USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 531 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 163 LYS NZ :NH3+ -133:sc= 1.11 (180deg=-0.149) USER MOD Set 1.2: A 167 GLN :FLIP amide:sc= -0.347! F(o=-4.7,f=0.77!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.123) USER MOD Single : A 147 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.49) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.6!) USER MOD Single : B 216 THR OG1 : rot 135:sc= -3.43! USER MOD Single : B 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 223 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.4!) USER MOD Single : B 228 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.3!) USER MOD Single : B 229 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 239 MET CE :methyl 141:sc= -0.104 (180deg=-0.957) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 24.592 -3.786 -15.502 1.00 0.00 N ATOM 36 CA GLU A 139 24.169 -3.780 -14.107 1.00 0.00 C ATOM 37 C GLU A 139 25.379 -3.840 -13.180 1.00 0.00 C ATOM 38 O GLU A 139 25.420 -3.165 -12.151 1.00 0.00 O ATOM 39 CB GLU A 139 23.253 -4.974 -13.833 1.00 0.00 C ATOM 40 CG GLU A 139 21.926 -4.778 -14.568 1.00 0.00 C ATOM 41 CD GLU A 139 21.034 -5.999 -14.366 1.00 0.00 C ATOM 42 OE1 GLU A 139 21.436 -6.888 -13.634 1.00 0.00 O ATOM 43 OE2 GLU A 139 19.963 -6.028 -14.950 1.00 0.00 O ATOM 0 HA GLU A 139 23.625 -2.855 -13.916 1.00 0.00 H new ATOM 0 HB2 GLU A 139 23.731 -5.896 -14.163 1.00 0.00 H new ATOM 0 HB3 GLU A 139 23.077 -5.072 -12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 139 21.424 -3.885 -14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 139 22.109 -4.623 -15.631 1.00 0.00 H new ATOM 50 N GLU A 140 26.364 -4.651 -13.553 1.00 0.00 N ATOM 51 CA GLU A 140 27.568 -4.796 -12.745 1.00 0.00 C ATOM 52 C GLU A 140 28.340 -3.481 -12.694 1.00 0.00 C ATOM 53 O GLU A 140 28.858 -3.094 -11.646 1.00 0.00 O ATOM 54 CB GLU A 140 28.462 -5.891 -13.330 1.00 0.00 C ATOM 55 CG GLU A 140 27.756 -7.243 -13.218 1.00 0.00 C ATOM 56 CD GLU A 140 27.552 -7.605 -11.751 1.00 0.00 C ATOM 57 OE1 GLU A 140 28.264 -7.060 -10.923 1.00 0.00 O ATOM 58 OE2 GLU A 140 26.688 -8.421 -11.477 1.00 0.00 O ATOM 0 H GLU A 140 26.352 -5.214 -14.404 1.00 0.00 H new ATOM 0 HA GLU A 140 27.272 -5.071 -11.733 1.00 0.00 H new ATOM 0 HB2 GLU A 140 28.687 -5.672 -14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 140 29.413 -5.921 -12.798 1.00 0.00 H new ATOM 0 HG2 GLU A 140 26.794 -7.203 -13.728 1.00 0.00 H new ATOM 0 HG3 GLU A 140 28.348 -8.014 -13.712 1.00 0.00 H new ATOM 65 N ARG A 141 28.411 -2.798 -13.832 1.00 0.00 N ATOM 66 CA ARG A 141 29.120 -1.526 -13.906 1.00 0.00 C ATOM 67 C ARG A 141 28.424 -0.475 -13.047 1.00 0.00 C ATOM 68 O ARG A 141 29.077 0.329 -12.381 1.00 0.00 O ATOM 69 CB ARG A 141 29.180 -1.044 -15.357 1.00 0.00 C ATOM 70 CG ARG A 141 30.127 -1.942 -16.155 1.00 0.00 C ATOM 71 CD ARG A 141 30.119 -1.517 -17.624 1.00 0.00 C ATOM 72 NE ARG A 141 30.642 -0.162 -17.759 1.00 0.00 N ATOM 73 CZ ARG A 141 30.644 0.460 -18.933 1.00 0.00 C ATOM 74 NH1 ARG A 141 30.170 -0.140 -19.991 1.00 0.00 N ATOM 75 NH2 ARG A 141 31.117 1.673 -19.029 1.00 0.00 N ATOM 0 H ARG A 141 27.989 -3.101 -14.710 1.00 0.00 H new ATOM 0 HA ARG A 141 30.133 -1.674 -13.531 1.00 0.00 H new ATOM 0 HB2 ARG A 141 28.184 -1.064 -15.799 1.00 0.00 H new ATOM 0 HB3 ARG A 141 29.524 -0.011 -15.394 1.00 0.00 H new ATOM 0 HG2 ARG A 141 31.137 -1.873 -15.751 1.00 0.00 H new ATOM 0 HG3 ARG A 141 29.819 -2.984 -16.065 1.00 0.00 H new ATOM 0 HD2 ARG A 141 30.722 -2.208 -18.213 1.00 0.00 H new ATOM 0 HD3 ARG A 141 29.104 -1.564 -18.018 1.00 0.00 H new ATOM 0 HE ARG A 141 31.013 0.316 -16.938 1.00 0.00 H new ATOM 0 HH11 ARG A 141 29.798 -1.087 -19.917 1.00 0.00 H new ATOM 0 HH12 ARG A 141 30.172 0.338 -20.892 1.00 0.00 H new ATOM 0 HH21 ARG A 141 31.485 2.144 -18.202 1.00 0.00 H new ATOM 0 HH22 ARG A 141 31.118 2.150 -19.931 1.00 0.00 H new ATOM 89 N GLU A 142 27.095 -0.486 -13.069 1.00 0.00 N ATOM 90 CA GLU A 142 26.320 0.470 -12.286 1.00 0.00 C ATOM 91 C GLU A 142 26.441 0.168 -10.797 1.00 0.00 C ATOM 92 O GLU A 142 26.544 1.079 -9.975 1.00 0.00 O ATOM 93 CB GLU A 142 24.849 0.414 -12.702 1.00 0.00 C ATOM 94 CG GLU A 142 24.699 0.954 -14.126 1.00 0.00 C ATOM 95 CD GLU A 142 23.251 0.822 -14.584 1.00 0.00 C ATOM 96 OE1 GLU A 142 22.452 0.312 -13.816 1.00 0.00 O ATOM 97 OE2 GLU A 142 22.962 1.232 -15.696 1.00 0.00 O ATOM 0 H GLU A 142 26.536 -1.141 -13.616 1.00 0.00 H new ATOM 0 HA GLU A 142 26.714 1.469 -12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 142 24.485 -0.612 -12.651 1.00 0.00 H new ATOM 0 HB3 GLU A 142 24.243 1.002 -12.013 1.00 0.00 H new ATOM 0 HG2 GLU A 142 25.006 1.999 -14.162 1.00 0.00 H new ATOM 0 HG3 GLU A 142 25.354 0.406 -14.803 1.00 0.00 H new ATOM 104 N ARG A 143 26.429 -1.117 -10.455 1.00 0.00 N ATOM 105 CA ARG A 143 26.540 -1.527 -9.061 1.00 0.00 C ATOM 106 C ARG A 143 27.856 -1.039 -8.462 1.00 0.00 C ATOM 107 O ARG A 143 27.892 -0.562 -7.327 1.00 0.00 O ATOM 108 CB ARG A 143 26.463 -3.051 -8.957 1.00 0.00 C ATOM 109 CG ARG A 143 26.431 -3.462 -7.483 1.00 0.00 C ATOM 110 CD ARG A 143 24.997 -3.376 -6.959 1.00 0.00 C ATOM 111 NE ARG A 143 24.945 -3.795 -5.563 1.00 0.00 N ATOM 112 CZ ARG A 143 24.752 -5.067 -5.234 1.00 0.00 C ATOM 113 NH1 ARG A 143 24.606 -5.967 -6.168 1.00 0.00 N ATOM 114 NH2 ARG A 143 24.708 -5.417 -3.978 1.00 0.00 N ATOM 0 H ARG A 143 26.344 -1.886 -11.119 1.00 0.00 H new ATOM 0 HA ARG A 143 25.714 -1.083 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 143 25.571 -3.416 -9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 143 27.322 -3.504 -9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 143 26.810 -4.478 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 143 27.082 -2.811 -6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 143 24.628 -2.355 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 143 24.344 -4.008 -7.561 1.00 0.00 H new ATOM 0 HE ARG A 143 25.059 -3.099 -4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 143 24.640 -5.693 -7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 143 24.458 -6.944 -5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 143 24.822 -4.714 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 143 24.560 -6.394 -3.726 1.00 0.00 H new ATOM 128 N MET A 144 28.933 -1.161 -9.230 1.00 0.00 N ATOM 129 CA MET A 144 30.246 -0.735 -8.761 1.00 0.00 C ATOM 130 C MET A 144 30.232 0.749 -8.410 1.00 0.00 C ATOM 131 O MET A 144 30.818 1.167 -7.411 1.00 0.00 O ATOM 132 CB MET A 144 31.299 -0.998 -9.839 1.00 0.00 C ATOM 133 CG MET A 144 32.683 -0.630 -9.302 1.00 0.00 C ATOM 134 SD MET A 144 33.934 -0.996 -10.559 1.00 0.00 S ATOM 135 CE MET A 144 33.830 0.577 -11.447 1.00 0.00 C ATOM 0 H MET A 144 28.924 -1.549 -10.173 1.00 0.00 H new ATOM 0 HA MET A 144 30.495 -1.307 -7.867 1.00 0.00 H new ATOM 0 HB2 MET A 144 31.279 -2.047 -10.134 1.00 0.00 H new ATOM 0 HB3 MET A 144 31.076 -0.412 -10.731 1.00 0.00 H new ATOM 0 HG2 MET A 144 32.714 0.428 -9.040 1.00 0.00 H new ATOM 0 HG3 MET A 144 32.892 -1.191 -8.391 1.00 0.00 H new ATOM 0 HE1 MET A 144 34.532 0.571 -12.281 1.00 0.00 H new ATOM 0 HE2 MET A 144 32.817 0.715 -11.826 1.00 0.00 H new ATOM 0 HE3 MET A 144 34.078 1.394 -10.770 1.00 0.00 H new ATOM 145 N ILE A 145 29.558 1.541 -9.239 1.00 0.00 N ATOM 146 CA ILE A 145 29.466 2.977 -9.000 1.00 0.00 C ATOM 147 C ILE A 145 28.767 3.253 -7.673 1.00 0.00 C ATOM 148 O ILE A 145 29.182 4.129 -6.914 1.00 0.00 O ATOM 149 CB ILE A 145 28.691 3.646 -10.137 1.00 0.00 C ATOM 150 CG1 ILE A 145 29.516 3.575 -11.425 1.00 0.00 C ATOM 151 CG2 ILE A 145 28.427 5.110 -9.782 1.00 0.00 C ATOM 152 CD1 ILE A 145 28.653 4.015 -12.609 1.00 0.00 C ATOM 