USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=4 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 Single : A 144 MET CE :methyl -143:sc= -0.37 (180deg=-1.9!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.39) 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 163 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 167 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 SER OG : rot -96:sc= 0.257 USER MOD Single : A 169 GLN : amide:sc= -0.308 K(o=-0.31,f=-0.87) USER MOD Single : B 216 THR OG1 : rot 180:sc= -0.198 USER MOD Single : B 222 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0458) USER MOD Single : B 223 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.9) USER MOD Single : B 228 GLN : amide:sc= -0.006 K(o=-0.006,f=-1.3) USER MOD Single : B 229 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.6!) 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 23.968 -4.330 -15.039 1.00 0.00 N ATOM 36 CA GLU A 139 23.551 -4.123 -13.657 1.00 0.00 C ATOM 37 C GLU A 139 24.729 -4.321 -12.708 1.00 0.00 C ATOM 38 O GLU A 139 24.894 -3.575 -11.744 1.00 0.00 O ATOM 39 CB GLU A 139 22.431 -5.101 -13.296 1.00 0.00 C ATOM 40 CG GLU A 139 21.158 -4.722 -14.054 1.00 0.00 C ATOM 41 CD GLU A 139 20.068 -5.755 -13.790 1.00 0.00 C ATOM 42 OE1 GLU A 139 20.321 -6.672 -13.026 1.00 0.00 O ATOM 43 OE2 GLU A 139 18.995 -5.613 -14.355 1.00 0.00 O ATOM 0 HA GLU A 139 23.185 -3.101 -13.556 1.00 0.00 H new ATOM 0 HB2 GLU A 139 22.728 -6.119 -13.548 1.00 0.00 H new ATOM 0 HB3 GLU A 139 22.247 -5.079 -12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 139 20.819 -3.735 -13.741 1.00 0.00 H new ATOM 0 HG3 GLU A 139 21.365 -4.664 -15.123 1.00 0.00 H new ATOM 50 N GLU A 140 25.546 -5.331 -12.990 1.00 0.00 N ATOM 51 CA GLU A 140 26.709 -5.616 -12.157 1.00 0.00 C ATOM 52 C GLU A 140 27.684 -4.443 -12.181 1.00 0.00 C ATOM 53 O GLU A 140 28.289 -4.105 -11.164 1.00 0.00 O ATOM 54 CB GLU A 140 27.413 -6.879 -12.657 1.00 0.00 C ATOM 55 CG GLU A 140 26.493 -8.086 -12.469 1.00 0.00 C ATOM 56 CD GLU A 140 26.223 -8.309 -10.984 1.00 0.00 C ATOM 57 OE1 GLU A 140 27.179 -8.349 -10.228 1.00 0.00 O ATOM 58 OE2 GLU A 140 25.063 -8.436 -10.626 1.00 0.00 O ATOM 0 H GLU A 140 25.426 -5.961 -13.783 1.00 0.00 H new ATOM 0 HA GLU A 140 26.370 -5.772 -11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 140 27.675 -6.769 -13.709 1.00 0.00 H new ATOM 0 HB3 GLU A 140 28.344 -7.030 -12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 140 25.554 -7.924 -12.998 1.00 0.00 H new ATOM 0 HG3 GLU A 140 26.953 -8.975 -12.901 1.00 0.00 H new ATOM 65 N ARG A 141 27.832 -3.827 -13.350 1.00 0.00 N ATOM 66 CA ARG A 141 28.734 -2.691 -13.495 1.00 0.00 C ATOM 67 C ARG A 141 28.248 -1.511 -12.661 1.00 0.00 C ATOM 68 O ARG A 141 29.043 -0.817 -12.027 1.00 0.00 O ATOM 69 CB ARG A 141 28.820 -2.278 -14.965 1.00 0.00 C ATOM 70 CG ARG A 141 29.570 -3.351 -15.756 1.00 0.00 C ATOM 71 CD ARG A 141 29.577 -2.983 -17.241 1.00 0.00 C ATOM 72 NE ARG A 141 30.340 -1.757 -17.453 1.00 0.00 N ATOM 73 CZ ARG A 141 30.451 -1.218 -18.663 1.00 0.00 C ATOM 74 NH1 ARG A 141 29.870 -1.784 -19.685 1.00 0.00 N ATOM 75 NH2 ARG A 141 31.140 -0.122 -18.828 1.00 0.00 N ATOM 0 H ARG A 141 27.343 -4.093 -14.204 1.00 0.00 H new ATOM 0 HA ARG A 141 29.722 -2.988 -13.142 1.00 0.00 H new ATOM 0 HB2 ARG A 141 27.819 -2.143 -15.375 1.00 0.00 H new ATOM 0 HB3 ARG A 141 29.333 -1.320 -15.055 1.00 0.00 H new ATOM 0 HG2 ARG A 141 30.592 -3.440 -15.388 1.00 0.00 H new ATOM 0 HG3 ARG A 141 29.094 -4.321 -15.614 1.00 0.00 H new ATOM 0 HD2 ARG A 141 30.012 -3.796 -17.822 1.00 0.00 H new ATOM 0 HD3 ARG A 141 28.555 -2.850 -17.595 1.00 0.00 H new ATOM 0 HE ARG A 141 30.796 -1.306 -16.659 1.00 0.00 H new ATOM 0 HH11 ARG A 141 29.331 -2.640 -19.555 1.00 0.00 H new ATOM 0 HH12 ARG A 141 29.955 -1.370 -20.614 1.00 0.00 H new ATOM 0 HH21 ARG A 141 31.593 0.321 -18.029 1.00 0.00 H new ATOM 0 HH22 ARG A 141 31.225 0.292 -19.756 1.00 0.00 H new ATOM 89 N GLU A 142 26.938 -1.289 -12.665 1.00 0.00 N ATOM 90 CA GLU A 142 26.355 -0.196 -11.896 1.00 0.00 C ATOM 91 C GLU A 142 26.579 -0.410 -10.403 1.00 0.00 C ATOM 92 O GLU A 142 26.757 0.546 -9.648 1.00 0.00 O ATOM 93 CB GLU A 142 24.855 -0.099 -12.180 1.00 0.00 C ATOM 94 CG GLU A 142 24.636 0.318 -13.637 1.00 0.00 C ATOM 95 CD GLU A 142 25.216 1.707 -13.874 1.00 0.00 C ATOM 96 OE1 GLU A 142 25.417 2.417 -12.903 1.00 0.00 O ATOM 97 OE2 GLU A 142 25.449 2.042 -15.024 1.00 0.00 O ATOM 0 H GLU A 142 26.264 -1.847 -13.188 1.00 0.00 H new ATOM 0 HA GLU A 142 26.842 0.732 -12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 142 24.375 -1.059 -11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 