.856 20.242 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.519 52.050 19.361 1.00 0.00 C ATOM 0 H LEU A 15 41.544 53.234 21.974 1.00 0.00 H new ATOM 0 HA LEU A 15 42.172 53.571 19.129 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.478 51.087 20.737 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.864 51.124 19.028 1.00 0.00 H new ATOM 0 HG LEU A 15 43.717 51.769 21.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.876 49.668 20.474 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.198 49.335 20.963 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.608 49.492 19.238 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.544 51.830 19.659 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.352 51.691 18.346 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.354 53.127 19.397 1.00 0.00 H new ATOM 256 N GLU A 16 39.798 52.881 18.287 1.00 0.00 N ATOM 257 CA GLU A 16 38.442 52.740 17.796 1.00 0.00 C ATOM 258 C GLU A 16 38.152 51.295 17.385 1.00 0.00 C ATOM 259 O GLU A 16 38.846 50.731 16.543 1.00 0.00 O ATOM 260 CB GLU A 16 38.211 53.726 16.654 1.00 0.00 C ATOM 261 CG GLU A 16 36.781 53.744 16.122 1.00 0.00 C ATOM 262 CD GLU A 16 35.728 54.095 17.175 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.977 54.973 18.030 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.624 53.510 17.129 1.00 0.00 O ATOM 0 H GLU A 16 40.496 52.790 17.549 1.00 0.00 H new ATOM 0 HA GLU A 16 37.740 52.977 18.596 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.472 54.728 16.995 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.888 53.482 15.836 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.717 54.464 15.306 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.548 52.765 15.703 1.00 0.00 H new ATOM 271 N VAL A 17 37.149 50.688 18.012 1.00 0.00 N ATOM 272 CA VAL A 17 36.793 49.286 17.926 1.00 0.00 C ATOM 273 C VAL A 17 35.277 49.099 18.000 1.00 0.00 C ATOM 274 O VAL A 17 34.534 50.053 18.222 1.00 0.00 O ATOM 275 CB VAL A 17 37.475 48.489 19.035 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.999 48.515 18.953 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.053 48.958 20.424 1.00 0.00 C ATOM 0 H VAL A 17 36.525 51.202 18.634 1.00 0.00 H new ATOM 0 HA VAL A 17 37.138 48.913 16.962 1.00 0.00 H new ATOM 0 HB VAL A 17 37.142 47.463 18.877 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.417 47.929 19.771 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.319 48.091 18.002 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.350 49.544 19.028 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.564 48.362 21.180 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.318 50.008 20.550 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.975 48.840 20.536 1.00 0.00 H new ATOM 287 N GLU A 18 34.788 47.868 17.889 1.00 0.00 N ATOM 288 CA GLU A 18 33.441 47.462 18.235 1.00 0.00 C ATOM 289 C GLU A 18 33.486 46.195 19.091 1.00 0.00 C ATOM 290 O GLU A 18 34.516 45.524 19.097 1.00 0.00 O ATOM 291 CB GLU A 18 32.613 47.237 16.973 1.00 0.00 C ATOM 292 CG GLU A 18 32.310 48.484 16.148 1.00 0.00 C ATOM 293 CD GLU A 18 31.462 49.524 16.884 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.847 50.713 16.916 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.379 49.190 17.410 1.00 0.00 O ATOM 0 H GLU A 18 35.352 47.094 17.538 1.00 0.00 H new ATOM 0 HA GLU A 18 32.966 48.255 18.812 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.138 46.523 16.339 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.668 46.774 17.258 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.250 48.945 15.845 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.792 48.187 15.236 1.00 0.00 H new ATOM 302 N PRO A 19 32.441 45.812 19.820 1.00 0.00 N ATOM 303 CA PRO A 19 32.445 44.637 20.669 1.00 0.00 C ATOM 304 C PRO A 19 32.832 43.327 19.980 1.00 0.00 C ATOM 305 O PRO A 19 33.443 42.469 20.613 1.00 0.00 O ATOM 306 CB PRO A 19 31.038 44.545 21.253 1.00 0.00 C ATOM 307 CG PRO A 19 30.607 46.007 21.317 1.00 0.00 C ATOM 308 CD PRO A 19 31.239 46.586 20.054 1.00 0.00 C ATOM 0 HA PRO A 19 33.221 44.760 21.424 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.375 43.954 20.621 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.038 44.079 22.238 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.522 46.112 21.314 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.973 46.500 22.218 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.557 46.513 19.207 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.474 47.642 20.184 1.00 0.00 H new ATOM 316 N SER A 20 32.493 43.169 18.704 1.00 0.00 N ATOM 317 CA SER A 20 32.846 42.029 17.883 1.00 0.00 C ATOM 318 C SER A 20 34.218 42.130 17.216 1.00 0.00 C ATOM 319 O SER A 20 34.580 41.248 16.438 1.00 0.00 O ATOM 320 CB SER A 20 31.789 41.780 16.811 1.00 0.00 C ATOM 321 OG SER A 20 30.497 41.685 17.367 1.00 0.00 O ATOM 0 H SER A 20 31.942 43.863 18.199 1.00 0.00 H new ATOM 0 HA SER A 20 32.893 41.191 18.578 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.813 42.589 16.081 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.023 40.860 16.275 1.00 0.00 H new ATOM 0 HG SER A 20 29.844 41.527 16.653 1.00 0.00 H new ATOM 327 N ASP A 21 34.993 43.183 17.463 1.00 0.00 N ATOM 328 CA ASP A 21 36.287 43.375 16.841 1.00 0.00 C ATOM 329 C ASP A 21 37.308 42.382 17.401 1.00 0.00 C ATOM 330 O ASP A 21 37.404 42.172 18.608 1.00 0.00 O ATOM 331 CB ASP A 21 36.736 44.828 16.960 1.00 0.00 C ATOM 332 CG ASP A 21 37.796 45.240 15.937 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.832 44.647 14.836 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.520 46.233 16.162 1.00 0.00 O ATOM 0 H ASP A 21 34.732 43.930 18.107 1.00 0.00 H new ATOM 0 HA ASP A 21 36.204 43.166 15.774 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.867 45.476 16.848 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.130 44.994 17.963 1.00 0.00 H new ATOM 339 N THR A 22 38.048 41.733 16.506 1.00 0.00 N ATOM 340 CA THR A 22 38.982 40.677 16.841 1.00 0.00 C ATOM 341 C THR A 22 40.322 41.226 17.335 1.00 0.00 C ATOM 342 O THR A 22 40.794 42.261 16.870 1.00 0.00 O ATOM 343 CB THR A 22 39.135 39.709 15.671 1.00 0.00 C ATOM 344 OG1 THR A 22 39.693 38.496 16.124 1.00 0.00 O ATOM 345 CG2 THR A 22 40.042 40.197 14.544 1.00 0.00 C ATOM 0 H THR A 22 38.010 41.936 15.507 1.00 0.00 H new ATOM 0 HA THR A 22 38.570 40.114 17.679 1.00 0.00 H new ATOM 0 HB THR A 22 38.125 39.603 15.274 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.569 38.421 17.093 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.087 39.441 13.760 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.643 41.124 14.132 1.00 0.00 H new ATOM 0 HG23 THR A 22 41.044 40.375 14.935 1.00 0.00 H new ATOM 353 N ILE A 23 40.986 40.514 18.241 1.00 0.00 N ATOM 354 CA ILE A 23 42.229 40.951 18.847 1.00 0.00 C ATOM 355 C ILE A 23 43.365 41.055 17.828 1.00 0.00 C ATOM 356 O ILE A 23 44.227 41.919 17.982 1.00 0.00 O ATOM 357 CB ILE A 23 42.551 40.087 20.063 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.955 40.655 21.349 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.041 39.868 20.312 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.434 40.764 21.387 1.00 0.00 C ATOM 0 H ILE A 23 40.667 39.605 18.576 1.00 0.00 H new ATOM 0 HA ILE A 23 42.106 41.970 19.213 1.00 0.00 H new ATOM 0 HB ILE A 23 42.099 39.128 19.811 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.276 40.030 22.182 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.375 41.647 21.514 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.174 39.243 21.195 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.486 39.374 19.448 