0 H ILE A 145 29.072 1.216 -10.075 1.00 0.00 H new ATOM 0 HA ILE A 145 30.475 3.387 -8.959 1.00 0.00 H new ATOM 0 HB ILE A 145 27.742 3.131 -10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 145 30.394 4.216 -11.343 1.00 0.00 H new ATOM 0 HG13 ILE A 145 29.877 2.559 -11.582 1.00 0.00 H new ATOM 0 HG21 ILE A 145 27.875 5.587 -10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 145 27.842 5.162 -8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 145 29.376 5.626 -9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 145 29.240 3.965 -13.526 1.00 0.00 H new ATOM 0 HD12 ILE A 145 27.789 3.356 -12.695 1.00 0.00 H new ATOM 0 HD13 ILE A 145 28.314 5.039 -12.451 1.00 0.00 H new ATOM 164 N LYS A 146 27.705 2.501 -7.400 1.00 0.00 N ATOM 165 CA LYS A 146 26.956 2.678 -6.162 1.00 0.00 C ATOM 166 C LYS A 146 27.807 2.279 -4.960 1.00 0.00 C ATOM 167 O LYS A 146 27.824 2.972 -3.944 1.00 0.00 O ATOM 168 CB LYS A 146 25.685 1.826 -6.194 1.00 0.00 C ATOM 169 CG LYS A 146 24.733 2.370 -7.262 1.00 0.00 C ATOM 170 CD LYS A 146 23.465 1.516 -7.299 1.00 0.00 C ATOM 171 CE LYS A 146 22.527 2.039 -8.389 1.00 0.00 C ATOM 172 NZ LYS A 146 21.918 3.324 -7.945 1.00 0.00 N ATOM 0 H LYS A 146 27.347 1.769 -8.014 1.00 0.00 H new ATOM 0 HA LYS A 146 26.686 3.730 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 146 25.936 0.788 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 146 25.200 1.840 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 146 24.479 3.407 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 146 25.220 2.360 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 146 23.721 0.475 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 146 22.966 1.545 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 146 23.078 2.187 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 146 21.747 1.306 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 21.136 3.576 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 21.554 3.219 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 22.638 4.075 -7.966 1.00 0.00 H new ATOM 186 N GLN A 147 28.513 1.161 -5.087 1.00 0.00 N ATOM 187 CA GLN A 147 29.365 0.680 -4.006 1.00 0.00 C ATOM 188 C GLN A 147 30.476 1.684 -3.716 1.00 0.00 C ATOM 189 O GLN A 147 30.770 1.984 -2.559 1.00 0.00 O ATOM 190 CB GLN A 147 29.978 -0.670 -4.382 1.00 0.00 C ATOM 191 CG GLN A 147 28.870 -1.717 -4.511 1.00 0.00 C ATOM 192 CD GLN A 147 28.181 -1.913 -3.165 1.00 0.00 C ATOM 193 OE1 GLN A 147 28.847 -2.081 -2.143 1.00 0.00 O ATOM 194 NE2 GLN A 147 26.877 -1.904 -3.101 1.00 0.00 N ATOM 0 H GLN A 147 28.513 0.574 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 147 28.754 0.562 -3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 147 30.523 -0.584 -5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 147 30.697 -0.978 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 147 28.143 -1.399 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 147 29.289 -2.662 -4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 147 26.326 -1.765 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 147 26.409 -2.036 -2.204 1.00 0.00 H new ATOM 203 N LEU A 148 31.089 2.200 -4.776 1.00 0.00 N ATOM 204 CA LEU A 148 32.172 3.165 -4.623 1.00 0.00 C ATOM 205 C LEU A 148 31.657 4.448 -3.979 1.00 0.00 C ATOM 206 O LEU A 148 32.344 5.066 -3.167 1.00 0.00 O ATOM 207 CB LEU A 148 32.782 3.488 -5.989 1.00 0.00 C ATOM 208 CG LEU A 148 33.535 2.265 -6.515 1.00 0.00 C ATOM 209 CD1 LEU A 148 33.965 2.512 -7.962 1.00 0.00 C ATOM 210 CD2 LEU A 148 34.773 2.021 -5.650 1.00 0.00 C ATOM 0 H LEU A 148 30.857 1.969 -5.742 1.00 0.00 H new ATOM 0 HA LEU A 148 32.935 2.728 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 148 31.998 3.775 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 148 33.460 4.337 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 148 32.884 1.392 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 148 34.502 1.640 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 148 33.083 2.688 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 148 34.617 3.385 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 148 35.311 1.150 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 148 35.424 2.895 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 148 34.467 1.845 -4.619 1.00 0.00 H new ATOM 222 N LYS A 149 30.441 4.840 -4.346 1.00 0.00 N ATOM 223 CA LYS A 149 29.845 6.055 -3.805 1.00 0.00 C ATOM 224 C LYS A 149 29.637 5.922 -2.301 1.00 0.00 C ATOM 225 O LYS A 149 29.797 6.888 -1.554 1.00 0.00 O ATOM 226 CB LYS A 149 28.502 6.327 -4.486 1.00 0.00 C ATOM 227 CG LYS A 149 27.956 7.676 -4.018 1.00 0.00 C ATOM 228 CD LYS A 149 26.613 7.948 -4.697 1.00 0.00 C ATOM 229 CE LYS A 149 26.087 9.318 -4.264 1.00 0.00 C ATOM 230 NZ LYS A 149 24.806 9.604 -4.968 1.00 0.00 N ATOM 0 H LYS A 149 29.853 4.338 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 149 30.523 6.887 -3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 149 28.625 6.329 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 149 27.794 5.534 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 149 27.834 7.675 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 149 28.664 8.469 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 149 26.729 7.918 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 149 25.896 7.171 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 149 25.933 9.336 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 149 26.821 10.090 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 24.449 10.535 -4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 24.967 9.604 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 24.107 8.873 -4.727 1.00 0.00 H new ATOM 244 N GLU A 150 29.279 4.720 -1.862 1.00 0.00 N ATOM 245 CA GLU A 150 29.037 4.476 -0.444 1.00 0.00 C ATOM 246 C GLU A 150 30.343 4.546 0.340 1.00 0.00 C ATOM 247 O GLU A 150 30.390 5.100 1.437 1.00 0.00 O ATOM 248 CB GLU A 150 28.397 3.099 -0.253 1.00 0.00 C ATOM 249 CG GLU A 150 26.989 3.102 -0.852 1.00 0.00 C ATOM 250 CD GLU A 150 26.089 4.044 -0.060 1.00 0.00 C ATOM 251 OE1 GLU A 150 26.418 4.328 1.080 1.00 0.00 O ATOM 252 OE2 GLU A 150 25.084 4.469 -0.606 1.00 0.00 O ATOM 0 H GLU A 150 29.151 3.905 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 150 28.360 5.245 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 150 29.006 2.333 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 150 28.352 2.851 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 150 27.029 3.415 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 150 26.576 2.093 -0.838 1.00 0.00 H new ATOM 259 N GLU A 151 31.402 3.983 -0.234 1.00 0.00 N ATOM 260 CA GLU A 151 32.706 3.990 0.419 1.00 0.00 C ATOM 261 C GLU A 151 33.252 5.411 0.503 1.00 0.00 C ATOM 262 O GLU A 151 33.996 5.747 1.425 1.00 0.00 O ATOM 263 CB GLU A 151 33.685 3.110 -0.359 1.00 0.00 C ATOM 264 CG GLU A 151 35.002 3.005 0.413 1.00 0.00 C ATOM 265 CD GLU A 151 34.792 2.209 1.697 1.00 0.00 C ATOM 266 OE1 GLU A 151 33.708 1.677 1.870 1.00 0.00 O ATOM 267 OE2 GLU A 151 35.718 2.143 2.488 1.00 0.00 O ATOM 0 H GLU A 151 31.383 3.520 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 151 32.589 3.596 1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 151 33.259 2.118 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 151 33.864 3.533 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 151 35.758 2.521 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 151 35.375 4.002 0.650 1.00 0.00 H new ATOM 274 N LEU A 152 32.876 6.242 -0.463 1.00 0.00 N ATOM 275 CA LEU A 152 33.349 7.622 -0.497 1.00 0.00 C ATOM 276 C LEU A 152 32.753 8.419 0.659 1.00 0.00 C ATOM 277 O LEU A 152 33.391 9.327 1.193 