142 24.394 0.626 -11.510 1.00 0.00 H new ATOM 0 HG2 GLU A 142 25.109 -0.402 -14.305 1.00 0.00 H new ATOM 0 HG3 GLU A 142 23.571 0.315 -13.869 1.00 0.00 H new ATOM 104 N ARG A 143 26.567 -1.671 -9.983 1.00 0.00 N ATOM 105 CA ARG A 143 26.774 -1.999 -8.577 1.00 0.00 C ATOM 106 C ARG A 143 28.122 -1.474 -8.096 1.00 0.00 C ATOM 107 O ARG A 143 28.225 -0.904 -7.011 1.00 0.00 O ATOM 108 CB ARG A 143 26.713 -3.515 -8.381 1.00 0.00 C ATOM 109 CG ARG A 143 26.842 -3.842 -6.892 1.00 0.00 C ATOM 110 CD ARG A 143 26.689 -5.349 -6.684 1.00 0.00 C ATOM 111 NE ARG A 143 27.802 -6.059 -7.303 1.00 0.00 N ATOM 112 CZ ARG A 143 27.782 -7.381 -7.443 1.00 0.00 C ATOM 113 NH1 ARG A 143 26.753 -8.065 -7.023 1.00 0.00 N ATOM 114 NH2 ARG A 143 28.790 -7.994 -8.000 1.00 0.00 N ATOM 0 H ARG A 143 26.417 -2.477 -10.590 1.00 0.00 H new ATOM 0 HA ARG A 143 25.985 -1.525 -7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 143 25.772 -3.905 -8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 143 27.514 -3.997 -8.941 1.00 0.00 H new ATOM 0 HG2 ARG A 143 27.811 -3.509 -6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 143 26.081 -3.307 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 143 26.652 -5.574 -5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 143 25.747 -5.689 -7.114 1.00 0.00 H new ATOM 0 HE ARG A 143 28.610 -5.532 -7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 143 25.965 -7.585 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 143 26.737 -9.079 -7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 143 29.594 -7.459 -8.328 1.00 0.00 H new ATOM 0 HH22 ARG A 143 28.774 -9.008 -8.107 1.00 0.00 H new ATOM 128 N MET A 144 29.153 -1.669 -8.912 1.00 0.00 N ATOM 129 CA MET A 144 30.491 -1.211 -8.557 1.00 0.00 C ATOM 130 C MET A 144 30.491 0.293 -8.301 1.00 0.00 C ATOM 131 O MET A 144 31.140 0.775 -7.372 1.00 0.00 O ATOM 132 CB MET A 144 31.474 -1.538 -9.683 1.00 0.00 C ATOM 133 CG MET A 144 31.872 -3.014 -9.601 1.00 0.00 C ATOM 134 SD MET A 144 32.854 -3.291 -8.105 1.00 0.00 S ATOM 135 CE MET A 144 34.260 -2.248 -8.561 1.00 0.00 C ATOM 0 H MET A 144 29.089 -2.137 -9.816 1.00 0.00 H new ATOM 0 HA MET A 144 30.800 -1.725 -7.647 1.00 0.00 H new ATOM 0 HB2 MET A 144 31.019 -1.326 -10.650 1.00 0.00 H new ATOM 0 HB3 MET A 144 32.359 -0.907 -9.602 1.00 0.00 H new ATOM 0 HG2 MET A 144 30.981 -3.642 -9.586 1.00 0.00 H new ATOM 0 HG3 MET A 144 32.446 -3.297 -10.483 1.00 0.00 H new ATOM 0 HE1 MET A 144 35.184 -2.710 -8.212 1.00 0.00 H new ATOM 0 HE2 MET A 144 34.295 -2.139 -9.645 1.00 0.00 H new ATOM 0 HE3 MET A 144 34.149 -1.266 -8.101 1.00 0.00 H new ATOM 145 N ILE A 145 29.758 1.028 -9.130 1.00 0.00 N ATOM 146 CA ILE A 145 29.681 2.477 -8.984 1.00 0.00 C ATOM 147 C ILE A 145 29.057 2.847 -7.643 1.00 0.00 C ATOM 148 O ILE A 145 29.556 3.722 -6.935 1.00 0.00 O ATOM 149 CB ILE A 145 28.847 3.073 -10.119 1.00 0.00 C ATOM 150 CG1 ILE A 145 29.410 2.607 -11.463 1.00 0.00 C ATOM 151 CG2 ILE A 145 28.904 4.601 -10.048 1.00 0.00 C ATOM 152 CD1 ILE A 145 30.896 2.960 -11.545 1.00 0.00 C ATOM 0 H ILE A 145 29.213 0.648 -9.904 1.00 0.00 H new ATOM 0 HA ILE A 145 30.692 2.882 -9.026 1.00 0.00 H new ATOM 0 HB ILE A 145 27.813 2.742 -10.021 1.00 0.00 H new ATOM 0 HG12 ILE A 145 29.275 1.531 -11.572 1.00 0.00 H new ATOM 0 HG13 ILE A 145 28.867 3.081 -12.281 1.00 0.00 H new ATOM 0 HG21 ILE A 145 28.309 5.025 -10.857 1.00 0.00 H new ATOM 0 HG22 ILE A 145 28.505 4.936 -9.090 1.00 0.00 H new ATOM 0 HG23 ILE A 145 29.938 4.931 -10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 145 31.297 2.628 -12.503 1.00 0.00 H new ATOM 0 HD12 ILE A 145 31.019 4.039 -11.455 1.00 0.00 H new ATOM 0 HD13 ILE A 145 31.433 2.465 -10.736 1.00 0.00 H new ATOM 164 N LYS A 146 27.964 2.174 -7.298 1.00 0.00 N ATOM 165 CA LYS A 146 27.281 2.439 -6.037 1.00 0.00 C ATOM 166 C LYS A 146 28.183 2.086 -4.859 1.00 0.00 C ATOM 167 O LYS A 146 28.204 2.788 -3.847 1.00 0.00 O ATOM 168 CB LYS A 146 25.991 1.621 -5.958 1.00 0.00 C ATOM 169 CG LYS A 146 24.976 2.171 -6.962 1.00 0.00 C ATOM 170 CD LYS A 146 23.678 1.367 -6.869 1.00 0.00 C ATOM 171 CE LYS A 146 22.669 1.905 -7.885 1.00 0.00 C ATOM 172 NZ LYS A 146 21.401 1.129 -7.784 1.00 0.00 N ATOM 0 H LYS A 146 27.535 1.446 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 146 27.039 3.501 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 146 26.199 0.573 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 146 25.581 1.665 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 146 24.780 3.223 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 146 25.380 2.113 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 146 23.877 0.313 