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.529 40.830 20.471 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.123 41.179 22.346 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.096 41.416 20.582 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.995 39.774 21.261 1.00 0.00 H new ATOM 372 N GLU A 24 43.349 40.281 16.748 1.00 0.00 N ATOM 373 CA GLU A 24 44.281 40.457 15.653 1.00 0.00 C ATOM 374 C GLU A 24 44.159 41.837 15.005 1.00 0.00 C ATOM 375 O GLU A 24 45.169 42.452 14.668 1.00 0.00 O ATOM 376 CB GLU A 24 44.102 39.322 14.648 1.00 0.00 C ATOM 377 CG GLU A 24 45.229 39.280 13.620 1.00 0.00 C ATOM 378 CD GLU A 24 45.095 38.118 12.635 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.047 38.387 11.415 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.110 36.939 13.052 1.00 0.00 O ATOM 0 H GLU A 24 42.688 39.516 16.612 1.00 0.00 H new ATOM 0 HA GLU A 24 45.296 40.412 16.047 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.062 38.371 15.180 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.148 39.441 14.134 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.244 40.219 13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.184 39.201 14.139 1.00 0.00 H new ATOM 387 N ASN A 25 42.952 42.384 14.897 1.00 0.00 N ATOM 388 CA ASN A 25 42.727 43.736 14.424 1.00 0.00 C ATOM 389 C ASN A 25 43.146 44.788 15.452 1.00 0.00 C ATOM 390 O ASN A 25 43.755 45.790 15.084 1.00 0.00 O ATOM 391 CB ASN A 25 41.265 43.896 14.014 1.00 0.00 C ATOM 392 CG ASN A 25 41.023 45.127 13.139 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.879 45.558 12.369 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.831 45.712 13.204 1.00 0.00 N ATOM 0 H ASN A 25 42.094 41.889 15.140 1.00 0.00 H new ATOM 0 HA ASN A 25 43.359 43.903 13.552 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.945 43.005 13.475 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.647 43.966 14.909 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.626 46.519 12.615 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.121 45.354 13.843 1.00 0.00 H new ATOM 401 N VAL A 26 42.912 44.556 16.740 1.00 0.00 N ATOM 402 CA VAL A 26 43.388 45.418 17.804 1.00 0.00 C ATOM 403 C VAL A 26 44.915 45.522 17.791 1.00 0.00 C ATOM 404 O VAL A 26 45.443 46.630 17.845 1.00 0.00 O ATOM 405 CB VAL A 26 42.869 44.970 19.167 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.337 45.878 20.300 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.343 44.970 19.210 1.00 0.00 C ATOM 0 H VAL A 26 42.379 43.752 17.073 1.00 0.00 H new ATOM 0 HA VAL A 26 42.988 46.415 17.621 1.00 0.00 H new ATOM 0 HB VAL A 26 43.268 43.965 19.305 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.939 45.513 21.247 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.426 45.878 20.340 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.981 46.893 20.124 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.007 44.646 20.195 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.973 45.976 19.013 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.958 44.288 18.452 1.00 0.00 H new ATOM 417 N LYS A 27 45.639 44.419 17.622 1.00 0.00 N ATOM 418 CA LYS A 27 47.079 44.425 17.460 1.00 0.00 C ATOM 419 C LYS A 27 47.529 45.217 16.230 1.00 0.00 C ATOM 420 O LYS A 27 48.473 45.998 16.317 1.00 0.00 O ATOM 421 CB LYS A 27 47.619 42.999 17.426 1.00 0.00 C ATOM 422 CG LYS A 27 47.592 42.279 18.771 1.00 0.00 C ATOM 423 CD LYS A 27 48.126 40.857 18.625 1.00 0.00 C ATOM 424 CE LYS A 27 48.320 40.160 19.969 1.00 0.00 C ATOM 425 NZ LYS A 27 48.859 38.803 19.787 1.00 0.00 N ATOM 0 H LYS A 27 45.230 43.485 17.594 1.00 0.00 H new ATOM 0 HA LYS A 27 47.498 44.937 18.326 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.038 42.421 16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.646 43.022 17.061 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.193 42.827 19.496 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.573 42.254 19.156 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.436 40.275 18.015 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.077 40.883 18.093 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.998 40.744 20.591 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.368 40.109 20.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.218 38.447 20.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.106 38.174 19.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.634 38.827 19.094 1.00 0.00 H new ATOM 439 N ALA A 28 46.825 45.097 15.107 1.00 0.00 N ATOM 440 CA ALA A 28 47.106 45.865 13.912 1.00 0.00 C ATOM 441 C ALA A 28 46.875 47.367 14.095 1.00 0.00 C ATOM 442 O ALA A 28 47.665 48.169 13.603 1.00 0.00 O ATOM 443 CB ALA A 28 46.286 45.304 12.753 1.00 0.00 C ATOM 0 H ALA A 28 46.038 44.456 15.007 1.00 0.00 H new ATOM 0 HA ALA A 28 48.168 45.765 13.689 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.493 45.878 11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.554 44.260 12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.225 45.373 12.991 1.00 0.00 H new ATOM 449 N LYS A 29 45.861 47.767 14.858 1.00 0.00 N ATOM 450 CA LYS A 29 45.583 49.143 15.220 1.00 0.00 C ATOM 451 C LYS A 29 46.646 49.731 16.150 1.00 0.00 C ATOM 452 O LYS A 29 46.998 50.901 16.016 1.00 0.00 O ATOM 453 CB LYS A 29 44.195 49.245 15.842 1.00 0.00 C ATOM 454 CG LYS A 29 43.083 49.044 14.816 1.00 0.00 C ATOM 455 CD LYS A 29 41.718 48.853 15.471 1.00 0.00 C ATOM 456 CE LYS A 29 40.689 48.665 14.359 1.00 0.00 C ATOM 457 NZ LYS A 29 39.319 48.509 14.870 1.00 0.00 N ATOM 0 H LYS A 29 45.187 47.111 15.254 1.00 0.00 H new ATOM 0 HA LYS A 29 45.612 49.737 14.306 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.097 48.499 16.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.081 50.222 16.311 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.046 49.906 14.150 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.313 48.175 14.200 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.729 47.986 16.132 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.464 49.718 16.084 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.726 49.523 13.688 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.954 47.787 13.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.641 48.639 14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.205 47.557 15.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.140 49.220 15.607 1.00 0.00 H new ATOM 471 N ILE A 30 47.233 48.927 17.033 1.00 0.00 N ATOM 472 CA ILE A 30 48.362 49.326 17.847 1.00 0.00 C ATOM 473 C ILE A 30 49.605 49.574 16.989 1.00 0.00 C ATOM 474 O ILE A 30 50.353 50.505 17.276 1.00 0.00 O ATOM 475 CB ILE A 30 48.576 48.330 18.984 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.402 48.384 19.957 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.874 48.591 19.742 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.314 47.190 20.902 1.00 0.00 C ATOM 0 H ILE A 30 46.928 47.968 17.200 1.00 0.00 H new ATOM 0 HA ILE A 30 48.146 50.284 18.320 1.00 0.00 H new ATOM 0 HB ILE A 30 48.644 47.339 18.534 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.478 49.296 20.549 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.475 48.450 19.387 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.983 47.858 20.541 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.718 48.509 19.057 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.850 49.593 20.170 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.452 47.309 21.559 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.205 46.274 20.322 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.222 47.133 21.502 1.00 0.00 H new ATOM 490 N GLN A 31 49.802 48.848 15.892 