1.00 0.00 O ATOM 278 CB LEU A 152 32.960 8.275 -1.824 1.00 0.00 C ATOM 279 CG LEU A 152 33.942 7.842 -2.914 1.00 0.00 C ATOM 280 CD1 LEU A 152 33.274 7.969 -4.284 1.00 0.00 C ATOM 281 CD2 LEU A 152 35.180 8.740 -2.867 1.00 0.00 C ATOM 0 H LEU A 152 32.250 5.988 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 152 34.435 7.618 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 152 31.945 7.988 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 152 32.968 9.360 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 152 34.235 6.805 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 152 33.974 7.660 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 152 32.390 7.332 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 152 32.981 9.005 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 152 35.882 8.433 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 152 34.885 9.776 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 152 35.657 8.651 -1.891 1.00 0.00 H new ATOM 293 N ARG A 153 31.529 8.073 1.041 1.00 0.00 N ATOM 294 CA ARG A 153 30.848 8.780 2.120 1.00 0.00 C ATOM 295 C ARG A 153 31.578 8.566 3.441 1.00 0.00 C ATOM 296 O ARG A 153 31.845 9.518 4.175 1.00 0.00 O ATOM 297 CB ARG A 153 29.406 8.281 2.244 1.00 0.00 C ATOM 298 CG ARG A 153 28.680 9.083 3.326 1.00 0.00 C ATOM 299 CD ARG A 153 27.261 8.537 3.500 1.00 0.00 C ATOM 300 NE ARG A 153 26.487 9.415 4.369 1.00 0.00 N ATOM 301 CZ ARG A 153 25.343 9.010 4.911 1.00 0.00 C ATOM 302 NH1 ARG A 153 24.896 7.807 4.669 1.00 0.00 N ATOM 303 NH2 ARG A 153 24.666 9.814 5.685 1.00 0.00 N ATOM 0 H ARG A 153 30.991 7.313 0.624 1.00 0.00 H new ATOM 0 HA ARG A 153 30.844 9.845 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 153 28.890 8.387 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 153 29.397 7.220 2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 153 29.224 9.018 4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 153 28.644 10.137 3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 153 26.774 8.453 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 153 27.299 7.534 3.925 1.00 0.00 H new ATOM 0 HE ARG A 153 26.829 10.356 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 153 25.425 7.179 4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.018 7.496 5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 153 25.015 10.754 5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 153 23.788 9.503 6.101 1.00 0.00 H new ATOM 317 N LEU A 154 31.900 7.311 3.737 1.00 0.00 N ATOM 318 CA LEU A 154 32.587 6.981 4.981 1.00 0.00 C ATOM 319 C LEU A 154 34.081 7.258 4.854 1.00 0.00 C ATOM 320 O LEU A 154 34.720 7.718 5.800 1.00 0.00 O ATOM 321 CB LEU A 154 32.366 5.507 5.326 1.00 0.00 C ATOM 322 CG LEU A 154 32.829 4.634 4.159 1.00 0.00 C ATOM 323 CD1 LEU A 154 34.268 4.177 4.403 1.00 0.00 C ATOM 324 CD2 LEU A 154 31.918 3.409 4.046 1.00 0.00 C ATOM 0 H LEU A 154 31.698 6.511 3.138 1.00 0.00 H new ATOM 0 HA LEU A 154 32.179 7.604 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 154 32.918 5.247 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 154 31.311 5.325 5.534 1.00 0.00 H new ATOM 0 HG LEU A 154 32.782 5.209 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 154 34.598 3.555 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 154 34.918 5.048 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 154 34.315 3.602 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 154 32.247 2.786 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 154 31.965 2.834 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 154 30.892 3.733 3.872 1.00 0.00 H new ATOM 336 N GLU A 155 34.632 6.974 3.678 1.00 0.00 N ATOM 337 CA GLU A 155 36.054 7.189 3.440 1.00 0.00 C ATOM 338 C GLU A 155 36.396 8.670 3.558 1.00 0.00 C ATOM 339 O GLU A 155 37.408 9.038 4.156 1.00 0.00 O ATOM 340 CB GLU A 155 36.432 6.685 2.046 1.00 0.00 C ATOM 341 CG GLU A 155 37.936 6.863 1.829 1.00 0.00 C ATOM 342 CD GLU A 155 38.710 5.982 2.804 1.00 0.00 C ATOM 343 OE1 GLU A 155 38.137 5.019 3.285 1.00 0.00 O ATOM 344 OE2 GLU A 155 39.865 6.284 3.056 1.00 0.00 O ATOM 0 H GLU A 155 34.119 6.597 2.881 1.00 0.00 H new ATOM 0 HA GLU A 155 36.618 6.636 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 155 36.161 5.634 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 155 35.877 7.235 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 155 38.197 6.602 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 155 38.212 7.908 1.972 1.00 0.00 H new ATOM 351 N GLU A 156 35.546 9.516 2.986 1.00 0.00 N ATOM 352 CA GLU A 156 35.767 10.956 3.036 1.00 0.00 C ATOM 353 C GLU A 156 35.514 11.487 4.444 1.00 0.00 C ATOM 354 O GLU A 156 36.267 12.320 4.948 1.00 0.00 O ATOM 355 CB GLU A 156 34.836 11.663 2.048 1.00 0.00 C ATOM 356 CG GLU A 156 35.279 11.351 0.617 1.00 0.00 C ATOM 357 CD GLU A 156 34.319 11.995 -0.378 1.00 0.00 C ATOM 358 OE1 GLU A 156 33.396 12.659 0.064 1.00 0.00 O ATOM 359 OE2 GLU A 156 34.521 11.813 -1.567 1.00 0.00 O ATOM 0 H GLU A 156 34.704 9.232 2.486 1.00 0.00 H new ATOM 0 HA GLU A 156 36.804 11.155 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 156 33.808 11.334 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 156 34.856 12.739 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 156 36.290 11.722 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 156 35.306 10.272 0.463 1.00 0.00 H new ATOM 366 N ALA A 157 34.452 10.997 5.073 1.00 0.00 N ATOM 367 CA ALA A 157 34.114 11.421 6.426 1.00 0.00 C ATOM 368 C ALA A 157 35.345 11.368 7.326 1.00 0.00 C ATOM 369 O ALA A 157 35.651 12.327 8.033 1.00 0.00 O ATOM 370 CB ALA A 157 33.020 10.520 7.000 1.00 0.00 C ATOM 0 H ALA A 157 33.814 10.310 4.671 1.00 0.00 H new ATOM 0 HA ALA A 157 33.751 12.448 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.774 10.845 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 157 32.131 10.583 6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.374 9.489 7.026 1.00 0.00 H new ATOM 376 N LYS A 158 36.047 10.240 7.291 1.00 0.00 N ATOM 377 CA LYS A 158 37.246 10.073 8.106 1.00 0.00 C ATOM 378 C LYS A 158 38.256 11.174 7.802 1.00 0.00 C ATOM 379 O LYS A 158 38.865 11.740 8.710 1.00 0.00 O ATOM 380 CB LYS A 158 37.878 8.707 7.833 1.00 0.00 C ATOM 381 CG LYS A 158 38.737 8.293 9.029 1.00 0.00 C ATOM 382 CD LYS A 158 39.230 6.858 8.830 1.00 0.00 C ATOM 383 CE LYS A 158 40.334 6.839 7.771 1.00 0.00 C ATOM 384 NZ LYS A 158 41.032 5.523 7.805 1.00 0.00 N ATOM 0 H LYS A 158 35.810 9.434 6.713 1.00 0.00 H new ATOM 0 HA LYS A 158 36.961 10.136 9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 158 37.101 7.964 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 158 38.489 8.751 6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 158 39.585 8.969 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 158 38.157 8.366 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 158 39.608 6.458 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 158 38.404 6.218 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 158 39.908 7.011 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 158 41.045 7.645 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 41.783 5.509 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 41.451 5.377 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 40.350 4.763 7.608 1.00 0.00 H new ATOM 398 N LEU A 159 38.427 11.474 6.518 1.00 0.00 N ATOM 399 CA LEU A 159 39.364 12.513 6.106 1.00 0.00 C ATOM 400 C LEU A 159 38.972 13.857 6.711 1.00 0.00 C ATOM 401 O LEU A 159 39.812 14.572 7.257 1.00 0.00 O ATOM 402 CB LEU A 159 39.383 12.625 4.580 1.00 0.00 C ATOM 403 CG LEU A 159 40.398 11.635 4.007 1.00 0.00 C ATOM 404 CD1 LEU A 159 39.796 10.228 