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 146 23.267 1.435 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 146 22.477 2.962 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 146 23.076 1.828 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 20.714 1.494 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 21.591 0.126 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.011 1.224 -6.825 1.00 0.00 H new ATOM 186 N GLN A 147 28.929 0.993 -4.996 1.00 0.00 N ATOM 187 CA GLN A 147 29.826 0.555 -3.934 1.00 0.00 C ATOM 188 C GLN A 147 30.888 1.615 -3.661 1.00 0.00 C ATOM 189 O GLN A 147 31.255 1.858 -2.512 1.00 0.00 O ATOM 190 CB GLN A 147 30.504 -0.758 -4.331 1.00 0.00 C ATOM 191 CG GLN A 147 29.480 -1.895 -4.288 1.00 0.00 C ATOM 192 CD GLN A 147 29.035 -2.142 -2.852 1.00 0.00 C ATOM 193 OE1 GLN A 147 29.867 -2.358 -1.971 1.00 0.00 O ATOM 194 NE2 GLN A 147 27.763 -2.123 -2.560 1.00 0.00 N ATOM 0 H GLN A 147 28.930 0.399 -5.825 1.00 0.00 H new ATOM 0 HA GLN A 147 29.239 0.401 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 147 30.927 -0.673 -5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 147 31.330 -0.973 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 147 28.618 -1.643 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 147 29.916 -2.804 -4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 147 27.075 -1.944 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 147 27.457 -2.287 -1.601 1.00 0.00 H new ATOM 203 N LEU A 148 31.375 2.245 -4.725 1.00 0.00 N ATOM 204 CA LEU A 148 32.403 3.269 -4.589 1.00 0.00 C ATOM 205 C LEU A 148 31.867 4.464 -3.807 1.00 0.00 C ATOM 206 O LEU A 148 32.588 5.079 -3.022 1.00 0.00 O ATOM 207 CB LEU A 148 32.869 3.730 -5.972 1.00 0.00 C ATOM 208 CG LEU A 148 33.647 2.602 -6.651 1.00 0.00 C ATOM 209 CD1 LEU A 148 33.943 2.987 -8.101 1.00 0.00 C ATOM 210 CD2 LEU A 148 34.964 2.372 -5.906 1.00 0.00 C ATOM 0 H LEU A 148 31.077 2.066 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 148 33.246 2.841 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 148 32.010 4.012 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 148 33.498 4.615 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 148 33.053 1.688 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 148 34.498 2.183 -8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 148 33.006 3.152 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 148 34.537 3.901 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 148 35.520 1.568 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 148 35.558 3.286 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 148 34.754 2.098 -4.872 1.00 0.00 H new ATOM 222 N LYS A 149 30.596 4.784 -4.028 1.00 0.00 N ATOM 223 CA LYS A 149 29.975 5.915 -3.348 1.00 0.00 C ATOM 224 C LYS A 149 29.926 5.672 -1.844 1.00 0.00 C ATOM 225 O LYS A 149 30.023 6.608 -1.050 1.00 0.00 O ATOM 226 CB LYS A 149 28.558 6.129 -3.881 1.00 0.00 C ATOM 227 CG LYS A 149 28.624 6.635 -5.323 1.00 0.00 C ATOM 228 CD LYS A 149 27.208 6.896 -5.839 1.00 0.00 C ATOM 229 CE LYS A 149 27.274 7.411 -7.278 1.00 0.00 C ATOM 230 NZ LYS A 149 25.894 7.656 -7.782 1.00 0.00 N ATOM 0 H LYS A 149 29.980 4.281 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 149 30.573 6.806 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 149 27.997 5.195 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 149 28.028 6.848 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 149 29.214 7.550 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 149 29.123 5.900 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 149 26.620 5.979 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 149 26.707 7.626 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 149 27.856 8.331 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 149 27.781 6.684 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 25.939 8.006 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 25.352 6.769 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 25.426 8.365 -7.182 1.00 0.00 H new ATOM 244 N GLU A 150 29.774 4.409 -1.458 1.00 0.00 N ATOM 245 CA GLU A 150 29.704 4.056 -0.046 1.00 0.00 C ATOM 246 C GLU A 150 31.036 4.335 0.641 1.00 0.00 C ATOM 247 O GLU A 150 31.090 5.040 1.649 1.00 0.00 O ATOM 248 CB GLU A 150 29.349 2.575 0.104 1.00 0.00 C ATOM 249 CG GLU A 150 27.929 2.334 -0.410 1.00 0.00 C ATOM 250 CD GLU A 150 26.928 3.120 0.431 1.00 0.00 C ATOM 251 OE1 GLU A 150 26.998 3.020 1.645 1.00 0.00 O ATOM 252 OE2 GLU A 150 26.109 3.811 -0.152 1.00 0.00 O ATOM 0 H GLU A 150 29.698 3.619 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 150 28.931 4.664 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 