1.00 0.00 N ATOM 491 CA GLN A 31 50.821 49.201 14.924 1.00 0.00 C ATOM 492 C GLN A 31 50.482 50.493 14.177 1.00 0.00 C ATOM 493 O GLN A 31 51.365 51.322 13.973 1.00 0.00 O ATOM 494 CB GLN A 31 51.108 48.068 13.943 1.00 0.00 C ATOM 495 CG GLN A 31 52.436 48.303 13.229 1.00 0.00 C ATOM 496 CD GLN A 31 52.801 47.223 12.208 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.969 46.676 11.488 1.00 0.00 O ATOM 498 NE2 GLN A 31 54.075 46.865 12.069 1.00 0.00 N ATOM 0 H GLN A 31 49.266 48.013 15.656 1.00 0.00 H new ATOM 0 HA GLN A 31 51.732 49.376 15.497 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.138 47.117 14.475 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.302 47.999 13.212 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.397 49.267 12.722 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.230 48.366 13.974 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.793 47.298 12.650 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.334 46.157 11.381 1.00 0.00 H new ATOM 507 N ASP A 32 49.225 50.712 13.801 1.00 0.00 N ATOM 508 CA ASP A 32 48.817 51.947 13.163 1.00 0.00 C ATOM 509 C ASP A 32 49.126 53.176 14.021 1.00 0.00 C ATOM 510 O ASP A 32 49.699 54.133 13.504 1.00 0.00 O ATOM 511 CB ASP A 32 47.345 51.897 12.767 1.00 0.00 C ATOM 512 CG ASP A 32 46.892 53.197 12.100 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.427 53.548 11.026 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.016 53.888 12.662 1.00 0.00 O ATOM 0 H ASP A 32 48.469 50.039 13.932 1.00 0.00 H new ATOM 0 HA ASP A 32 49.408 52.048 12.253 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.180 51.062 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.737 51.711 13.652 1.00 0.00 H new ATOM 519 N LYS A 33 48.805 53.153 15.311 1.00 0.00 N ATOM 520 CA LYS A 33 48.922 54.300 16.189 1.00 0.00 C ATOM 521 C LYS A 33 50.229 54.429 16.973 1.00 0.00 C ATOM 522 O LYS A 33 50.615 55.567 17.225 1.00 0.00 O ATOM 523 CB LYS A 33 47.680 54.424 17.066 1.00 0.00 C ATOM 524 CG LYS A 33 46.528 54.993 16.241 1.00 0.00 C ATOM 525 CD LYS A 33 45.246 55.215 17.037 1.00 0.00 C ATOM 526 CE LYS A 33 44.149 55.896 16.224 1.00 0.00 C ATOM 527 NZ LYS A 33 44.531 57.237 15.756 1.00 0.00 N ATOM 0 H LYS A 33 48.450 52.319 15.779 1.00 0.00 H new ATOM 0 HA LYS A 33 48.978 55.163 15.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.406 53.448 17.467 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.886 55.072 17.917 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.841 55.941 15.804 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.317 54.315 15.414 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.879 54.255 17.399 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.470 55.822 17.914 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.902 55.274 15.364 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.248 55.972 16.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.691 57.730 15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.934 57.779 16.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.239 57.152 14.999 1.00 0.00 H new ATOM 541 N GLU A 34 50.920 53.348 17.325 1.00 0.00 N ATOM 542 CA GLU A 34 52.174 53.356 18.052 1.00 0.00 C ATOM 543 C GLU A 34 53.316 52.572 17.402 1.00 0.00 C ATOM 544 O GLU A 34 54.409 52.513 17.960 1.00 0.00 O ATOM 545 CB GLU A 34 51.955 52.906 19.493 1.00 0.00 C ATOM 546 CG GLU A 34 51.488 54.019 20.428 1.00 0.00 C ATOM 547 CD GLU A 34 52.578 55.059 20.699 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.440 54.829 21.575 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.574 56.125 20.046 1.00 0.00 O ATOM 0 H GLU A 34 50.603 52.405 17.099 1.00 0.00 H new ATOM 0 HA GLU A 34 52.509 54.393 18.029 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.218 52.103 19.504 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.886 52.489 19.878 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.620 54.514 19.992 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.165 53.582 21.373 1.00 0.00 H new ATOM 556 N GLY A 35 53.126 51.967 16.233 1.00 0.00 N ATOM 557 CA GLY A 35 54.185 51.331 15.476 1.00 0.00 C ATOM 558 C GLY A 35 54.694 49.999 16.028 1.00 0.00 C ATOM 559 O GLY A 35 55.660 49.464 15.486 1.00 0.00 O ATOM 0 H GLY A 35 52.213 51.907 15.782 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.830 51.169 14.458 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.026 52.022 15.414 1.00 0.00 H new ATOM 563 N ILE A 36 54.075 49.442 17.064 1.00 0.00 N ATOM 564 CA ILE A 36 54.494 48.194 17.670 1.00 0.00 C ATOM 565 C ILE A 36 54.241 47.044 16.691 1.00 0.00 C ATOM 566 O ILE A 36 53.083 46.826 16.343 1.00 0.00 O ATOM 567 CB ILE A 36 53.789 47.925 18.996 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.648 49.128 19.924 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.485 46.769 19.710 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.953 49.792 20.350 1.00 0.00 C ATOM 0 H ILE A 36 53.256 49.856 17.509 1.00 0.00 H new ATOM 0 HA ILE A 36 55.559 48.271 17.889 1.00 0.00 H new ATOM 0 HB ILE A 36 52.762 47.667 18.739 1.00 0.00 H new ATOM 0 HG12 ILE A 36 53.027 49.874 19.429 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.113 48.812 20.820 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.985 46.573 20.658 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.442 45.877 19.086 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.527 47.031 19.897 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.735 50.634 21.007 1.00 0.00 H new ATOM 0 HD12 ILE A 36 55.573 49.069 20.880 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.485 50.148 19.468 1.00 0.00 H new ATOM 582 N PRO A 37 55.239 46.278 16.258 1.00 0.00 N ATOM 583 CA PRO A 37 55.032 45.200 15.313 1.00 0.00 C ATOM 584 C PRO A 37 54.131 44.116 15.909 1.00 0.00 C ATOM 585 O PRO A 37 54.459 43.618 16.983 1.00 0.00 O ATOM 586 CB PRO A 37 56.424 44.683 14.959 1.00 0.00 C ATOM 587 CG PRO A 37 57.279 45.073 16.161 1.00 0.00 C ATOM 588 CD PRO A 37 56.637 46.379 16.624 1.00 0.00 C ATOM 0 HA PRO A 37 54.515 45.536 14.414 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.422 43.604 14.804 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.796 45.136 14.040 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.253 44.311 16.940 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.324 45.212 15.886 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.752 46.512 17.700 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.106 47.238 16.145 1.00 0.00 H new ATOM 596 N PRO A 38 53.023 43.727 15.285 1.00 0.00 N ATOM 597 CA PRO A 38 52.060 42.817 15.871 1.00 0.00 C ATOM 598 C PRO A 38 52.610 41.458 16.310 1.00 0.00 C ATOM 599 O PRO A 38 52.125 40.893 17.289 1.00 0.00 O ATOM 600 CB PRO A 38 50.939 42.661 14.847 1.00 0.00 C ATOM 601 CG PRO A 38 50.953 44.013 14.139 1.00 0.00 C ATOM 602 CD PRO A 38 52.446 44.326 14.098 1.00 0.00 C ATOM 0 HA PRO A 38 51.715 43.248 16.811 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.130 41.839 14.157 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.979 42.461 15.323 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.519 43.957 13.141 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.391 44.769 14.688 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.903 43.919 13.196 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.617 45.402 14.084 1.00 0.00 H new ATOM 610 N ASP A 39 53.672 40.963 15.682 1.00 0.00 N ATOM 611 CA ASP A 39 54.344 39.738 16.070 1.00 0.00 C ATOM 612 C ASP A 39 55.051 39.816 17.425 1.00 0.00 C ATOM 613 O ASP A 39 55.414 38.784 17.984 1.00 0.00 O ATOM 614 CB ASP A 39 55.304 39.317 14.961 1.00 0.00 C ATOM 615 CG ASP A 39 56.493 40.270 14.828 