4.009 1.00 0.00 C ATOM 405 CD2 LEU A 159 40.748 12.037 2.573 1.00 0.00 C ATOM 0 H LEU A 159 37.934 11.017 5.751 1.00 0.00 H new ATOM 0 HA LEU A 159 40.358 12.242 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 159 38.391 12.419 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 159 39.643 13.641 4.283 1.00 0.00 H new ATOM 0 HG LEU A 159 41.300 11.645 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 159 40.519 9.522 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 159 39.546 9.941 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 159 38.894 10.217 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 159 41.471 11.332 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 159 39.846 12.027 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 159 41.177 13.039 2.570 1.00 0.00 H new ATOM 417 N VAL A 160 37.689 14.193 6.614 1.00 0.00 N ATOM 418 CA VAL A 160 37.192 15.445 7.173 1.00 0.00 C ATOM 419 C VAL A 160 37.416 15.481 8.681 1.00 0.00 C ATOM 420 O VAL A 160 37.869 16.487 9.227 1.00 0.00 O ATOM 421 CB VAL A 160 35.701 15.597 6.870 1.00 0.00 C ATOM 422 CG1 VAL A 160 35.144 16.797 7.638 1.00 0.00 C ATOM 423 CG2 VAL A 160 35.505 15.817 5.369 1.00 0.00 C ATOM 0 H VAL A 160 36.979 13.620 6.157 1.00 0.00 H new ATOM 0 HA VAL A 160 37.739 16.270 6.716 1.00 0.00 H new ATOM 0 HB VAL A 160 35.174 14.693 7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 160 34.081 16.906 7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.283 16.641 8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 160 35.671 17.701 7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 160 34.442 15.925 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 160 36.032 16.721 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 160 35.901 14.962 4.821 1.00 0.00 H new ATOM 433 N LEU A 161 37.095 14.377 9.348 1.00 0.00 N ATOM 434 CA LEU A 161 37.266 14.293 10.793 1.00 0.00 C ATOM 435 C LEU A 161 38.738 14.434 11.165 1.00 0.00 C ATOM 436 O LEU A 161 39.082 15.106 12.138 1.00 0.00 O ATOM 437 CB LEU A 161 36.734 12.954 11.306 1.00 0.00 C ATOM 438 CG LEU A 161 35.206 13.003 11.374 1.00 0.00 C ATOM 439 CD1 LEU A 161 34.643 11.585 11.261 1.00 0.00 C ATOM 440 CD2 LEU A 161 34.775 13.618 12.707 1.00 0.00 C ATOM 0 H LEU A 161 36.718 13.534 8.914 1.00 0.00 H new ATOM 0 HA LEU A 161 36.705 15.106 11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 161 37.053 12.147 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 161 37.146 12.741 12.293 1.00 0.00 H new ATOM 0 HG LEU A 161 34.826 13.610 10.553 1.00 0.00 H new ATOM 0 HD11 LEU A 161 33.555 11.621 11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 161 34.950 11.146 10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 161 35.023 10.976 12.081 1.00 0.00 H new ATOM 0 HD21 LEU A 161 33.687 13.653 12.756 1.00 0.00 H new ATOM 0 HD22 LEU A 161 35.156 13.011 13.528 1.00 0.00 H new ATOM 0 HD23 LEU A 161 35.175 14.629 12.788 1.00 0.00 H new ATOM 452 N LEU A 162 39.604 13.796 10.384 1.00 0.00 N ATOM 453 CA LEU A 162 41.039 13.865 10.634 1.00 0.00 C ATOM 454 C LEU A 162 41.523 15.310 10.567 1.00 0.00 C ATOM 455 O LEU A 162 42.382 15.723 11.346 1.00 0.00 O ATOM 456 CB LEU A 162 41.791 13.024 9.600 1.00 0.00 C ATOM 457 CG LEU A 162 43.296 13.125 9.856 1.00 0.00 C ATOM 458 CD1 LEU A 162 43.604 12.656 11.278 1.00 0.00 C ATOM 459 CD2 LEU A 162 44.041 12.241 8.855 1.00 0.00 C ATOM 0 H LEU A 162 39.340 13.229 9.578 1.00 0.00 H new ATOM 0 HA LEU A 162 41.235 13.473 11.632 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.470 11.984 9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 162 41.558 13.372 8.594 1.00 0.00 H new ATOM 0 HG LEU A 162 43.617 14.160 9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 162 44.676 12.728 11.461 1.00 0.00 H new ATOM 0 HD12 LEU A 162 43.071 13.284 11.992 1.00 0.00 H new ATOM 0 HD13 LEU A 162 43.284 11.621 11.397 1.00 0.00 H new ATOM 0 HD21 LEU A 162 45.114 12.311 9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 162 43.720 11.206 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 162 43.821 12.575 7.841 1.00 0.00 H new ATOM 471 N LYS A 163 40.965 16.072 9.633 1.00 0.00 N ATOM 472 CA LYS A 163 41.339 17.473 9.480 1.00 0.00 C ATOM 473 C LYS A 163 41.006 18.257 10.745 1.00 0.00 C ATOM 474 O LYS A 163 41.800 19.075 11.207 1.00 0.00 O ATOM 475 CB LYS A 163 40.599 18.084 8.289 1.00 0.00 C ATOM 476 CG LYS A 163 41.086 19.517 8.064 1.00 0.00 C ATOM 477 CD LYS A 163 40.376 20.113 6.848 1.00 0.00 C ATOM 478 CE LYS A 163 40.885 21.535 6.606 1.00 0.00 C ATOM 479 NZ LYS A 163 40.353 22.441 7.662 1.00 0.00 N ATOM 0 H LYS A 163 40.257 15.746 8.975 1.00 0.00 H new ATOM 0 HA LYS A 163 42.414 17.526 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 163 40.772 17.486 7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 163 39.525 18.079 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 163 40.887 20.123 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 163 42.165 19.525 7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 163 40.558 19.496 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 163 39.298 20.124 7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 163 41.975 21.549 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 163 40.570 21.882 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 39.975 23.304 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 39.594 21.958 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 41.118 22.695 8.319 1.00 0.00 H new ATOM 493 N LYS A 164 39.825 17.999 11.299 1.00 0.00 N ATOM 494 CA LYS A 164 39.398 18.684 12.514 1.00 0.00 C ATOM 495 C LYS A 164 40.314 18.327 13.680 1.00 0.00 C ATOM 496 O LYS A 164 40.622 19.171 14.521 1.00 0.00 O ATOM 497 CB LYS A 164 37.958 18.295 12.854 1.00 0.00 C ATOM 498 CG LYS A 164 37.040 18.664 11.687 1.00 0.00 C ATOM 499 CD LYS A 164 36.753 20.166 11.718 1.00 0.00 C ATOM 500 CE LYS A 164 35.789 20.525 10.586 1.00 0.00 C ATOM 501 NZ LYS A 164 35.513 21.989 10.614 1.00 0.00 N ATOM 0 H LYS A 164 39.152 17.327 10.930 1.00 0.00 H new ATOM 0 HA LYS A 164 39.452 19.759 12.341 1.00 0.00 H new ATOM 0 HB2 LYS A 164 37.897 17.225 13.054 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.636 18.808 13.760 1.00 0.00 H new ATOM 0 HG2 LYS A 164 37.509 18.392 10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 164 36.107 18.103 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 164 36.322 20.445 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 164 37.682 20.727 11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 164 36.219 20.244 9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 164 34.859 19.967 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 34.858 22.233 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 35.086 22.244 11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 36.403 22.512 10.490 1.00 0.00 H new ATOM 515 N LEU A 165 40.747 17.071 13.721 1.00 0.00 N ATOM 516 CA LEU A 165 41.638 16.616 14.782 1.00 0.00 C ATOM 517 C LEU A 165 42.964 17.366 14.724 1.00 0.00 C ATOM 518 O LEU A 165 43.537 17.716 15.756 1.00 0.00 O ATOM 519 CB LEU A 165 41.892 15.114 14.642 1.00 0.00 C ATOM 520 CG LEU A 165 40.598 14.349 14.924 1.00 0.00 C ATOM 521 CD1 LEU A 165 40.810 12.862 14.630 1.00 0.00 C ATOM 522 CD2 LEU A 165 40.211 14.527 16.394 1.00 0.00 C ATOM 0 H LEU A 165 40.498 16.356 13.038 1.00 0.00 H new ATOM 0 HA LEU A 165 41.162 16.815 15.742 1.00 0.00 H new ATOM 0 HB2 LEU A 165 42.250 14.887 13.638 1.00 0.00 H new ATOM 0 HB3 LEU A 165 42.671 14.800 15.336 1.00 0.00 H new ATOM 0 HG LEU A 165 39.801 14.736 14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 165 39.888 12.316 14.831 1.00 0.00 H new ATOM 0 HD12 LEU A 165 41.087 12.734 13.584 