150 30.057 1.962 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 150 29.424 2.277 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 150 27.855 2.637 -1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 150 27.694 1.270 -0.369 1.00 0.00 H new ATOM 259 N GLU A 151 32.109 3.779 0.088 1.00 0.00 N ATOM 260 CA GLU A 151 33.436 3.969 0.660 1.00 0.00 C ATOM 261 C GLU A 151 33.863 5.428 0.543 1.00 0.00 C ATOM 262 O GLU A 151 34.619 5.932 1.373 1.00 0.00 O ATOM 263 CB GLU A 151 34.449 3.079 -0.062 1.00 0.00 C ATOM 264 CG GLU A 151 34.166 1.611 0.268 1.00 0.00 C ATOM 265 CD GLU A 151 35.135 0.711 -0.490 1.00 0.00 C ATOM 266 OE1 GLU A 151 35.977 1.240 -1.196 1.00 0.00 O ATOM 267 OE2 GLU A 151 35.023 -0.497 -0.350 1.00 0.00 O ATOM 0 H GLU A 151 32.086 3.197 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 151 33.400 3.695 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 151 34.387 3.239 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 151 35.462 3.342 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 151 34.266 1.445 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 151 33.139 1.361 0.001 1.00 0.00 H new ATOM 274 N LEU A 152 33.373 6.102 -0.493 1.00 0.00 N ATOM 275 CA LEU A 152 33.721 7.500 -0.716 1.00 0.00 C ATOM 276 C LEU A 152 33.288 8.355 0.471 1.00 0.00 C ATOM 277 O LEU A 152 34.045 9.197 0.950 1.00 0.00 O ATOM 278 CB LEU A 152 33.043 8.010 -1.991 1.00 0.00 C ATOM 279 CG LEU A 152 33.381 9.488 -2.191 1.00 0.00 C ATOM 280 CD1 LEU A 152 34.900 9.661 -2.264 1.00 0.00 C ATOM 281 CD2 LEU A 152 32.750 9.982 -3.495 1.00 0.00 C ATOM 0 H LEU A 152 32.738 5.706 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 152 34.803 7.573 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 152 33.378 7.430 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 152 31.963 7.879 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 152 32.990 10.066 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 152 35.140 10.715 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 152 35.351 9.308 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 152 35.292 9.083 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 152 32.990 11.035 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 152 33.142 9.403 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 152 31.668 9.860 -3.445 1.00 0.00 H new ATOM 293 N ARG A 153 32.065 8.130 0.940 1.00 0.00 N ATOM 294 CA ARG A 153 31.541 8.887 2.071 1.00 0.00 C ATOM 295 C ARG A 153 32.371 8.620 3.322 1.00 0.00 C ATOM 296 O ARG A 153 32.707 9.543 4.064 1.00 0.00 O ATOM 297 CB ARG A 153 30.084 8.498 2.330 1.00 0.00 C ATOM 298 CG ARG A 153 29.522 9.354 3.467 1.00 0.00 C ATOM 299 CD ARG A 153 28.070 8.954 3.738 1.00 0.00 C ATOM 300 NE ARG A 153 27.237 9.268 2.584 1.00 0.00 N ATOM 301 CZ ARG A 153 26.022 8.744 2.451 1.00 0.00 C ATOM 302 NH1 ARG A 153 25.556 7.937 3.363 1.00 0.00 N ATOM 303 NH2 ARG A 153 25.295 9.041 1.408 1.00 0.00 N ATOM 0 H ARG A 153 31.423 7.436 0.558 1.00 0.00 H new ATOM 0 HA ARG A 153 31.595 9.949 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 153 29.492 8.641 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 153 30.019 7.441 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 153 30.121 9.220 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 153 29.576 10.410 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 153 28.014 7.888 3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 153 27.699 9.480 4.618 1.00 0.00 H new ATOM 0 HE ARG A 153 27.592 9.900 1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 153 26.123 7.707 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.624 7.535 3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 153 25.659 9.674 0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 153 24.363 8.640 1.305 1.00 0.00 H new ATOM 317 N LEU A 154 32.700 7.353 3.548 1.00 0.00 N ATOM 318 CA LEU A 154 33.499 6.976 4.710 1.00 0.00 C ATOM 319 C LEU A 154 34.900 7.571 4.608 1.00 0.00 C ATOM 320 O LEU A 154 35.449 8.061 5.595 1.00 0.00 O ATOM 321 CB LEU A 154 33.594 5.452 4.806 1.00 0.00 C ATOM 322 CG LEU A 154 32.218 4.874 5.137 1.00 0.00 C ATOM 323 CD1 LEU A 154 32.267 3.349 5.039 1.00 0.00 C ATOM 324 CD2 LEU A 154 31.823 5.280 6.559 1.00 0.00 C ATOM 0 H LEU A 154 32.429 6.574 2.948 1.00 0.00 H new ATOM 0 HA LEU A 154 33.014 7.365 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 154 33.956 5.040 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 154 34.313 5.170 5.575 1.00 0.00 H new ATOM 0 HG LEU A 154 31.483 5.260 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 154 31.286 2.938 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 