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.462 41.181 13.971 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.474 40.101 15.583 1.00 0.00 O ATOM 0 H ASP A 39 54.095 41.416 14.872 1.00 0.00 H new ATOM 0 HA ASP A 39 53.574 38.978 16.204 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.669 38.310 15.163 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.766 39.277 14.014 1.00 0.00 H new ATOM 622 N GLN A 40 55.234 41.013 17.976 1.00 0.00 N ATOM 623 CA GLN A 40 55.871 41.296 19.247 1.00 0.00 C ATOM 624 C GLN A 40 54.881 41.676 20.349 1.00 0.00 C ATOM 625 O GLN A 40 55.284 42.012 21.460 1.00 0.00 O ATOM 626 CB GLN A 40 56.910 42.389 19.017 1.00 0.00 C ATOM 627 CG GLN A 40 58.107 42.323 19.961 1.00 0.00 C ATOM 628 CD GLN A 40 59.086 43.474 19.730 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.153 44.431 20.499 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.868 43.423 18.656 1.00 0.00 N ATOM 0 H GLN A 40 54.918 41.864 17.511 1.00 0.00 H new ATOM 0 HA GLN A 40 56.350 40.387 19.610 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.268 42.324 17.989 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.429 43.361 19.126 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.756 42.348 20.993 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.625 41.374 19.823 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.810 42.628 18.020 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.526 44.179 18.468 1.00 0.00 H new ATOM 639 N GLN A 41 53.580 41.664 20.068 1.00 0.00 N ATOM 640 CA GLN A 41 52.541 42.125 20.967 1.00 0.00 C ATOM 641 C GLN A 41 51.898 40.994 21.771 1.00 0.00 C ATOM 642 O GLN A 41 51.403 40.025 21.199 1.00 0.00 O ATOM 643 CB GLN A 41 51.456 42.878 20.203 1.00 0.00 C ATOM 644 CG GLN A 41 51.928 44.144 19.493 1.00 0.00 C ATOM 645 CD GLN A 41 50.757 44.954 18.933 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.658 44.970 19.485 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.904 45.644 17.806 1.00 0.00 N ATOM 0 H GLN A 41 53.215 41.321 19.179 1.00 0.00 H new ATOM 0 HA GLN A 41 53.033 42.794 21.673 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.020 42.206 19.464 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.661 43.145 20.899 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.496 44.761 20.190 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.604 43.875 18.682 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.804 45.650 17.325 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.117 46.167 17.422 1.00 0.00 H new ATOM 656 N ARG A 42 51.797 41.181 23.083 1.00 0.00 N ATOM 657 CA ARG A 42 50.873 40.478 23.951 1.00 0.00 C ATOM 658 C ARG A 42 49.909 41.482 24.585 1.00 0.00 C ATOM 659 O ARG A 42 50.356 42.530 25.048 1.00 0.00 O ATOM 660 CB ARG A 42 51.641 39.695 25.013 1.00 0.00 C ATOM 661 CG ARG A 42 51.907 38.243 24.628 1.00 0.00 C ATOM 662 CD ARG A 42 52.899 37.569 25.571 1.00 0.00 C ATOM 663 NE ARG A 42 52.440 37.548 26.960 1.00 0.00 N ATOM 664 CZ ARG A 42 52.921 38.228 28.009 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.930 39.105 27.932 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.382 38.072 29.227 1.00 0.00 N ATOM 0 H ARG A 42 52.380 41.852 23.584 1.00 0.00 H new ATOM 0 HA ARG A 42 50.292 39.763 23.369 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.592 40.192 25.202 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.079 39.717 25.947 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.968 37.689 24.635 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.293 38.204 23.609 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.074 36.547 25.236 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.855 38.090 25.517 1.00 0.00 H new ATOM 0 HE ARG A 42 51.649 36.934 27.155 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.380 39.288 27.035 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.249 39.590 28.770 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.599 37.431 29.360 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.755 38.594 30.020 1.00 0.00 H new ATOM 680 N LEU A 43 48.614 41.179 24.627 1.00 0.00 N ATOM 681 CA LEU A 43 47.592 41.998 25.246 1.00 0.00 C ATOM 682 C LEU A 43 47.016 41.310 26.485 1.00 0.00 C ATOM 683 O LEU A 43 46.723 40.117 26.439 1.00 0.00 O ATOM 684 CB LEU A 43 46.491 42.342 24.248 1.00 0.00 C ATOM 685 CG LEU A 43 46.924 43.027 22.956 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.693 43.382 22.127 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.714 44.312 23.192 1.00 0.00 C ATOM 0 H LEU A 43 48.241 40.324 24.214 1.00 0.00 H new ATOM 0 HA LEU A 43 48.056 42.931 25.567 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.970 41.421 23.986 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.768 42.986 24.748 1.00 0.00 H new ATOM 0 HG LEU A 43 47.572 42.320 22.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.005 43.871 21.204 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.141 42.473 21.887 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.053 44.056 22.697 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.992 44.750 22.233 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.100 45.019 23.749 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.615 44.086 23.762 1.00 0.00 H new ATOM 699 N ILE A 44 46.830 42.055 27.572 1.00 0.00 N ATOM 700 CA ILE A 44 46.301 41.578 28.833 1.00 0.00 C ATOM 701 C ILE A 44 45.166 42.484 29.314 1.00 0.00 C ATOM 702 O ILE A 44 45.298 43.707 29.302 1.00 0.00 O ATOM 703 CB ILE A 44 47.401 41.454 29.883 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.468 40.457 29.441 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.833 41.042 31.239 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.643 40.308 30.402 1.00 0.00 C ATOM 0 H ILE A 44 47.056 43.050 27.592 1.00 0.00 H new ATOM 0 HA ILE A 44 45.892 40.580 28.676 1.00 0.00 H new ATOM 0 HB ILE A 44 47.860 42.437 29.988 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.000 39.482 29.307 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.850 40.763 28.467 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.643 40.963 31.964 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.116 41.791 31.576 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.333 40.078 31.146 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.349 39.579 30.004 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.142 41.270 30.518 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.279 39.968 31.372 1.00 0.00 H new ATOM 718 N PHE A 45 44.082 41.883 29.798 1.00 0.00 N ATOM 719 CA PHE A 45 43.044 42.539 30.567 1.00 0.00 C ATOM 720 C PHE A 45 42.725 41.737 31.830 1.00 0.00 C ATOM 721 O PHE A 45 42.524 40.527 31.751 1.00 0.00 O ATOM 722 CB PHE A 45 41.802 42.751 29.705 1.00 0.00 C ATOM 723 CG PHE A 45 40.648 43.412 30.421 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.746 44.755 30.807 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.485 42.690 30.715 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.687 45.375 31.481 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.421 43.311 31.380 1.00 0.00 C ATOM 728 CZ PHE A 45 38.523 44.652 31.768 1.00 0.00 C ATOM 0 H PHE A 45 43.902 40.889 29.657 1.00 0.00 H new ATOM 0 HA PHE A 45 43.401 43.519 30.883 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.074 43.359 28.842 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.471 41.785 29.323 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.642 45.315 30.584 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.409 41.652 30.428 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.768 46.410 31.779 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.520 42.755 31.594 