1.00 0.00 H new ATOM 0 HD13 LEU A 165 41.606 12.475 15.266 1.00 0.00 H new ATOM 0 HD21 LEU A 165 39.289 13.982 16.596 1.00 0.00 H new ATOM 0 HD22 LEU A 165 41.008 14.140 17.029 1.00 0.00 H new ATOM 0 HD23 LEU A 165 40.060 15.586 16.605 1.00 0.00 H new ATOM 534 N ARG A 166 43.447 17.608 13.510 1.00 0.00 N ATOM 535 CA ARG A 166 44.710 18.314 13.327 1.00 0.00 C ATOM 536 C ARG A 166 44.620 19.727 13.895 1.00 0.00 C ATOM 537 O ARG A 166 45.547 20.202 14.551 1.00 0.00 O ATOM 538 CB ARG A 166 45.058 18.381 11.838 1.00 0.00 C ATOM 539 CG ARG A 166 46.413 19.071 11.661 1.00 0.00 C ATOM 540 CD ARG A 166 46.782 19.093 10.177 1.00 0.00 C ATOM 541 NE ARG A 166 48.116 19.657 9.997 1.00 0.00 N ATOM 542 CZ ARG A 166 48.625 19.840 8.783 1.00 0.00 C ATOM 543 NH1 ARG A 166 47.931 19.513 7.728 1.00 0.00 N ATOM 544 NH2 ARG A 166 49.820 20.346 8.647 1.00 0.00 N ATOM 0 H ARG A 166 42.987 17.328 12.644 1.00 0.00 H new ATOM 0 HA ARG A 166 45.491 17.770 13.859 1.00 0.00 H new ATOM 0 HB2 ARG A 166 45.092 17.377 11.416 1.00 0.00 H new ATOM 0 HB3 ARG A 166 44.286 18.928 11.297 1.00 0.00 H new ATOM 0 HG2 ARG A 166 46.369 20.088 12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 166 47.179 18.544 12.230 1.00 0.00 H new ATOM 0 HD2 ARG A 166 46.749 18.082 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 166 46.052 19.683 9.622 1.00 0.00 H new ATOM 0 HE ARG A 166 48.667 19.915 10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 166 46.997 19.117 7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 166 48.322 19.654 6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 166 50.363 20.601 9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 166 50.211 20.487 7.716 1.00 0.00 H new ATOM 558 N GLN A 167 43.498 20.392 13.640 1.00 0.00 N ATOM 559 CA GLN A 167 43.302 21.753 14.125 1.00 0.00 C ATOM 560 C GLN A 167 42.934 21.746 15.605 1.00 0.00 C ATOM 561 O GLN A 167 43.023 22.770 16.281 1.00 0.00 O ATOM 562 CB GLN A 167 42.194 22.438 13.323 1.00 0.00 C ATOM 563 CG GLN A 167 42.668 22.663 11.886 1.00 0.00 C ATOM 564 CD GLN A 167 41.546 23.281 11.057 1.00 0.00 C ATOM 565 OE1 GLN A 167 41.746 23.539 9.795 1.00 0.00 O flip ATOM 566 NE2 GLN A 167 40.458 23.535 11.575 1.00 0.00 N flip ATOM 0 H GLN A 167 42.716 20.014 13.105 1.00 0.00 H new ATOM 0 HA GLN A 167 44.234 22.303 13.998 1.00 0.00 H new ATOM 0 HB2 GLN A 167 41.294 21.823 13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 167 41.932 23.390 13.784 1.00 0.00 H new ATOM 0 HG2 GLN A 167 43.539 23.318 11.880 1.00 0.00 H new ATOM 0 HG3 GLN A 167 42.978 21.716 11.444 1.00 0.00 H new ATOM 0 HE21 GLN A 167 40.304 23.332 12.563 1.00 0.00 H new ATOM 0 HE22 GLN A 167 39.711 23.948 11.016 1.00 0.00 H new ATOM 575 N SER A 168 42.520 20.584 16.101 1.00 0.00 N ATOM 576 CA SER A 168 42.134 20.458 17.502 1.00 0.00 C ATOM 577 C SER A 168 43.350 20.624 18.408 1.00 0.00 C ATOM 578 O SER A 168 43.273 21.266 19.455 1.00 0.00 O ATOM 579 CB SER A 168 41.496 19.091 17.747 1.00 0.00 C ATOM 580 OG SER A 168 41.106 18.993 19.110 1.00 0.00 O ATOM 0 H SER A 168 42.444 19.723 15.559 1.00 0.00 H new ATOM 0 HA SER A 168 41.412 21.241 17.733 1.00 0.00 H new ATOM 0 HB2 SER A 168 40.630 18.960 17.098 1.00 0.00 H new ATOM 0 HB3 SER A 168 42.202 18.298 17.501 1.00 0.00 H new ATOM 0 HG SER A 168 40.695 18.118 19.271 1.00 0.00 H new ATOM 586 N GLN A 169 44.471 20.041 17.998 1.00 0.00 N ATOM 587 CA GLN A 169 45.699 20.134 18.779 1.00 0.00 C ATOM 588 C GLN A 169 45.886 21.551 19.312 1.00 0.00 C ATOM 589 O GLN A 169 45.720 21.802 20.506 1.00 0.00 O ATOM 590 CB GLN A 169 46.900 19.752 17.911 1.00 0.00 C ATOM 591 CG GLN A 169 48.091 19.409 18.810 1.00 0.00 C ATOM 592 CD GLN A 169 47.859 18.064 19.491 1.00 0.00 C ATOM 593 OE1 GLN A 169 47.215 17.183 18.923 1.00 0.00 O ATOM 594 NE2 GLN A 169 48.349 17.854 20.681 1.00 0.00 N ATOM 0 H GLN A 169 44.555 19.503 17.136 1.00 0.00 H new ATOM 0 HA GLN A 169 45.626 19.446 19.621 1.00 0.00 H new ATOM 0 HB2 GLN A 169 46.650 18.899 17.280 1.00 0.00 H new ATOM 0 HB3 GLN A 169 47.158 20.576 17.246 1.00 0.00 H new ATOM 0 HG2 GLN A 169 49.006 19.374 18.218 1.00 0.00 H new ATOM 0 HG3 GLN A 169 48.227 20.188 19.561 1.00 0.00 H new ATOM 0 HE21 GLN A 169 48.883 18.586 21.149 1.00 0.00 H new ATOM 0 HE22 GLN A 169 48.199 16.957 21.143 1.00 0.00 H new ATOM 823 N ILE B 214 48.762 11.507 17.590 1.00 0.00 N ATOM 824 CA ILE B 214 49.506 12.524 16.855 1.00 0.00 C ATOM 825 C ILE B 214 49.274 12.378 15.355 1.00 0.00 C ATOM 826 O ILE B 214 49.474 11.303 14.788 1.00 0.00 O ATOM 827 CB ILE B 214 51.000 12.396 17.157 1.00 0.00 C ATOM 828 CG1 ILE B 214 51.245 12.683 18.640 1.00 0.00 C ATOM 829 CG2 ILE B 214 51.780 13.403 16.309 1.00 0.00 C ATOM 830 CD1 ILE B 214 52.683 12.306 19.003 1.00 0.00 C ATOM 0 HA ILE B 214 49.154 13.506 17.171 1.00 0.00 H new ATOM 0 HB ILE B 214 51.334 11.386 16.921 1.00 0.00 H new ATOM 0 HG12 ILE B 214 51.070 13.738 18.851 1.00 0.00 H new ATOM 0 HG13 ILE B 214 50.544 12.115 19.252 1.00 0.00 H new ATOM 0 HG21 ILE B 214 52.845 13.312 16.524 1.00 0.00 H new ATOM 0 HG22 ILE B 214 51.605 13.202 15.252 1.00 0.00 H new ATOM 0 HG23 ILE B 214 51.447 14.413 16.546 1.00 0.00 H new ATOM 0 HD11 ILE B 214 52.857 12.511 20.059 1.00 0.00 H new ATOM 0 HD12 ILE B 214 52.841 11.245 18.808 1.00 0.00 H new ATOM 0 HD13 ILE B 214 53.376 12.893 18.401 1.00 0.00 H new ATOM 842 N VAL B 215 48.849 13.464 14.719 1.00 0.00 N ATOM 843 CA VAL B 215 48.596 13.447 13.283 1.00 0.00 C ATOM 844 C VAL B 215 49.791 14.011 12.520 1.00 0.00 C ATOM 845 O VAL B 215 50.349 15.042 12.896 1.00 0.00 O ATOM 846 CB VAL B 215 47.349 14.272 12.963 1.00 0.00 C ATOM 847 CG1 VAL B 215 46.937 14.033 11.509 1.00 0.00 C ATOM 848 CG2 VAL B 215 46.207 13.849 13.891 1.00 0.00 C ATOM 0 H VAL B 215 48.673 14.361 15.171 1.00 0.00 H new ATOM 0 HA VAL B 215 48.438 12.414 12.974 1.00 0.00 H new ATOM 0 HB VAL B 215 47.566 15.330 13.110 1.00 0.00 H new ATOM 0 HG11 VAL B 215 46.048 14.621 11.281 1.00 0.00 H new ATOM 0 HG12 VAL B 215 47.749 14.332 10.847 1.00 0.00 H new ATOM 0 HG13 VAL B 215 46.720 12.975 11.362 1.00 0.00 H new ATOM 0 HG21 VAL B 215 45.317 14.436 13.664 1.00 0.00 H new ATOM 0 HG22 VAL B 215 45.991 12.791 13.743 1.00 0.00 H new ATOM 0 HG23 VAL B 215 46.499 14.018 14.928 1.00 0.00 H new ATOM 858 N THR B 216 50.177 13.328 11.447 1.00 0.00 N ATOM 859 CA THR B 216 51.307 13.770 10.639 1.00 0.00 C ATOM 860 C THR B 216 50.820 14.490 9.386 1.00 0.00 C ATOM 861 O THR B 216 49.739 14.199 8.871 1.00 0.00 O ATOM 862 CB THR B 216 52.165 12.568 10.238 1.00 0.00 C ATOM 863 OG1 THR B 216 51.558 11.900 9.141 1.00 0.00 O ATOM 864 CG2 THR B 216 52.284 11.606 11.422 1.00 0.00 C ATOM 0 H THR B 216 49.728 12.473 11.119 1.00 0.00 H new ATOM 0 HA THR B 216 51.905 14.461 11.233 1.00 0.00 H new ATOM 0 HB THR B 216 53.159 12.910 9.950 1.00 0.00 H new ATOM 0 HG1 THR B 216 52.239 11.689 8.469 1.00 0.00 H new ATOM 0 HG21 THR B 216 52.895 10.750 11.135 1.00 0.00 H new ATOM 0 HG22 THR B 216 52.750 12.120 12.263 1.00 0.00 H new ATOM 0 HG23 THR B 216 51.291 11.262 11.712 1.00 0.00 H new ATOM 872 N ASP B 217 51.622 15.431 8.899 1.00 0.00 N ATOM 873 CA ASP B 217 51.256 16.192 7.709 1.00 0.00 C ATOM 874 C ASP B 217 51.468 15.355 6.452 1.00 0.00 C ATOM 875 O ASP B 217 50.910 15.655 5.396 1.00 0.00 O ATOM 876 CB ASP B 217 52.098 17.466 7.626 1.00 0.00 C ATOM 877 CG ASP B 217 51.680 18.440 8.722 1.00 0.00 C ATOM 878 OD1 ASP B 217 50.623 18.238 9.296 1.00 0.00 O ATOM 879 OD2 ASP B 217 52.424 19.374 8.972 1.00 0.00 O ATOM 0 H ASP B 217 52.523 15.684 9.306 1.00 0.00 H new ATOM 0 HA ASP B 217 50.201 16.458 7.780 1.00 0.00 H new ATOM 0 HB2 ASP B 217 53.155 17.221 7.730 1.00 0.00 H new ATOM 0 HB3 ASP B 217 51.973 17.931 6.648 1.00 0.00 H new ATOM 884 N GLU B 218 52.276 14.308 6.572 