154 32.548 3.058 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 154 33.002 2.962 5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 154 30.842 4.868 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 154 32.558 4.894 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 154 31.787 6.367 6.630 1.00 0.00 H new ATOM 336 N GLU A 155 35.470 7.526 3.409 1.00 0.00 N ATOM 337 CA GLU A 155 36.809 8.060 3.191 1.00 0.00 C ATOM 338 C GLU A 155 36.831 9.565 3.437 1.00 0.00 C ATOM 339 O GLU A 155 37.780 10.096 4.013 1.00 0.00 O ATOM 340 CB GLU A 155 37.261 7.768 1.758 1.00 0.00 C ATOM 341 CG GLU A 155 37.640 6.292 1.632 1.00 0.00 C ATOM 342 CD GLU A 155 38.012 5.970 0.189 1.00 0.00 C ATOM 343 OE1 GLU A 155 38.007 6.883 -0.620 1.00 0.00 O ATOM 344 OE2 GLU A 155 38.294 4.816 -0.086 1.00 0.00 O ATOM 0 H GLU A 155 35.030 7.129 2.579 1.00 0.00 H new ATOM 0 HA GLU A 155 37.491 7.578 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 155 36.462 8.010 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 155 38.113 8.396 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 155 38.478 6.066 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 155 36.806 5.666 1.950 1.00 0.00 H new ATOM 351 N GLU A 156 35.776 10.246 2.998 1.00 0.00 N ATOM 352 CA GLU A 156 35.682 11.688 3.181 1.00 0.00 C ATOM 353 C GLU A 156 35.408 12.024 4.643 1.00 0.00 C ATOM 354 O GLU A 156 36.008 12.942 5.203 1.00 0.00 O ATOM 355 CB GLU A 156 34.561 12.254 2.307 1.00 0.00 C ATOM 356 CG GLU A 156 34.559 13.781 2.402 1.00 0.00 C ATOM 357 CD GLU A 156 33.469 14.358 1.506 1.00 0.00 C ATOM 358 OE1 GLU A 156 32.974 13.628 0.663 1.00 0.00 O ATOM 359 OE2 GLU A 156 33.144 15.522 1.676 1.00 0.00 O ATOM 0 H GLU A 156 34.981 9.825 2.517 1.00 0.00 H new ATOM 0 HA GLU A 156 36.632 12.136 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 156 34.701 11.944 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 156 33.598 11.858 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 156 34.393 14.089 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 156 35.531 14.173 2.104 1.00 0.00 H new ATOM 366 N ALA A 157 34.498 11.274 5.257 1.00 0.00 N ATOM 367 CA ALA A 157 34.157 11.497 6.657 1.00 0.00 C ATOM 368 C ALA A 157 35.418 11.547 7.513 1.00 0.00 C ATOM 369 O ALA A 157 35.608 12.472 8.303 1.00 0.00 O ATOM 370 CB ALA A 157 33.241 10.378 7.156 1.00 0.00 C ATOM 0 H ALA A 157 33.987 10.512 4.811 1.00 0.00 H new ATOM 0 HA ALA A 157 33.639 12.452 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.991 10.552 8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 157 32.327 10.364 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.751 9.420 7.059 1.00 0.00 H new ATOM 376 N LYS A 158 36.275 10.545 7.351 1.00 0.00 N ATOM 377 CA LYS A 158 37.514 10.482 8.118 1.00 0.00 C ATOM 378 C LYS A 158 38.372 11.715 7.850 1.00 0.00 C ATOM 379 O LYS A 158 38.954 12.290 8.770 1.00 0.00 O ATOM 380 CB LYS A 158 38.297 9.222 7.744 1.00 0.00 C ATOM 381 CG LYS A 158 37.467 7.985 8.086 1.00 0.00 C ATOM 382 CD LYS A 158 37.574 7.694 9.584 1.00 0.00 C ATOM 383 CE LYS A 158 36.860 6.379 9.902 1.00 0.00 C ATOM 384 NZ LYS A 158 36.965 6.096 11.361 1.00 0.00 N ATOM 0 H LYS A 158 36.137 9.771 6.701 1.00 0.00 H new ATOM 0 HA LYS A 158 37.262 10.451 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 158 38.534 9.231 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 158 39.245 9.197 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 158 36.425 8.146 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 158 37.820 7.128 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 158 38.621 7.632 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 158 37.130 8.509 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 158 35.812 6.441 9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 158 37.304 5.564 9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 36.480 5.202 11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 37.967 6.019 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 36.522 6.869 11.897 1.00 0.00 H new ATOM 398 N LEU A 159 38.443 12.117 6.585 1.00 0.00 N ATOM 399 CA LEU A 159 39.240 13.278 6.207 1.00 0.00 C ATOM 400 C LEU A 159 38.781 14.514 6.974 1.00 0.00 C ATOM 401 O LEU A 159 39.597 15.254 7.523 1.00 0.00 O ATOM 402 CB LEU A 159 39.116 13.531 4.703 1.00 0.00 C ATOM 403 CG LEU A 159 39.936 12.491 3.939 1.00 0.00 C ATOM 404 CD1 LEU A 159 39.637 12.600 2.444 1.00 0.00 C ATOM 405 CD2 LEU A 159 41.427 12.743 4.180 1.00 0.00 C ATOM 0 H LEU A 159 37.962 11.660 5.810 1.00 0.00 H new ATOM 0 HA LEU A 159 40.282 13.077 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 159 38.070 13.478 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 