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.705 45.128 32.288 1.00 0.00 H new ATOM 738 N ALA A 46 42.688 42.397 32.982 1.00 0.00 N ATOM 739 CA ALA A 46 42.377 41.823 34.276 1.00 0.00 C ATOM 740 C ALA A 46 43.170 40.558 34.613 1.00 0.00 C ATOM 741 O ALA A 46 42.618 39.570 35.091 1.00 0.00 O ATOM 742 CB ALA A 46 40.865 41.675 34.411 1.00 0.00 C ATOM 0 H ALA A 46 42.885 43.396 33.036 1.00 0.00 H new ATOM 0 HA ALA A 46 42.717 42.517 35.045 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.627 41.243 35.383 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.394 42.654 34.324 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.492 41.021 33.623 1.00 0.00 H new ATOM 748 N GLY A 47 44.472 40.570 34.339 1.00 0.00 N ATOM 749 CA GLY A 47 45.392 39.469 34.542 1.00 0.00 C ATOM 750 C GLY A 47 45.389 38.365 33.482 1.00 0.00 C ATOM 751 O GLY A 47 46.269 37.508 33.513 1.00 0.00 O ATOM 0 H GLY A 47 44.931 41.393 33.950 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.401 39.876 34.606 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.170 39.014 35.507 1.00 0.00 H new ATOM 755 N LYS A 48 44.458 38.375 32.533 1.00 0.00 N ATOM 756 CA LYS A 48 44.253 37.347 31.533 1.00 0.00 C ATOM 757 C LYS A 48 44.646 37.803 30.126 1.00 0.00 C ATOM 758 O LYS A 48 44.264 38.890 29.700 1.00 0.00 O ATOM 759 CB LYS A 48 42.814 36.851 31.642 1.00 0.00 C ATOM 760 CG LYS A 48 42.415 35.835 30.575 1.00 0.00 C ATOM 761 CD LYS A 48 41.101 35.130 30.899 1.00 0.00 C ATOM 762 CE LYS A 48 41.308 34.083 31.991 1.00 0.00 C ATOM 763 NZ LYS A 48 40.053 33.408 32.357 1.00 0.00 N ATOM 0 H LYS A 48 43.794 39.144 32.441 1.00 0.00 H new ATOM 0 HA LYS A 48 44.922 36.509 31.727 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.671 36.403 32.625 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.142 37.707 31.581 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.325 36.340 29.613 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.206 35.092 30.472 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.360 35.861 31.224 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.706 34.654 30.001 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.031 33.342 31.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.733 34.560 32.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.241 32.706 33.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.371 34.110 32.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.659 32.930 31.521 1.00 0.00 H new ATOM 777 N GLN A 49 45.391 36.972 29.403 1.00 0.00 N ATOM 778 CA GLN A 49 45.917 37.259 28.084 1.00 0.00 C ATOM 779 C GLN A 49 44.887 37.037 26.976 1.00 0.00 C ATOM 780 O GLN A 49 44.159 36.047 26.987 1.00 0.00 O ATOM 781 CB GLN A 49 47.189 36.444 27.866 1.00 0.00 C ATOM 782 CG GLN A 49 47.895 36.761 26.551 1.00 0.00 C ATOM 783 CD GLN A 49 49.238 36.038 26.432 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.079 36.070 27.327 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.511 35.357 25.323 1.00 0.00 N ATOM 0 H GLN A 49 45.652 36.045 29.739 1.00 0.00 H new ATOM 0 HA GLN A 49 46.163 38.320 28.032 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.876 36.629 28.692 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.940 35.383 27.889 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.254 36.474 25.717 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.054 37.837 26.475 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.827 35.317 24.567 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.404 34.874 25.228 1.00 0.00 H new ATOM 794 N LEU A 50 44.852 37.942 26.001 1.00 0.00 N ATOM 795 CA LEU A 50 43.840 38.018 24.968 1.00 0.00 C ATOM 796 C LEU A 50 44.343 37.448 23.640 1.00 0.00 C ATOM 797 O LEU A 50 45.450 37.767 23.213 1.00 0.00 O ATOM 798 CB LEU A 50 43.343 39.453 24.815 1.00 0.00 C ATOM 799 CG LEU A 50 43.200 40.293 26.080 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.732 41.700 25.723 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.218 39.710 27.094 1.00 0.00 C ATOM 0 H LEU A 50 45.561 38.670 25.912 1.00 0.00 H new ATOM 0 HA LEU A 50 42.997 37.399 25.274 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.024 39.974 24.142 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.371 39.421 24.322 1.00 0.00 H new ATOM 0 HG LEU A 50 44.188 40.304 26.541 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.633 42.292 26.633 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.461 42.169 25.062 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.767 41.646 25.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.168 40.360 27.967 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.230 39.634 26.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.555 38.719 27.398 1.00 0.00 H new ATOM 813 N GLU A 51 43.541 36.623 22.972 1.00 0.00 N ATOM 814 CA GLU A 51 43.971 35.799 21.860 1.00 0.00 C ATOM 815 C GLU A 51 43.570 36.308 20.474 1.00 0.00 C ATOM 816 O GLU A 51 42.444 36.758 20.269 1.00 0.00 O ATOM 817 CB GLU A 51 43.426 34.387 22.045 1.00 0.00 C ATOM 818 CG GLU A 51 44.084 33.666 23.219 1.00 0.00 C ATOM 819 CD GLU A 51 43.344 32.381 23.597 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.136 32.141 24.806 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.020 31.571 22.701 1.00 0.00 O ATOM 0 H GLU A 51 42.553 36.511 23.199 1.00 0.00 H new ATOM 0 HA GLU A 51 45.060 35.828 21.881 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.349 34.433 22.206 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.588 33.814 21.132 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.116 33.427 22.964 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.115 34.332 24.081 1.00 0.00 H new ATOM 828 N ASP A 52 44.440 36.123 19.486 1.00 0.00 N ATOM 829 CA ASP A 52 44.255 36.507 18.101 1.00 0.00 C ATOM 830 C ASP A 52 43.047 35.868 17.414 1.00 0.00 C ATOM 831 O ASP A 52 42.615 36.348 16.368 1.00 0.00 O ATOM 832 CB ASP A 52 45.505 36.171 17.291 1.00 0.00 C ATOM 833 CG ASP A 52 46.742 37.016 17.603 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.387 36.770 18.645 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.127 37.862 16.768 1.00 0.00 O ATOM 0 H ASP A 52 45.342 35.675 19.645 1.00 0.00 H new ATOM 0 HA ASP A 52 44.069 37.581 18.129 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.752 35.122 17.456 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.270 36.280 16.232 1.00 0.00 H new ATOM 840 N GLY A 53 42.493 34.784 17.950 1.00 0.00 N ATOM 841 CA GLY A 53 41.279 34.144 17.485 1.00 0.00 C ATOM 842 C GLY A 53 39.983 34.629 18.140 1.00 0.00 C ATOM 843 O GLY A 53 38.919 34.130 17.782 1.00 0.00 O ATOM 0 H GLY A 53 42.901 34.311 18.756 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.199 34.295 16.408 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.369 33.070 17.651 1.00 0.00 H new ATOM 847 N ARG A 54 40.044 35.548 19.100 1.00 0.00 N ATOM 848 CA ARG A 54 38.938 36.008 19.914 1.00 0.00 C ATOM 849 C ARG A 54 38.631 37.493 19.715 1.00 0.00 C ATOM 850 O ARG A 54 39.422 38.244 19.149 1.00 0.00 O ATOM 851 CB ARG A 54 39.249 35.706 21.377 1.00 0.00 C ATOM 852 CG ARG A 54 39.249 34.233 21.777 1.00 0.00 C ATOM 853 CD ARG A 54 37.883 33.572 21.614 1.00 0.00 C ATOM 854 NE ARG A 54 37.748 32.416 22.501 1.00 0.00 N ATOM 855 CZ ARG A 54 36.616 31.807 22.879 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.417 32.090 22.354 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.684 30.877 23.842 1.00 0.00 N ATOM 0 H ARG A 54 40.919 36.014 19.339 1.00 0.00 H new ATOM 0 HA ARG A 54 38.040 35.475 19.602 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.227 36.125 21.613 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.521 36.229 21.997 