1.00 0.00 N ATOM 885 CA GLU B 218 52.567 13.445 5.434 1.00 0.00 C ATOM 886 C GLU B 218 51.485 12.380 5.277 1.00 0.00 C ATOM 887 O GLU B 218 51.337 11.785 4.211 1.00 0.00 O ATOM 888 CB GLU B 218 53.926 12.769 5.623 1.00 0.00 C ATOM 889 CG GLU B 218 55.031 13.826 5.593 1.00 0.00 C ATOM 890 CD GLU B 218 55.086 14.483 4.217 1.00 0.00 C ATOM 891 OE1 GLU B 218 54.596 13.882 3.276 1.00 0.00 O ATOM 892 OE2 GLU B 218 55.618 15.577 4.126 1.00 0.00 O ATOM 0 H GLU B 218 52.739 14.037 7.440 1.00 0.00 H new ATOM 0 HA GLU B 218 52.590 14.060 4.534 1.00 0.00 H new ATOM 0 HB2 GLU B 218 53.948 12.232 6.571 1.00 0.00 H new ATOM 0 HB3 GLU B 218 54.091 12.033 4.836 1.00 0.00 H new ATOM 0 HG2 GLU B 218 54.846 14.580 6.358 1.00 0.00 H new ATOM 0 HG3 GLU B 218 55.992 13.366 5.825 1.00 0.00 H new ATOM 899 N ASP B 219 50.733 12.147 6.348 1.00 0.00 N ATOM 900 CA ASP B 219 49.673 11.145 6.320 1.00 0.00 C ATOM 901 C ASP B 219 48.382 11.745 5.774 1.00 0.00 C ATOM 902 O ASP B 219 47.543 11.036 5.218 1.00 0.00 O ATOM 903 CB ASP B 219 49.430 10.604 7.731 1.00 0.00 C ATOM 904 CG ASP B 219 50.603 9.732 8.164 1.00 0.00 C ATOM 905 OD1 ASP B 219 51.419 9.407 7.317 1.00 0.00 O ATOM 906 OD2 ASP B 219 50.670 9.401 9.336 1.00 0.00 O ATOM 0 H ASP B 219 50.836 12.633 7.239 1.00 0.00 H new ATOM 0 HA ASP B 219 49.986 10.330 5.667 1.00 0.00 H new ATOM 0 HB2 ASP B 219 49.304 11.431 8.430 1.00 0.00 H new ATOM 0 HB3 ASP B 219 48.507 10.024 7.753 1.00 0.00 H new ATOM 911 N ILE B 220 48.227 13.055 5.938 1.00 0.00 N ATOM 912 CA ILE B 220 47.033 13.739 5.458 1.00 0.00 C ATOM 913 C ILE B 220 47.178 14.103 3.984 1.00 0.00 C ATOM 914 O ILE B 220 46.224 14.003 3.212 1.00 0.00 O ATOM 915 CB ILE B 220 46.792 15.008 6.277 1.00 0.00 C ATOM 916 CG1 ILE B 220 46.423 14.624 7.712 1.00 0.00 C ATOM 917 CG2 ILE B 220 45.648 15.810 5.654 1.00 0.00 C ATOM 918 CD1 ILE B 220 46.426 15.876 8.592 1.00 0.00 C ATOM 0 H ILE B 220 48.908 13.660 6.396 1.00 0.00 H new ATOM 0 HA ILE B 220 46.183 13.066 5.572 1.00 0.00 H new ATOM 0 HB ILE B 220 47.698 15.614 6.283 1.00 0.00 H new ATOM 0 HG12 ILE B 220 45.440 14.154 7.733 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.133 13.893 8.098 1.00 0.00 H new ATOM 0 HG21 ILE B 220 45.477 16.714 6.238 1.00 0.00 H new ATOM 0 HG22 ILE B 220 45.910 16.083 4.632 1.00 0.00 H new ATOM 0 HG23 ILE B 220 44.741 15.205 5.647 1.00 0.00 H new ATOM 0 HD11 ILE B 220 46.163 15.603 9.614 1.00 0.00 H new ATOM 0 HD12 ILE B 220 47.419 16.326 8.580 1.00 0.00 H new ATOM 0 HD13 ILE B 220 45.698 16.592 8.209 1.00 0.00 H new ATOM 930 N ARG B 221 48.378 14.527 3.600 1.00 0.00 N ATOM 931 CA ARG B 221 48.636 14.909 2.216 1.00 0.00 C ATOM 932 C ARG B 221 48.435 13.718 1.284 1.00 0.00 C ATOM 933 O ARG B 221 47.825 13.844 0.223 1.00 0.00 O ATOM 934 CB ARG B 221 50.067 15.432 2.077 1.00 0.00 C ATOM 935 CG ARG B 221 50.300 15.907 0.641 1.00 0.00 C ATOM 936 CD ARG B 221 51.741 16.397 0.493 1.00 0.00 C ATOM 937 NE ARG B 221 51.953 17.593 1.299 1.00 0.00 N ATOM 938 CZ ARG B 221 53.146 18.175 1.365 1.00 0.00 C ATOM 939 NH1 ARG B 221 54.152 17.678 0.700 1.00 0.00 N ATOM 940 NH2 ARG B 221 53.310 19.245 2.094 1.00 0.00 N ATOM 0 H ARG B 221 49.181 14.614 4.222 1.00 0.00 H new ATOM 0 HA ARG B 221 47.933 15.695 1.939 1.00 0.00 H new ATOM 0 HB2 ARG B 221 50.235 16.253 2.774 1.00 0.00 H new ATOM 0 HB3 ARG B 221 50.779 14.647 2.332 1.00 0.00 H new ATOM 0 HG2 ARG B 221 50.108 15.093 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG B 221 49.605 16.710 0.395 1.00 0.00 H new ATOM 0 HD2 ARG B 221 52.433 15.614 0.803 1.00 0.00 H new ATOM 0 HD3 ARG B 221 51.953 16.613 -0.554 1.00 0.00 H new ATOM 0 HE ARG B 221 51.172 17.990 1.821 1.00 0.00 H new ATOM 0 HH11 ARG B 221 54.023 16.843 0.129 1.00 0.00 H new ATOM 0 HH12 ARG B 221 55.068 18.125 0.751 1.00 0.00 H new ATOM 0 HH21 ARG B 221 52.523 19.634 2.613 1.00 0.00 H new ATOM 0 HH22 ARG B 221 54.225 19.692 2.145 1.00 0.00 H new ATOM 954 N LYS B 222 48.953 12.561 1.687 1.00 0.00 N ATOM 955 CA LYS B 222 48.839 11.359 0.871 1.00 0.00 C ATOM 956 C LYS B 222 47.418 10.806 0.925 1.00 0.00 C ATOM 957 O LYS B 222 46.743 10.702 -0.099 1.00 0.00 O ATOM 958 CB LYS B 222 49.821 10.296 1.365 1.00 0.00 C ATOM 959 CG LYS B 222 50.153 9.336 0.221 1.00 0.00 C ATOM 960 CD LYS B 222 51.210 8.331 0.686 1.00 0.00 C ATOM 961 CE LYS B 222 52.586 8.998 0.676 1.00 0.00 C ATOM 962 NZ LYS B 222 53.642 7.958 0.840 1.00 0.00 N ATOM 0 H LYS B 222 49.452 12.432 2.567 1.00 0.00 H new ATOM 0 HA LYS B 222 49.076 11.620 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS B 222 50.732 10.770 1.732 1.00 0.00 H new ATOM 0 HB3 LYS B 222 49.388 9.746 2.201 1.00 0.00 H new ATOM 0 HG2 LYS B 222 49.253 8.811 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS B 222 50.521 9.894 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS B 222 50.973 7.976 1.689 1.00 0.00 H new ATOM 0 HD3 LYS B 222 51.212 7.459 0.031 1.00 0.00 H new ATOM 0 HE2 LYS B 222 52.734 9.538 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS B 222 52.653 9.730 1.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 54.579 8.410 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 53.503 7.462 1.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 53.582 7.276 0.058 1.00 0.00 H new ATOM 976 N GLN B 223 46.971 10.452 2.125 1.00 0.00 N ATOM 977 CA GLN B 223 45.628 9.911 2.300 1.00 0.00 C ATOM 978 C GLN B 223 44.630 10.657 1.418 1.00 0.00 C ATOM 979 O GLN B 223 43.697 10.061 0.879 1.00 0.00 O ATOM 980 CB GLN B 223 45.203 10.028 3.765 1.00 0.00 C ATOM 981 CG GLN B 223 43.804 9.437 3.940 1.00 0.00 C ATOM 982 CD GLN B 223 43.431 9.408 5.418 1.00 0.00 C ATOM 983 OE1 GLN B 223 44.211 9.847 6.264 1.00 0.00 O ATOM 984 NE2 GLN B 223 42.279 8.915 5.783 1.00 0.00 N ATOM 0 H GLN B 223 47.514 10.529 2.985 1.00 0.00 H new ATOM 0 HA GLN B 223 45.640 8.861 2.008 1.00 0.00 H new ATOM 0 HB2 GLN B 223 45.913 9.503 4.404 1.00 0.00 H new ATOM 0 HB3 GLN B 223 45.209 11.073 4.074 1.00 0.00 H new ATOM 0 HG2 GLN B 223 43.078 10.030 3.385 1.00 0.00 H new ATOM 0 HG3 GLN B 223 43.772 8.428 3.529 1.00 0.00 H new ATOM 0 HE21 GLN B 223 41.634 8.552 5.081 1.00 0.00 H new ATOM 0 HE22 GLN B 223 42.023 8.893 6.770 1.00 0.00 H new ATOM 993 N GLU B 224 44.834 11.962 1.275 1.00 0.00 N ATOM 994 CA GLU B 224 43.946 12.780 0.458 1.00 0.00 C ATOM 995 C GLU B 224 44.107 12.435 -1.020 1.00 0.00 C ATOM 996 O GLU B 224 43.123 12.310 -1.749 1.00 0.00 O ATOM 997 CB GLU B 224 44.253 14.263 0.674 1.00 0.00 C ATOM 998 CG GLU B 224 43.252 15.112 -0.112 1.00 0.00 C ATOM 999 CD GLU B 224 43.508 16.593 0.146 1.00 0.00 C ATOM 1000 OE1 GLU B 224 44.220 16.895 1.090 1.00 0.00 O ATOM 1001 OE2 GLU B 224 42.989 17.403 -0.603 1.00 0.00 O ATOM 0 H GLU B 224 45.601 12.473 1.711 1.00 0.00 H new ATOM 0 HA GLU B 224 42.918 12.575 0.758 1.00 0.00 H new ATOM 0 HB2 GLU B 224 44.197 14.506 1.735 1.00 0.00 H new ATOM 0 HB3 GLU B 224 45.269 14.486 0.349 1.00 0.00 H new ATOM 0 HG2 GLU B 224 43.340 14.900 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU B 224 42.234 14.854 0.181 1.00 0.00 H new ATOM 1008 N GLU B 225 45.355 12.283 -1.453 1.00 0.00 N ATOM 1009 CA GLU B 225 45.633 11.958 -2.847 1.00 0.00 C ATOM 1010 C GLU B 225 44.999 10.622 -3.223 1.00 0.00 C ATOM 1011 O GLU B 225 44.486 10.457 -4.329 1.00 0.00 O ATOM 1012 CB GLU B 225 47.144 11.889 -3.076 1.00 0.00 C ATOM 1013 CG GLU B 225 47.740 13.295 -2.973 1.00 0.00 C ATOM 1014 CD GLU B 225 47.203 14.172 -4.097 1.00 0.00 C ATOM 1015 OE1 GLU B 225 46.745 13.622 -5.086 1.00 0.00 O ATOM 1016 OE2 GLU B 225 47.257 15.383 -3.955 1.00 0.00 O ATOM 0 H GLU B 225 46.183 12.379 -0.865 1.00 0.00 H new ATOM 0 HA GLU B 225 45.205 12.740 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.605 11.232 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU B 225 47.355 11.464 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU B 225 47.491 13.735 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU B 225 48.827 13.243 -3.029 1.00 0.00 H new ATOM 1023 N ARG B 226 45.039 9.672 -2.294 1.00 0.00 N ATOM 1024 CA ARG B 226 44.465 8.354 -2.539 1.00 0.00 C ATOM 1025 C ARG B 226 42.968 8.462 -2.807 1.00 0.00 C ATOM 1026 O ARG B 226 42.446 7.837 -3.730 1.00 0.00 O ATOM 1027 CB ARG B 226 44.705 7.447 -1.330 1.00 0.00 C ATOM 1028 CG ARG B 226 44.302 6.013 -1.679 1.00 0.00 C ATOM 1029 CD ARG B 226 45.488 5.291 -2.322 1.00 0.00 C ATOM 1030 NE ARG B 226 46.585 5.174 -1.367 1.00 0.00 N ATOM 1031 CZ ARG B 226 47.771 4.703 -1.739 1.00 0.00 C ATOM 1032 NH1 ARG B 226 47.969 4.335 -2.975 1.00 0.00 N ATOM 1033 NH2 ARG B 226 48.737 4.607 -0.867 1.00 0.00 N ATOM 0 H ARG B 226 45.459 9.789 -1.372 1.00 0.00 H new ATOM 0 HA ARG B 226 44.949 7.925 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG B 226 45.755 7.480 -1.040 1.00 0.00 H new ATOM 0 HB3 ARG B 226 44.127 7.801 -0.476 1.00 0.00 H new ATOM 0 HG2 ARG B 226 43.985 5.484 -0.780 1.00 0.00 H new ATOM 0 HG3 ARG B 226 43.453 6.019 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG B 226 45.181 4.300 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG B 226 45.821 5.838 -3.204 1.00 0.00 H new ATOM 0 HE ARG B 226 46.439 5.458 -0.398 1.00 0.00 H new ATOM 0 HH11 ARG B 226 47.214 4.409 -3.656 1.00 0.00 H new ATOM 0 HH12 ARG B 226 48.879 3.974 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG B 226 48.582 4.893 0.100 1.00 0.00 H new ATOM 0 HH22 ARG B 226 49.647 4.246 -1.152 1.00 0.00 H new ATOM 1047 N VAL B 227 42.282 9.260 -1.994 1.00 0.00 N ATOM 1048 CA VAL B 227 40.844 9.441 -2.151 1.00 0.00 C ATOM 1049 C VAL B 227 40.532 10.115 -3.483 1.00 0.00 C ATOM 1050 O VAL B 227 39.574 9.750 -4.166 1.00 0.00 O ATOM 1051 CB VAL B 227 40.296 10.293 -1.005 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.826 10.622 -1.270 1.00 0.00 C ATOM 1053 CG2 VAL B 227 40.415 9.516 0.308 1.00 0.00 C ATOM 0 H VAL B 227 42.696 9.788 -1.225 1.00 0.00 H new ATOM 0 HA VAL B 227 40.369 8.460 -2.133 1.00 0.00 H new ATOM 0 HB VAL B 227 40.868 11.218 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL B 227 38.436 11.229 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.740 11.174 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL B 227 38.253 9.697 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL B 227 40.025 10.122 1.126 1.00 0.00 H new ATOM 0 HG22 VAL B 227 39.843 8.591 0.237 1.00 0.00 H new ATOM 0 HG23 VAL B 227 41.462 9.281 0.498 1.00 0.00 H new ATOM 1063 N GLN B 228 41.345 11.101 -3.847 1.00 0.00 N ATOM 1064 CA GLN B 228 41.139 11.828 -5.095 1.00 0.00 C ATOM 1065 C GLN B 228 41.151 10.869 -6.282 1.00 0.00 C ATOM 1066 O GLN B 228 40.428 11.067 -7.259 1.00 0.00 O ATOM 1067 CB GLN B 228 42.235 12.879 -5.274 1.00 0.00 C ATOM 1068 CG GLN B 228 42.040 14.002 -4.253 1.00 0.00 C ATOM 1069 CD GLN B 228 43.165 15.023 -4.379 1.00 0.00 C ATOM 1070 OE1 GLN B 228 44.047 14.876 -5.226 1.00 0.00 O ATOM 1071 NE2 GLN B 228 43.188 16.056 -3.584 1.00 0.00 N ATOM 0 H GLN B 228 42.147 11.414 -3.300 1.00 0.00 H new ATOM 0 HA GLN B 228 40.168 12.321 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN B 228 43.216 12.422 -5.144 1.00 0.00 H new ATOM 0 HB3 GLN B 228 42.203 13.284 -6.286 1.00 0.00 H new ATOM 0 HG2 GLN B 228 41.077 14.488 -4.414 1.00 0.00 H new ATOM 0 HG3 GLN B 228 42.024 13.589 -3.244 1.00 0.00 H new ATOM 0 HE21 GLN B 228 42.457 16.176 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN B 228 43.937 16.744 -3.663 1.00 0.00 H new ATOM 1080 N GLN B 229 41.976 9.831 -6.190 1.00 0.00 N ATOM 1081 CA GLN B 229 42.071 8.847 -7.261 1.00 0.00 C ATOM 1082 C GLN B 229 40.749 8.102 -7.425 1.00 0.00 C ATOM 1083 O GLN B 229 40.321 7.819 -8.543 1.00 0.00 O ATOM 1084 CB GLN B 229 43.187 7.847 -6.954 1.00 0.00 C ATOM 1085 CG GLN B 229 44.542 8.553 -7.035 1.00 0.00 C ATOM 1086 CD GLN B 229 45.658 7.589 -6.646 1.00 0.00 C ATOM 1087 OE1 GLN B 229 45.397 6.418 -6.364 1.00 0.00 O ATOM 1088 NE2 GLN B 229 46.891 8.012 -6.611 1.00 0.00 N ATOM 0 H GLN B 229 42.584 9.651 -5.391 1.00 0.00 H new ATOM 0 HA GLN B 229 42.297 9.371 -8.190 1.00 0.00 H new ATOM 0 HB2 GLN B 229 43.045 7.422 -5.960 1.00 0.00 H new ATOM 0 HB3 GLN B 229 43.153 7.019 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.708 8.925 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN B 229 44.550 9.418 -6.372 1.00 0.00 H new ATOM 0 HE21 GLN B 229 47.104 8.982 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN B 229 47.642 7.373 -6.350 1.00 0.00 H new ATOM 1097 N VAL B 230 40.109 7.789 -6.303 1.00 0.00 N ATOM 1098 CA VAL B 230 38.837 7.076 -6.336 1.00 0.00 C ATOM 1099 C VAL B 230 37.774 7.910 -7.042 1.00 0.00 C ATOM 1100 O VAL B 230 37.008 7.396 -7.857 1.00 0.00 O ATOM 1101 CB VAL B 230 38.379 6.761 -4.911 1.00 0.00 C ATOM 1102 CG1 VAL B 230 36.984 6.136 -4.950 1.00 0.00 C ATOM 1103 CG2 VAL B 230 39.359 5.779 -4.267 1.00 0.00 C ATOM 0 H VAL B 230 40.446 8.015 -5.367 1.00 0.00 H new ATOM 0 HA VAL B 230 38.977 6.146 -6.887 1.00 0.00 H new ATOM 0 HB VAL B 230 38.349 7.681 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL B 230 36.657 5.911 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL B 230 36.285 6.835 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL B 230 37.014 5.216 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL B 230 39.034 5.554 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL B 230 39.389 4.859 -4.851 1.00 0.00 H new ATOM 0 HG23 VAL B 230 40.354 6.223 -4.239 1.00 0.00 H new ATOM 1113 N ARG B 231 37.731 9.200 -6.723 1.00 0.00 N ATOM 1114 CA ARG B 231 36.755 10.094 -7.333 1.00 0.00 C ATOM 1115 C ARG B 231 36.913 10.107 -8.851 1.00 0.00 C ATOM 1116 O ARG B 231 35.926 10.108 -9.586 1.00 0.00 O ATOM 1117 CB ARG B 231 36.934 11.513 -6.788 1.00 0.00 C ATOM 1118 CG ARG B 231 35.837 12.419 -7.352 1.00 0.00 C ATOM 1119 CD ARG B 231 36.032 13.844 -6.829 1.00 0.00 C ATOM 1120 NE ARG B 231 35.767 13.897 -5.395 1.00 0.00 N ATOM 1121 CZ ARG B 231 36.182 14.921 -4.657 1.00 0.00 C ATOM 1122 NH1 ARG B 231 36.837 15.903 -5.214 1.00 0.00 N ATOM 1123 NH2 ARG B 231 35.935 14.944 -3.376 1.00 0.00 N ATOM 0 H ARG B 231 38.355 9.646 -6.051 1.00 0.00 H new ATOM 0 HA ARG B 231 35.757 9.733 -7.086 1.00 0.00 H new ATOM 0 HB2 ARG B 231 36.889 11.504 -5.699 1.00 0.00 H new ATOM 0 HB3 ARG B 231 37.916 11.898 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG B 231 35.870 12.413 -8.441 1.00 0.00 H new ATOM 0 HG3 ARG B 231 34.856 12.044 -7.060 1.00 0.00 H new ATOM 0 HD2 ARG B 231 37.050 14.176 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG B 231 35.364 14.526 -7.355 1.00 0.00 H new ATOM 0 HE ARG B 231 35.254 13.135 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG B 231 37.030 15.884 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG B 231 37.156 16.689 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG B 231 35.423 14.176 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG B 231 36.253 15.730 -2.809 1.00 0.00 H new ATOM 1137 N LYS B 232 38.159 10.114 -9.310 1.00 0.00 N ATOM 1138 CA LYS B 232 38.435 10.122 -10.742 1.00 0.00 C ATOM 1139 C LYS B 232 37.715 8.967 -11.432 1.00 0.00 C ATOM 1140 O LYS B 232 37.035 9.161 -12.440 1.00 0.00 O ATOM 1141 CB LYS B 232 39.940 10.007 -10.986 1.00 0.00 C ATOM 1142 CG LYS B 232 40.629 11.302 -10.553 1.00 0.00 C ATOM 1143 CD LYS B 232 42.133 11.191 -10.807 1.00 0.00 C ATOM 1144 CE LYS B 232 42.819 12.494 -10.390 1.00 0.00 C ATOM 1145 NZ LYS B 232 44.285 12.382 -10.631 1.00 0.00 N ATOM 0 H LYS B 232 38.989 10.114 -8.717 1.00 0.00 H new ATOM 0 HA LYS B 232 38.072 11.062 -11.157 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.346 9.163 -10.428 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.134 9.815 -12.041 1.00 0.00 H new ATOM 0 HG2 LYS B 232 40.218 12.147 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS B 232 40.441 11.490 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.547 10.354 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.321 10.990 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS B 232 42.409 13.331 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS B 232 42.627 12.698 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 44.752 13.267 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 44.669 11.594 -10.