159 39.468 14.534 4.463 1.00 0.00 H new ATOM 0 HG LEU A 159 39.673 11.493 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 159 40.222 11.858 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 159 38.576 12.422 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 159 39.900 13.598 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 159 42.014 12.003 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 159 41.688 13.742 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 159 41.642 12.664 5.246 1.00 0.00 H new ATOM 417 N VAL A 160 37.470 14.730 7.006 1.00 0.00 N ATOM 418 CA VAL A 160 36.912 15.866 7.728 1.00 0.00 C ATOM 419 C VAL A 160 37.264 15.783 9.210 1.00 0.00 C ATOM 420 O VAL A 160 37.614 16.786 9.833 1.00 0.00 O ATOM 421 CB VAL A 160 35.390 15.893 7.564 1.00 0.00 C ATOM 422 CG1 VAL A 160 34.783 16.847 8.594 1.00 0.00 C ATOM 423 CG2 VAL A 160 35.040 16.375 6.155 1.00 0.00 C ATOM 0 H VAL A 160 36.779 14.138 6.544 1.00 0.00 H new ATOM 0 HA VAL A 160 37.338 16.780 7.315 1.00 0.00 H new ATOM 0 HB VAL A 160 34.989 14.891 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 160 33.699 16.867 8.478 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.034 16.506 9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 160 35.182 17.850 8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 160 33.957 16.395 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 160 35.440 17.377 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 160 35.473 15.696 5.420 1.00 0.00 H new ATOM 433 N LEU A 161 37.171 14.580 9.769 1.00 0.00 N ATOM 434 CA LEU A 161 37.481 14.378 11.178 1.00 0.00 C ATOM 435 C LEU A 161 38.932 14.750 11.464 1.00 0.00 C ATOM 436 O LEU A 161 39.229 15.415 12.456 1.00 0.00 O ATOM 437 CB LEU A 161 37.242 12.916 11.561 1.00 0.00 C ATOM 438 CG LEU A 161 37.602 12.707 13.033 1.00 0.00 C ATOM 439 CD1 LEU A 161 36.758 13.642 13.903 1.00 0.00 C ATOM 440 CD2 LEU A 161 37.320 11.255 13.425 1.00 0.00 C ATOM 0 H LEU A 161 36.886 13.737 9.271 1.00 0.00 H new ATOM 0 HA LEU A 161 36.829 15.019 11.771 1.00 0.00 H new ATOM 0 HB2 LEU A 161 36.199 12.650 11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 161 37.845 12.261 10.932 1.00 0.00 H new ATOM 0 HG LEU A 161 38.659 12.926 13.183 1.00 0.00 H new ATOM 0 HD11 LEU A 161 37.014 13.493 14.952 1.00 0.00 H new ATOM 0 HD12 LEU A 161 36.957 14.677 13.624 1.00 0.00 H new ATOM 0 HD13 LEU A 161 35.701 13.423 13.753 1.00 0.00 H new ATOM 0 HD21 LEU A 161 37.576 11.105 14.474 1.00 0.00 H new ATOM 0 HD22 LEU A 161 36.263 11.036 13.275 1.00 0.00 H new ATOM 0 HD23 LEU A 161 37.920 10.588 12.806 1.00 0.00 H new ATOM 452 N LEU A 162 39.832 14.317 10.587 1.00 0.00 N ATOM 453 CA LEU A 162 41.250 14.612 10.753 1.00 0.00 C ATOM 454 C LEU A 162 41.487 16.118 10.728 1.00 0.00 C ATOM 455 O LEU A 162 42.306 16.639 11.486 1.00 0.00 O ATOM 456 CB LEU A 162 42.056 13.948 9.635 1.00 0.00 C ATOM 457 CG LEU A 162 42.484 12.547 10.076 1.00 0.00 C ATOM 458 CD1 LEU A 162 41.265 11.623 10.088 1.00 0.00 C ATOM 459 CD2 LEU A 162 43.526 12.001 9.097 1.00 0.00 C ATOM 0 H LEU A 162 39.607 13.764 9.760 1.00 0.00 H new ATOM 0 HA LEU A 162 41.575 14.219 11.716 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.456 13.887 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 162 42.933 14.550 9.398 1.00 0.00 H new ATOM 0 HG LEU A 162 42.914 12.596 11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 162 41.569 10.624 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 162 40.521 12.011 10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 162 40.836 11.574 9.087 1.00 0.00 H new ATOM 0 HD21 LEU A 162 43.832 11.003 9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 162 43.095 11.951 8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 162 44.395 12.659 9.085 1.00 0.00 H new ATOM 471 N LYS A 163 40.765 16.812 9.854 1.00 0.00 N ATOM 472 CA LYS A 163 40.901 18.259 9.743 1.00 0.00 C ATOM 473 C LYS A 163 40.520 18.932 11.056 1.00 0.00 C ATOM 474 O LYS A 163 41.247 19.790 11.559 1.00 0.00 O ATOM 475 CB LYS A 163 40.004 18.782 8.619 1.00 0.00 C ATOM 476 CG LYS A 163 40.222 20.287 8.451 1.00 0.00 C ATOM 477 CD LYS A 163 39.300 20.817 7.352 1.00 0.00 C ATOM 478 CE LYS A 163 39.519 22.322 7.182 1.00 0.00 C ATOM 479 NZ LYS A 163 40.682 22.555 6.280 1.00 0.00 N ATOM 0 H LYS A 163 40.084 16.399 9.217 1.00 0.00 H new ATOM 0 HA LYS A 163 41.941 18.493 9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 163 40.232 18.265 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 163 38.958 18.579 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 163 40.019 20.802 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 163 41.262 