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.980 33.698 21.172 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.568 34.144 22.815 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.097 34.295 21.832 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.749 33.258 20.579 1.00 0.00 H new ATOM 0 HE ARG A 54 38.615 32.030 22.874 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.333 32.801 21.628 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.587 31.594 22.680 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.582 30.649 24.268 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.837 30.398 24.149 1.00 0.00 H new ATOM 871 N THR A 55 37.482 37.923 20.229 1.00 0.00 N ATOM 872 CA THR A 55 36.996 39.287 20.197 1.00 0.00 C ATOM 873 C THR A 55 36.958 39.932 21.584 1.00 0.00 C ATOM 874 O THR A 55 37.012 39.244 22.601 1.00 0.00 O ATOM 875 CB THR A 55 35.606 39.381 19.575 1.00 0.00 C ATOM 876 OG1 THR A 55 34.663 38.745 20.409 1.00 0.00 O ATOM 877 CG2 THR A 55 35.490 38.718 18.205 1.00 0.00 C ATOM 0 H THR A 55 36.836 37.291 20.702 1.00 0.00 H new ATOM 0 HA THR A 55 37.709 39.832 19.578 1.00 0.00 H new ATOM 0 HB THR A 55 35.418 40.449 19.461 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.816 37.777 20.397 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.472 38.829 17.832 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.184 39.192 17.511 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.731 37.659 18.292 1.00 0.00 H new ATOM 885 N LEU A 56 36.795 41.251 21.634 1.00 0.00 N ATOM 886 CA LEU A 56 36.617 41.996 22.864 1.00 0.00 C ATOM 887 C LEU A 56 35.445 41.489 23.706 1.00 0.00 C ATOM 888 O LEU A 56 35.575 41.368 24.922 1.00 0.00 O ATOM 889 CB LEU A 56 36.454 43.473 22.518 1.00 0.00 C ATOM 890 CG LEU A 56 37.681 44.120 21.884 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.339 45.546 21.458 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.874 44.198 22.832 1.00 0.00 C ATOM 0 H LEU A 56 36.784 41.838 20.800 1.00 0.00 H new ATOM 0 HA LEU A 56 37.502 41.852 23.484 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.610 43.581 21.836 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.201 44.019 23.427 1.00 0.00 H new ATOM 0 HG LEU A 56 37.957 43.493 21.036 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.215 46.010 21.005 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.524 45.524 20.734 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.033 46.123 22.331 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.714 44.668 22.321 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.605 44.789 23.708 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.156 43.193 23.145 1.00 0.00 H new ATOM 904 N SER A 57 34.337 41.111 23.075 1.00 0.00 N ATOM 905 CA SER A 57 33.199 40.492 23.724 1.00 0.00 C ATOM 906 C SER A 57 33.546 39.213 24.488 1.00 0.00 C ATOM 907 O SER A 57 33.023 38.991 25.579 1.00 0.00 O ATOM 908 CB SER A 57 32.120 40.130 22.708 1.00 0.00 C ATOM 909 OG SER A 57 31.587 41.296 22.121 1.00 0.00 O ATOM 0 H SER A 57 34.208 41.233 22.071 1.00 0.00 H new ATOM 0 HA SER A 57 32.846 41.239 24.435 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.540 39.486 21.936 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.326 39.566 23.197 1.00 0.00 H new ATOM 0 HG SER A 57 32.315 41.914 21.901 1.00 0.00 H new ATOM 915 N ASP A 58 34.447 38.386 23.965 1.00 0.00 N ATOM 916 CA ASP A 58 34.783 37.100 24.542 1.00 0.00 C ATOM 917 C ASP A 58 35.634 37.215 25.809 1.00 0.00 C ATOM 918 O ASP A 58 35.768 36.244 26.550 1.00 0.00 O ATOM 919 CB ASP A 58 35.464 36.221 23.497 1.00 0.00 C ATOM 920 CG ASP A 58 34.703 36.158 22.170 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.461 36.023 22.152 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.359 36.270 21.112 1.00 0.00 O ATOM 0 H ASP A 58 34.969 38.599 23.115 1.00 0.00 H new ATOM 0 HA ASP A 58 33.849 36.631 24.851 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.470 36.599 23.314 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.571 35.212 23.895 1.00 0.00 H new ATOM 927 N TYR A 59 36.165 38.404 26.079 1.00 0.00 N ATOM 928 CA TYR A 59 36.832 38.786 27.307 1.00 0.00 C ATOM 929 C TYR A 59 36.049 39.807 28.134 1.00 0.00 C ATOM 930 O TYR A 59 36.589 40.335 29.104 1.00 0.00 O ATOM 931 CB TYR A 59 38.251 39.246 26.986 1.00 0.00 C ATOM 932 CG TYR A 59 39.108 38.176 26.352 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.536 37.092 27.128 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.473 38.270 25.005 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.301 36.071 26.549 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.260 37.270 24.423 1.00 0.00 C ATOM 937 CZ TYR A 59 40.652 36.153 25.188 1.00 0.00 C ATOM 938 OH TYR A 59 41.375 35.153 24.605 1.00 0.00 O ATOM 0 H TYR A 59 36.136 39.167 25.403 1.00 0.00 H new ATOM 0 HA TYR A 59 36.885 37.908 27.951 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.202 40.104 26.316 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.730 39.586 27.904 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.276 37.043 28.175 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.148 39.114 24.415 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.619 35.227 27.143 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.566 37.354 23.391 1.00 0.00 H new ATOM 0 HH TYR A 59 41.173 34.302 25.048 1.00 0.00 H new ATOM 948 N ASN A 60 34.788 40.061 27.797 1.00 0.00 N ATOM 949 CA ASN A 60 33.908 40.977 28.494 1.00 0.00 C ATOM 950 C ASN A 60 34.406 42.424 28.518 1.00 0.00 C ATOM 951 O ASN A 60 34.199 43.154 29.485 1.00 0.00 O ATOM 952 CB ASN A 60 33.542 40.376 29.847 1.00 0.00 C ATOM 953 CG ASN A 60 32.119 40.727 30.288 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.830 41.830 30.744 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.174 39.802 30.140 1.00 0.00 N ATOM 0 H ASN A 60 34.339 39.613 26.998 1.00 0.00 H new ATOM 0 HA ASN A 60 32.982 41.085 27.930 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.645 39.292 29.797 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.248 40.729 30.599 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.211 40.010 30.405 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.412 38.885 29.761 1.00 0.00 H new ATOM 962 N ILE A 61 35.095 42.863 27.469 1.00 0.00 N ATOM 963 CA ILE A 61 35.670 44.189 27.358 1.00 0.00 C ATOM 964 C ILE A 61 34.670 45.114 26.660 1.00 0.00 C ATOM 965 O ILE A 61 34.543 45.110 25.438 1.00 0.00 O ATOM 966 CB ILE A 61 37.032 44.150 26.671 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.982 43.181 27.369 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.638 45.550 26.641 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.345 43.019 26.704 1.00 0.00 C ATOM 0 H ILE A 61 35.271 42.283 26.649 1.00 0.00 H new ATOM 0 HA ILE A 61 35.859 44.592 28.353 1.00 0.00 H new ATOM 0 HB ILE A 61 36.886 43.796 25.651 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.133 43.520 28.394 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.503 42.203 27.424 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.610 45.515 26.149 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.977 46.221 26.092 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.760 45.916 27.661 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.946 42.311 27.274 1.00 0.00 H new ATOM 0 HD12 ILE A 61 39.212 42.647 25.688 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.852 43.983 26.674 1.00 0.00 H new ATOM 981 N GLN A 62 33.940 45.901 27.444 1.00 0.00 N ATOM 982 CA GLN A 62 33.047 46.946 26.986 1.00 0.00 C ATOM 983 C GLN A 62 33.794 48.255 26.718 1.00 0.00 C ATOM 984 O GLN A 62 34.964 48.397 27.066 1.00 0.00 O ATOM 985 CB GLN A 62 31.920 