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 44.458 12.207 -11.641 1.00 0.00 H new ATOM 1159 N LYS B 233 37.871 7.768 -10.882 1.00 0.00 N ATOM 1160 CA LYS B 233 37.230 6.588 -11.453 1.00 0.00 C ATOM 1161 C LYS B 233 35.715 6.674 -11.297 1.00 0.00 C ATOM 1162 O LYS B 233 34.970 5.996 -12.003 1.00 0.00 O ATOM 1163 CB LYS B 233 37.746 5.327 -10.759 1.00 0.00 C ATOM 1164 CG LYS B 233 39.225 5.126 -11.094 1.00 0.00 C ATOM 1165 CD LYS B 233 39.741 3.865 -10.400 1.00 0.00 C ATOM 1166 CE LYS B 233 41.216 3.656 -10.751 1.00 0.00 C ATOM 1167 NZ LYS B 233 41.722 2.437 -10.059 1.00 0.00 N ATOM 0 H LYS B 233 38.431 7.587 -10.049 1.00 0.00 H new ATOM 0 HA LYS B 233 37.473 6.543 -12.515 1.00 0.00 H new ATOM 0 HB2 LYS B 233 37.616 5.414 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS B 233 37.169 4.460 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS B 233 39.355 5.039 -12.173 1.00 0.00 H new ATOM 0 HG3 LYS B 233 39.802 5.993 -10.772 1.00 0.00 H new ATOM 0 HD2 LYS B 233 39.623 3.957 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS B 233 39.156 3.000 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS B 233 41.333 3.550 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS B 233 41.799 4.526 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 42.724 2.294 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 41.624 2.556 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 41.172 1.610 -10.366 1.00 0.00 H new ATOM 1181 N LEU B 234 35.268 7.513 -10.368 1.00 0.00 N ATOM 1182 CA LEU B 234 33.840 7.665 -10.114 1.00 0.00 C ATOM 1183 C LEU B 234 33.199 8.549 -11.179 1.00 0.00 C ATOM 1184 O LEU B 234 32.217 8.162 -11.813 1.00 0.00 O ATOM 1185 CB LEU B 234 33.617 8.283 -8.733 1.00 0.00 C ATOM 1186 CG LEU B 234 32.118 8.451 -8.484 1.00 0.00 C ATOM 1187 CD1 LEU B 234 31.425 7.090 -8.601 1.00 0.00 C ATOM 1188 CD2 LEU B 234 31.895 9.016 -7.079 1.00 0.00 C ATOM 0 H LEU B 234 35.869 8.094 -9.783 1.00 0.00 H new ATOM 0 HA LEU B 234 33.377 6.679 -10.148 1.00 0.00 H new ATOM 0 HB2 LEU B 234 34.055 7.647 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU B 234 34.117 9.249 -8.671 1.00 0.00 H new ATOM 0 HG LEU B 234 31.702 9.136 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU B 234 30.356 7.209 -8.423 1.00 0.00 H new ATOM 0 HD12 LEU B 234 31.584 6.686 -9.601 1.00 0.00 H new ATOM 0 HD13 LEU B 234 31.841 6.405 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU B 234 30.826 9.136 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU B 234 32.311 8.331 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU B 234 32.388 9.984 -6.994 1.00 0.00 H new ATOM 1200 N GLU B 235 33.763 9.737 -11.372 1.00 0.00 N ATOM 1201 CA GLU B 235 33.245 10.663 -12.372 1.00 0.00 C ATOM 1202 C GLU B 235 33.544 10.153 -13.779 1.00 0.00 C ATOM 1203 O GLU B 235 32.749 10.340 -14.700 1.00 0.00 O ATOM 1204 CB GLU B 235 33.877 12.044 -12.184 1.00 0.00 C ATOM 1205 CG GLU B 235 33.442 12.624 -10.837 1.00 0.00 C ATOM 1206 CD GLU B 235 31.933 12.849 -10.829 1.00 0.00 C ATOM 1207 OE1 GLU B 235 31.356 12.898 -11.902 1.00 0.00 O ATOM 1208 OE2 GLU B 235 31.378 12.965 -9.749 1.00 0.00 O ATOM 0 H GLU B 235 34.572 10.079 -10.854 1.00 0.00 H new ATOM 0 HA GLU B 235 32.165 10.738 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU B 235 34.964 11.967 -12.225 1.00 0.00 H new ATOM 0 HB3 GLU B 235 33.573 12.708 -12.993 1.00 0.00 H new ATOM 0 HG2 GLU B 235 33.721 11.944 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU B 235 33.959 13.566 -10.653 1.00 0.00 H new ATOM 1215 N GLU B 236 34.696 9.508 -13.935 1.00 0.00 N ATOM 1216 CA GLU B 236 35.096 8.984 -15.236 1.00 0.00 C ATOM 1217 C GLU B 236 34.092 7.944 -15.725 1.00 0.00 C ATOM 1218 O GLU B 236 33.658 7.983 -16.876 1.00 0.00 O ATOM 1219 CB GLU B 236 36.484 8.349 -15.136 1.00 0.00 C ATOM 1220 CG GLU B 236 36.920 7.858 -16.519 1.00 0.00 C ATOM 1221 CD GLU B 236 37.150 9.045 -17.447 1.00 0.00 C ATOM 1222 OE1 GLU B 236 37.129 10.164 -16.961 1.00 0.00 O ATOM 1223 OE2 GLU B 236 37.343 8.819 -18.630 1.00 0.00 O ATOM 0 H GLU B 236 35.364 9.337 -13.183 1.00 0.00 H new ATOM 0 HA GLU B 236 35.124 9.809 -15.948 1.00 0.00 H new ATOM 0 HB2 GLU B 236 37.201 9.075 -14.753 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.465 7.517 -14.432 1.00 0.00 H new ATOM 0 HG2 GLU B 236 37.834 7.271 -16.434 1.00 0.00 H new ATOM 0 HG3 GLU B 236 36.157 7.201 -16.938 1.00 0.00 H new ATOM 1230 N ALA B 237 33.729 7.019 -14.844 1.00 0.00 N ATOM 1231 CA ALA B 237 32.769 5.979 -15.197 1.00 0.00 C ATOM 1232 C ALA B 237 31.371 6.570 -15.343 1.00 0.00 C ATOM 1233 O ALA B 237 30.500 5.980 -15.983 1.00 0.00 O ATOM 1234 CB ALA B 237 32.755 4.892 -14.120 1.00 0.00 C ATOM 0 H ALA B 237 34.081 6.967 -13.888 1.00 0.00 H new ATOM 0 HA ALA B 237 33.069 5.542 -16.149 1.00 0.00 H new ATOM 0 HB1 ALA B 237 32.035 4.120 -14.392 1.00 0.00 H new ATOM 0 HB2 ALA B 237 33.748 4.450 -14.036 1.00 0.00 H new ATOM 0 HB3 ALA B 237 32.472 5.331 -13.163 1.00 0.00 H new ATOM 1240 N LEU B 238 31.164 7.740 -14.749 1.00 0.00 N ATOM 1241 CA LEU B 238 29.869 8.406 -14.821 1.00 0.00 C ATOM 1242 C LEU B 238 29.706 9.115 -16.161 1.00 0.00 C ATOM 1243 O LEU B 238 28.608 9.180 -16.711 1.00 0.00 O ATOM 1244 CB LEU B 238 29.739 9.422 -13.685 1.00 0.00 C ATOM 1245 CG LEU B 238 28.338 10.035 -13.707 1.00 0.00 C ATOM 1246 CD1 LEU B 238 27.295 8.939 -13.483 1.00 0.00 C ATOM 1247 CD2 LEU B 238 28.224 11.081 -12.593 1.00 0.00 C ATOM 0 H LEU B 238 31.872 8.244 -14.215 1.00 0.00 H new ATOM 0 HA LEU B 238 29.088 7.652 -14.724 1.00 0.00 H new ATOM 0 HB2 LEU B 238 29.920 8.936 -12.726 1.00 0.00 H new ATOM 0 HB3 LEU B 238 30.491 10.203 -13.794 1.00 0.00 H new ATOM 0 HG LEU B 238 28.164 10.508 -14.673 1.00 0.00 H new ATOM 0 HD11 LEU B 238 26.297 9.378 -13.499 1.00 0.00 H new ATOM 0 HD12 LEU B 238 27.376 8.193 -14.273 1.00 0.00 H new ATOM 0 HD13 LEU B 238 27.467 8.465 -12.517 1.00 0.00 H new ATOM 0 HD21 LEU B 238 27.226 11.520 -12.606 1.00 0.00 H new ATOM 0 HD22 LEU B 238 28.398 10.605 -11.628 1.00 0.00 H new ATOM 0 HD23 LEU B 238 28.966 11.863 -12.751 1.00 0.00 H new ATOM 1259 N MET B 239 30.809 9.645 -16.681 1.00 0.00 N ATOM 1260 CA MET B 239 30.777 10.353 -17.955 1.00 0.00 C ATOM 1261 C MET B 239 30.253 9.442 -19.061 1.00 0.00 C ATOM 1262 O MET B 239 29.456 9.862 -19.899 1.00 0.00 O ATOM 1263 CB MET B 239 32.182 10.842 -18.317 1.00 0.00 C ATOM 1264 CG MET B 239 32.531 12.065 -17.469 1.00 0.00 C ATOM 1265 SD MET B 239 34.236 12.568 -17.808 1.00 0.00 S ATOM 1266 CE MET B 239 33.965 13.167 -19.493 1.00 0.00 C ATOM 0 H MET B 239 31.729 9.598 -16.243 1.00 0.00 H new ATOM 0 HA MET B 239 30.109 11.209 -17.857 1.00 0.00 H new ATOM 0 HB2 MET B 239 32.910 10.049 -18.147 1.00 0.00 H new ATOM 0 HB3 MET B 239 32.229 11.095 -19.376 1.00 0.00 H new ATOM 0 HG2 MET B 239 31.848 12.884 -17.694 1.00 0.00 H new ATOM 0 HG3 MET B 239 32.413 11.833 -16.411 1.00 0.00 H new ATOM 0 HE1 MET B 239 34.556 14.068 -19.658 1.00 0.00 H new ATOM 0 HE2 MET B 239 34.268 12.399 -20.205 1.00 0.00 H new ATOM 0 HE3 MET B 239 32.908 13.395 -19.633 1.00 0.00 H new