20.488 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 163 39.502 20.301 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 163 38.260 20.617 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 163 38.624 22.786 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 163 39.698 22.786 8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 40.832 23.578 6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 41.534 22.125 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 40.493 22.125 5.352 1.00 0.00 H new ATOM 493 N LYS A 164 39.377 18.539 11.608 1.00 0.00 N ATOM 494 CA LYS A 164 38.912 19.109 12.867 1.00 0.00 C ATOM 495 C LYS A 164 39.883 18.778 13.995 1.00 0.00 C ATOM 496 O LYS A 164 40.123 19.598 14.882 1.00 0.00 O ATOM 497 CB LYS A 164 37.525 18.560 13.207 1.00 0.00 C ATOM 498 CG LYS A 164 36.794 19.547 14.121 1.00 0.00 C ATOM 499 CD LYS A 164 36.073 20.593 13.269 1.00 0.00 C ATOM 500 CE LYS A 164 34.789 19.989 12.697 1.00 0.00 C ATOM 501 NZ LYS A 164 33.836 21.082 12.351 1.00 0.00 N ATOM 0 H LYS A 164 38.759 17.833 11.207 1.00 0.00 H new ATOM 0 HA LYS A 164 38.857 20.192 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 164 36.952 18.401 12.294 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.616 17.592 13.699 1.00 0.00 H new ATOM 0 HG2 LYS A 164 36.077 19.016 14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 164 37.504 20.034 14.790 1.00 0.00 H new ATOM 0 HD2 LYS A 164 35.838 21.470 13.873 1.00 0.00 H new ATOM 0 HD3 LYS A 164 36.722 20.928 12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 164 35.017 19.397 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 164 34.337 19.314 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 32.963 20.671 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 33.610 21.629 13.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 34.269 21.709 11.643 1.00 0.00 H new ATOM 515 N LEU A 165 40.441 17.572 13.954 1.00 0.00 N ATOM 516 CA LEU A 165 41.386 17.143 14.978 1.00 0.00 C ATOM 517 C LEU A 165 42.610 18.053 14.991 1.00 0.00 C ATOM 518 O LEU A 165 43.114 18.417 16.053 1.00 0.00 O ATOM 519 CB LEU A 165 41.823 15.701 14.714 1.00 0.00 C ATOM 520 CG LEU A 165 40.711 14.743 15.143 1.00 0.00 C ATOM 521 CD1 LEU A 165 41.078 13.316 14.731 1.00 0.00 C ATOM 522 CD2 LEU A 165 40.544 14.806 16.662 1.00 0.00 C ATOM 0 H LEU A 165 40.257 16.879 13.228 1.00 0.00 H new ATOM 0 HA LEU A 165 40.893 17.201 15.948 1.00 0.00 H new ATOM 0 HB2 LEU A 165 42.046 15.566 13.656 1.00 0.00 H new ATOM 0 HB3 LEU A 165 42.739 15.481 15.263 1.00 0.00 H new ATOM 0 HG LEU A 165 39.777 15.031 14.660 1.00 0.00 H new ATOM 0 HD11 LEU A 165 40.285 12.634 15.037 1.00 0.00 H new ATOM 0 HD12 LEU A 165 41.199 13.270 13.649 1.00 0.00 H new ATOM 0 HD13 LEU A 165 42.012 13.027 15.213 1.00 0.00 H new ATOM 0 HD21 LEU A 165 39.752 14.124 16.970 1.00 0.00 H new ATOM 0 HD22 LEU A 165 41.479 14.517 17.143 1.00 0.00 H new ATOM 0 HD23 LEU A 165 40.283 15.822 16.957 1.00 0.00 H new ATOM 534 N ARG A 166 43.080 18.418 13.803 1.00 0.00 N ATOM 535 CA ARG A 166 44.237 19.299 13.687 1.00 0.00 C ATOM 536 C ARG A 166 43.933 20.664 14.296 1.00 0.00 C ATOM 537 O ARG A 166 44.792 21.277 14.929 1.00 0.00 O ATOM 538 CB ARG A 166 44.619 19.467 12.216 1.00 0.00 C ATOM 539 CG ARG A 166 45.277 18.183 11.707 1.00 0.00 C ATOM 540 CD ARG A 166 45.671 18.358 10.240 1.00 0.00 C ATOM 541 NE ARG A 166 44.483 18.370 9.395 1.00 0.00 N ATOM 542 CZ ARG A 166 44.566 18.643 8.097 1.00 0.00 C ATOM 543 NH1 ARG A 166 45.726 18.908 7.559 1.00 0.00 N ATOM 544 NH2 ARG A 166 43.489 18.648 7.361 1.00 0.00 N ATOM 0 H ARG A 166 42.681 18.120 12.913 1.00 0.00 H new ATOM 0 HA ARG A 166 45.069 18.850 14.229 1.00 0.00 H new ATOM 0 HB2 ARG A 166 43.733 19.693 11.623 1.00 0.00 H new ATOM 0 HB3 ARG A 166 45.303 20.308 12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 166 46.158 17.951 12.306 1.00 0.00 H new ATOM 0 HG3 ARG A 166 44.590 17.343 11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 166 46.225 19.288 10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 166 46.334 17.548 9.935 1.00 0.00 H new ATOM 0 HE ARG A 166 43.573 18.165 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 166 46.568 18.905 8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 166 45.790 19.118 6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 166 42.583 18.442 7.782 1.00 0.00 H new ATOM 0 HH22 ARG A 166 43.553 18.858 6.365 1.00 0.00 H new ATOM 558 N GLN A 167 42.705 21.133 14.100 1.00 0.00 N ATOM 559 CA GLN A 167 42.300 22.429 14.633 1.00 0.00 C ATOM 560 C GLN A 167 42.417 22.443 16.154 1.00 0.00 C ATOM 561 O GLN A 167 42.586 23.499 16.763 1.00 0.00 O ATOM 562 CB GLN A 167 40.856 22.732 14.227 