47.128 27.999 1.00 0.00 C ATOM 986 CG GLN A 62 30.824 46.072 27.891 1.00 0.00 C ATOM 987 CD GLN A 62 31.283 44.669 28.296 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.585 43.812 27.469 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.357 44.393 29.595 1.00 0.00 N ATOM 0 H GLN A 62 33.960 45.820 28.461 1.00 0.00 H new ATOM 0 HA GLN A 62 32.613 46.646 26.032 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.339 47.103 29.005 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.477 48.115 27.863 1.00 0.00 H new ATOM 0 HG2 GLN A 62 29.984 46.366 28.520 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.458 46.043 26.865 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.107 45.104 30.282 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.664 43.471 29.904 1.00 0.00 H new ATOM 998 N LYS A 63 33.102 49.227 26.132 1.00 0.00 N ATOM 999 CA LYS A 63 33.545 50.597 25.963 1.00 0.00 C ATOM 1000 C LYS A 63 34.201 51.198 27.207 1.00 0.00 C ATOM 1001 O LYS A 63 33.856 50.853 28.335 1.00 0.00 O ATOM 1002 CB LYS A 63 32.377 51.464 25.504 1.00 0.00 C ATOM 1003 CG LYS A 63 31.223 51.554 26.498 1.00 0.00 C ATOM 1004 CD LYS A 63 30.141 52.500 25.984 1.00 0.00 C ATOM 1005 CE LYS A 63 28.837 52.414 26.774 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.000 52.772 28.191 1.00 0.00 N ATOM 0 H LYS A 63 32.172 49.067 25.745 1.00 0.00 H new ATOM 0 HA LYS A 63 34.324 50.577 25.201 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.745 52.470 25.303 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.997 51.070 24.561 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.799 50.563 26.661 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.593 51.905 27.461 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.514 53.523 26.023 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.939 52.275 24.937 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.099 53.076 26.320 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.442 51.400 26.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.083 52.695 28.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.682 52.126 28.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.350 53.749 28.264 1.00 0.00 H new ATOM 1020 N GLU A 64 35.148 52.108 26.997 1.00 0.00 N ATOM 1021 CA GLU A 64 35.910 52.821 28.004 1.00 0.00 C ATOM 1022 C GLU A 64 36.603 51.966 29.066 1.00 0.00 C ATOM 1023 O GLU A 64 36.921 52.430 30.159 1.00 0.00 O ATOM 1024 CB GLU A 64 35.148 54.035 28.528 1.00 0.00 C ATOM 1025 CG GLU A 64 33.951 53.746 29.431 1.00 0.00 C ATOM 1026 CD GLU A 64 33.485 55.009 30.159 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.229 55.529 31.018 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.346 55.461 29.915 1.00 0.00 O ATOM 0 H GLU A 64 35.418 52.382 26.052 1.00 0.00 H new ATOM 0 HA GLU A 64 36.783 53.211 27.480 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.846 54.666 29.078 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.799 54.615 27.673 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.132 53.344 28.835 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.219 52.982 30.160 1.00 0.00 H new ATOM 1035 N SER A 65 36.871 50.702 28.752 1.00 0.00 N ATOM 1036 CA SER A 65 37.754 49.840 29.511 1.00 0.00 C ATOM 1037 C SER A 65 39.222 50.136 29.193 1.00 0.00 C ATOM 1038 O SER A 65 39.534 50.547 28.078 1.00 0.00 O ATOM 1039 CB SER A 65 37.463 48.367 29.240 1.00 0.00 C ATOM 1040 OG SER A 65 36.108 48.051 29.469 1.00 0.00 O ATOM 0 H SER A 65 36.465 50.241 27.938 1.00 0.00 H new ATOM 0 HA SER A 65 37.570 50.045 30.566 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.723 48.129 28.209 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.094 47.748 29.878 1.00 0.00 H new ATOM 0 HG SER A 65 35.639 47.980 28.611 1.00 0.00 H new ATOM 1046 N THR A 66 40.124 49.887 30.138 1.00 0.00 N ATOM 1047 CA THR A 66 41.558 50.004 29.967 1.00 0.00 C ATOM 1048 C THR A 66 42.216 48.624 30.002 1.00 0.00 C ATOM 1049 O THR A 66 41.948 47.847 30.916 1.00 0.00 O ATOM 1050 CB THR A 66 42.196 50.930 30.999 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.650 52.229 30.945 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.693 51.124 30.772 1.00 0.00 C ATOM 0 H THR A 66 39.860 49.587 31.077 1.00 0.00 H new ATOM 0 HA THR A 66 41.727 50.455 28.989 1.00 0.00 H new ATOM 0 HB THR A 66 42.002 50.441 31.954 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.081 52.793 31.620 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.093 51.791 31.535 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.198 50.160 30.832 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.858 51.559 29.786 1.00 0.00 H new ATOM 1060 N LEU A 67 43.099 48.330 29.051 1.00 0.00 N ATOM 1061 CA LEU A 67 43.875 47.110 28.964 1.00 0.00 C ATOM 1062 C LEU A 67 45.351 47.403 28.688 1.00 0.00 C ATOM 1063 O LEU A 67 45.708 48.530 28.352 1.00 0.00 O ATOM 1064 CB LEU A 67 43.215 46.162 27.968 1.00 0.00 C ATOM 1065 CG LEU A 67 43.301 46.505 26.482 1.00 0.00 C ATOM 1066 CD1 LEU A 67 44.614 46.069 25.837 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.191 45.786 25.722 1.00 0.00 C ATOM 0 H LEU A 67 43.298 48.973 28.285 1.00 0.00 H new ATOM 0 HA LEU A 67 43.880 46.597 29.926 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.653 45.174 28.108 1.00 0.00 H new ATOM 0 HB3 LEU A 67 42.160 46.083 28.231 1.00 0.00 H new ATOM 0 HG LEU A 67 43.217 47.590 26.424 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.610 46.343 24.782 1.00 0.00 H new ATOM 0 HD12 LEU A 67 45.447 46.564 26.337 1.00 0.00 H new ATOM 0 HD13 LEU A 67 44.725 44.989 25.931 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.256 46.034 24.662 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.301 44.709 25.850 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.222 46.101 26.109 1.00 0.00 H new ATOM 1079 N HIS A 68 46.228 46.411 28.819 1.00 0.00 N ATOM 1080 CA HIS A 68 47.664 46.564 28.701 1.00 0.00 C ATOM 1081 C HIS A 68 48.252 45.890 27.459 1.00 0.00 C ATOM 1082 O HIS A 68 47.863 44.779 27.109 1.00 0.00 O ATOM 1083 CB HIS A 68 48.342 46.027 29.957 1.00 0.00 C ATOM 1084 CG HIS A 68 47.971 46.787 31.201 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.980 46.422 32.112 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.577 47.937 31.637 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.988 47.364 33.058 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.935 48.282 32.809 1.00 0.00 N ATOM 0 H HIS A 68 45.944 45.451 29.016 1.00 0.00 H new ATOM 0 HA HIS A 68 47.857 47.631 28.590 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.075 44.978 30.086 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.423 46.066 29.824 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.390 48.465 31.161 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.323 47.385 33.908 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.144 49.096 33.387 1.00 0.00 H new ATOM 1096 N LEU A 69 49.247 46.539 26.861 1.00 0.00 N ATOM 1097 CA LEU A 69 50.165 45.999 25.880 1.00 0.00 C ATOM 1098 C LEU A 69 51.487 45.683 26.582 1.00 0.00 C ATOM 1099 O LEU A 69 52.040 46.525 27.288 1.00 0.00 O ATOM 1100 CB LEU A 69 50.289 47.007 24.740 1.00 0.00 C ATOM 1101 CG LEU A 69 51.328 46.809 23.640 1.00 0.00 C ATOM 1102 CD1 LEU A 69 52.766 47.088 24.069 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.277 45.433 22.982 1.00 0.00 C ATOM 0 H LEU A 69 49.440 47.519 27.067 1.00 0.00 H new ATOM 0 HA LEU A 69 49.813 45.066 25.440 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.315 47.066 24.255 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.480 47.981 25.191 1.00 0.00 H new ATOM 0 HG LEU A 69 51.036 47.563 22.909 1.00 0.00 H new ATOM 0 HD11 LEU A 69 53.436 46.922 23.225 1.00 0.00 H new ATOM 0 HD12 LEU A 69 52.852 48.122 24.403 1.00 0.00 H new ATOM 0 HD13 LEU A 69 53.038 46.419 24.885 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.045 45.370 22.211 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.453 44.663 23.734 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.297 45.282 22.530 1.00 0.00 H new ATOM 1115 N VAL A 70 51.990 44.468 26.382 1.00 0.00 N ATOM 1116 CA VAL A 70 53.236 43.954 26.914 1.00 0.00 C ATOM 1117 C VAL A 70 54.044 43.226 25.837 1.00 0.00 C ATOM 1118 O VAL A 70 53.620 43.114 24.689 1.00 0.00 O ATOM 1119 CB VAL A 70 52.987 43.100 28.154 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.488 43.938 29.326 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.004 41.955 27.930 1.00 0.00 C ATOM 0 H VAL A 70 51.504 43.779 25.808 1.00 0.00 H new ATOM 0 HA VAL A 70 53.849 44.797 27.234 1.00 0.00 H new ATOM 0 HB VAL A 70 53.961 42.668 28.384 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.323 43.294 30.190 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.232 44.695 29.575 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.552 44.425 29.052 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.880 41.395 28.857 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.041 42.358 27.618 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.388 41.292 27.155 1.00 0.00 H new ATOM 1131 N LEU A 71 55.248 42.767 26.167 1.00 0.00 N ATOM 1132 CA LEU A 71 56.200 42.197 25.235 1.00 0.00 C ATOM 1133 C LEU A 71 55.902 40.738 24.880 1.00 0.00 C ATOM 1134 O LEU A 71 55.404 39.977 25.707 1.00 0.00 O ATOM 1135 CB LEU A 71 57.597 42.355 25.826 1.00 0.00 C ATOM 1136 CG LEU A 71 58.770 42.116 24.879 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.850 43.180 23.788 1.00 0.00 C ATOM 1138 CD2 LEU A 71 60.083 42.107 25.655 1.00 0.00 C ATOM 0 H LEU A 71 55.594 42.785 27.126 1.00 0.00 H new ATOM 0 HA LEU A 71 56.124 42.736 24.291 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.684 43.364 26.229 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.692 41.667 26.666 1.00 0.00 H new ATOM 0 HG LEU A 71 58.605 41.148 24.406 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.699 42.971 23.137 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.932 43.169 23.201 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.977 44.161 24.245 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.911 41.936 24.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 60.218 43.067 26.153 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.060 41.312 26.400 1.00 0.00 H new ATOM 1150 N ARG A 72 56.300 40.320 23.683 1.00 0.00 N ATOM 1151 CA ARG A 72 56.563 38.938 23.331 1.00 0.00 C ATOM 1152 C ARG A 72 57.828 38.839 22.477 1.00 0.00 C ATOM 1153 O ARG A 72 57.907 39.496 21.441 1.00 0.00 O ATOM 1154 CB ARG A 72 55.362 38.348 22.597 1.00 0.00 C ATOM 1155 CG ARG A 72 55.462 36.828 22.504 1.00 0.00 C ATOM 1156 CD ARG A 72 54.295 36.231 21.721 1.00 0.00 C ATOM 1157 NE ARG A 72 54.357 36.553 20.296 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.358 36.391 19.417 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.158 35.918 19.779 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.541 36.716 18.130 1.00 0.00 N ATOM 0 H ARG A 72 56.453 40.962 22.905 1.00 0.00 H new ATOM 0 HA ARG A 72 56.725 38.364 24.243 1.00 0.00 H new ATOM 0 HB2 ARG A 72 54.444 38.623 23.117 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.301 38.773 21.595 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.401 36.554 22.023 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.482 36.403 23.507 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.293 35.148 21.846 1.00 0.00 H new ATOM 0 HD3 ARG A 72 53.357 36.601 22.134 1.00 0.00 H new ATOM 0 HE ARG A 72 55.234 36.933 19.941 1.00 0.00 H new ATOM 0 HH11 ARG A 72 51.981 35.668 20.752 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.422 35.808 19.082 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.440 37.086 17.820 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.782 36.593 17.460 1.00 0.00 H new ATOM 1174 N LEU A 73 58.787 38.008 22.873 1.00 0.00 N ATOM 1175 CA LEU A 73 60.086 37.889 22.242 1.00 0.00 C ATOM 1176 C LEU A 73 60.504 36.442 21.976 1.00 0.00 C ATOM 1177 O LEU A 73 61.148 36.177 20.964 1.00 0.00 O ATOM 1178 CB LEU A 73 61.076 38.666 23.106 1.00 0.00 C ATOM 1179 CG LEU A 73 62.484 38.936 22.582 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.448 37.767 22.764 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.513 39.393 21.127 1.00 0.00 C ATOM 0 H LEU A 73 58.672 37.380 23.669 1.00 0.00 H new ATOM 0 HA LEU A 73 60.055 38.319 21.241 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.623 39.631 23.334 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.176 38.130 24.050 1.00 0.00 H new ATOM 0 HG LEU A 73 62.831 39.757 23.209 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.426 38.037 22.367 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.539 37.532 23.825 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.068 36.896 22.231 1.00 0.00 H new ATOM 0 HD21 LEU A 73 63.545 39.567 20.821 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.071 38.623 20.495 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.944 40.317 21.024 1.00 0.00 H new ATOM 1193 N ARG A 74 60.109 35.495 22.822 1.00 0.00 N ATOM 1194 CA ARG A 74 60.443 34.089 22.703 1.00 0.00 C ATOM 1195 C ARG A 74 59.347 33.157 23.223 1.00 0.00 C ATOM 1196 O ARG A 74 58.392 33.606 23.854 1.00 0.00 O ATOM 1197 CB ARG A 74 61.811 33.825 23.325 1.00 0.00 C ATOM 1198 CG ARG A 74 62.125 34.445 24.683 1.00 0.00 C ATOM 1199 CD ARG A 74 61.118 34.177 25.798 1.00 0.00 C ATOM 1200 NE ARG A 74 60.860 32.749 25.988 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.800 32.228 26.619 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.854 32.977 27.202 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.632 30.901 26.702 1.00 0.00 N ATOM 0 H ARG A 74 59.528 35.698 23.635 1.00 0.00 H new ATOM 0 HA ARG A 74 60.507 33.849 21.642 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.930 32.746 23.418 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.568 34.170 22.620 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.100 34.081 25.008 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.214 35.524 24.554 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.490 34.603 26.730 1.00 0.00 H new ATOM 0 HD3 ARG A 74 60.181 34.685 25.567 1.00 0.00 H new ATOM 0 HE ARG A 74 61.545 32.096 25.608 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.922 33.994 27.178 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.066 32.530 27.670 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.317 30.273 26.281 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.819 30.519 27.186 1.00 0.00 H new ATOM 1217 N GLY A 75 59.481 31.859 22.963 1.00 0.00 N ATOM 1218 CA GLY A 75 58.501 30.837 23.271 1.00 0.00 C ATOM 1219 C GLY A 75 57.362 30.766 22.253 1.00 0.00 C ATOM 1220 O GLY A 75 57.164 31.683 21.459 1.00 0.00 O ATOM 0 H GLY A 75 60.314 31.481 22.512 1.00 0.00 H new ATOM 0 HA2 GLY A 75 58.999 29.868 23.318 1.00 0.00 H new ATOM 0 HA3 GLY A 75 58.084 31.029 24.260 1.00 0.00 H new ATOM 1224 N GLY A 76 56.620 29.662 22.285 1.00 0.00 N ATOM 1225 CA GLY A 76 55.492 29.397 21.414 1.00 0.00 C ATOM 1226 C GLY A 76 54.369 28.660 22.147 1.00 0.00 C ATOM 1227 O GLY A 76 54.363 27.411 22.113 1.00 0.00 O ATOM 1228 OXT GLY A 76 53.538 29.348 22.777 1.00 0.00 O ATOM 0 H GLY A 76 56.799 28.904 22.944 1.00 0.00 H new ATOM 0 HA2 GLY A 76 55.111 30.338 21.017 1.00 0.00 H new ATOM 0 HA3 GLY A 76 55.822 28.802 20.563 1.00 0.00 H new TER 1232 GLY A 76