1.00 0.00 C ATOM 563 CG GLN A 167 40.445 24.097 14.781 1.00 0.00 C ATOM 564 CD GLN A 167 39.023 24.431 14.344 1.00 0.00 C ATOM 565 OE1 GLN A 167 38.078 23.736 14.718 1.00 0.00 O ATOM 566 NE2 GLN A 167 38.812 25.461 13.571 1.00 0.00 N ATOM 0 H GLN A 167 41.978 20.640 13.581 1.00 0.00 H new ATOM 0 HA GLN A 167 42.961 23.193 14.222 1.00 0.00 H new ATOM 0 HB2 GLN A 167 40.764 22.726 13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 167 40.190 21.958 14.608 1.00 0.00 H new ATOM 0 HG2 GLN A 167 40.508 24.091 15.869 1.00 0.00 H new ATOM 0 HG3 GLN A 167 41.133 24.865 14.426 1.00 0.00 H new ATOM 0 HE21 GLN A 167 39.596 26.036 13.262 1.00 0.00 H new ATOM 0 HE22 GLN A 167 37.863 25.691 13.276 1.00 0.00 H new ATOM 575 N SER A 168 42.327 21.265 16.760 1.00 0.00 N ATOM 576 CA SER A 168 42.422 21.154 18.211 1.00 0.00 C ATOM 577 C SER A 168 43.855 21.399 18.672 1.00 0.00 C ATOM 578 O SER A 168 44.113 22.291 19.481 1.00 0.00 O ATOM 579 CB SER A 168 41.970 19.765 18.661 1.00 0.00 C ATOM 580 OG SER A 168 42.983 18.817 18.347 1.00 0.00 O ATOM 0 H SER A 168 42.189 20.379 16.274 1.00 0.00 H new ATOM 0 HA SER A 168 41.773 21.907 18.658 1.00 0.00 H new ATOM 0 HB2 SER A 168 41.774 19.763 19.733 1.00 0.00 H new ATOM 0 HB3 SER A 168 41.037 19.495 18.166 1.00 0.00 H new ATOM 0 HG SER A 168 42.776 18.389 17.490 1.00 0.00 H new ATOM 586 N GLN A 169 44.783 20.602 18.153 1.00 0.00 N ATOM 587 CA GLN A 169 46.188 20.742 18.519 1.00 0.00 C ATOM 588 C GLN A 169 46.627 22.197 18.403 1.00 0.00 C ATOM 589 O GLN A 169 47.660 22.589 18.947 1.00 0.00 O ATOM 590 CB GLN A 169 47.054 19.870 17.607 1.00 0.00 C ATOM 591 CG GLN A 169 46.699 18.398 17.818 1.00 0.00 C ATOM 592 CD GLN A 169 47.028 17.982 19.248 1.00 0.00 C ATOM 593 OE1 GLN A 169 48.067 18.368 19.784 1.00 0.00 O ATOM 594 NE2 GLN A 169 46.201 17.212 19.901 1.00 0.00 N ATOM 0 H GLN A 169 44.590 19.858 17.483 1.00 0.00 H new ATOM 0 HA GLN A 169 46.310 20.419 19.553 1.00 0.00 H new ATOM 0 HB2 GLN A 169 46.896 20.147 16.565 1.00 0.00 H new ATOM 0 HB3 GLN A 169 48.109 20.035 17.824 1.00 0.00 H new ATOM 0 HG2 GLN A 169 45.639 18.239 17.619 1.00 0.00 H new ATOM 0 HG3 GLN A 169 47.252 17.777 17.113 1.00 0.00 H new ATOM 0 HE21 GLN A 169 45.341 16.893 19.455 1.00 0.00 H new ATOM 0 HE22 GLN A 169 46.415 16.929 20.857 1.00 0.00 H new ATOM 823 N ILE B 214 48.959 11.016 17.507 1.00 0.00 N ATOM 824 CA ILE B 214 49.566 12.096 16.737 1.00 0.00 C ATOM 825 C ILE B 214 49.343 11.880 15.244 1.00 0.00 C ATOM 826 O ILE B 214 49.458 10.761 14.745 1.00 0.00 O ATOM 827 CB ILE B 214 51.066 12.164 17.027 1.00 0.00 C ATOM 828 CG1 ILE B 214 51.284 12.501 18.504 1.00 0.00 C ATOM 829 CG2 ILE B 214 51.706 13.248 16.158 1.00 0.00 C ATOM 830 CD1 ILE B 214 52.765 12.343 18.852 1.00 0.00 C ATOM 0 HA ILE B 214 49.097 13.035 17.030 1.00 0.00 H new ATOM 0 HB ILE B 214 51.523 11.201 16.801 1.00 0.00 H new ATOM 0 HG12 ILE B 214 50.959 13.522 18.707 1.00 0.00 H new ATOM 0 HG13 ILE B 214 50.681 11.844 19.130 1.00 0.00 H new ATOM 0 HG21 ILE B 214 52.775 13.296 16.365 1.00 0.00 H new ATOM 0 HG22 ILE B 214 51.550 13.010 15.106 1.00 0.00 H new ATOM 0 HG23 ILE B 214 51.249 14.212 16.383 1.00 0.00 H new ATOM 0 HD11 ILE B 214 52.919 12.583 19.904 1.00 0.00 H new ATOM 0 HD12 ILE B 214 53.075 11.315 18.665 1.00 0.00 H new ATOM 0 HD13 ILE B 214 53.358 13.018 18.235 1.00 0.00 H new ATOM 842 N VAL B 215 49.024 12.959 14.537 1.00 0.00 N ATOM 843 CA VAL B 215 48.785 12.875 13.101 1.00 0.00 C ATOM 844 C VAL B 215 49.891 13.588 12.331 1.00 0.00 C ATOM 845 O VAL B 215 50.359 14.652 12.738 1.00 0.00 O ATOM 846 CB VAL B 215 47.435 13.507 12.759 1.00 0.00 C ATOM 847 CG1 VAL B 215 47.323 13.687 11.244 1.00 0.00 C ATOM 848 CG2 VAL B 215 46.307 12.595 13.248 1.00 0.00 C ATOM 0 H VAL B 215 48.926 13.895 14.931 1.00 0.00 H new ATOM 0 HA VAL B 215 48.778 11.823 12.814 1.00 0.00 H new ATOM 0 HB VAL B 215 47.356 14.479 13.247 1.00 0.00 H new ATOM 0 HG11 VAL B 215 46.361 14.137 11.001 1.00 0.00 H new ATOM 0 HG12 VAL B 215 48.126 14.336 10.894 1.00 0.00 H new ATOM 0 HG13 VAL B 215 47.403 12.716 10.755 1.00 0.00 H new ATOM 0 HG21 VAL B 215 45.344 13.045 13.005 1.00 0.00 H new ATOM 0 HG22 VAL B 215 46.387 11.623 12.760 1.00 0.00 H new ATOM 0 HG23 VAL B 215 46.385 12.467 14.328 1.00 0.00 H new ATOM 858 N THR B 216 50.305 12.996 11.214 1.00 0.00 N ATOM 859 CA THR B 216 51.360 13.581 10.396 1.00 0.00 C ATOM 860 C THR B 216 50.824 13.953 9.017 1.00 0.00 C ATOM 861 O THR B 216 49.800 13.429 8.577 1.00 0.00 O ATOM 862 CB THR B 216 52.516 12.590 10.246 1.00 0.00 C ATOM 863 OG1 THR B 216 52.063 11.440 9.543 1.00 0.00 O ATOM 864 CG2 THR B 216 53.021 12.178 11.629 1.00 0.00 C ATOM 0 H THR B 216 49.928 12.118 10.857 1.00 0.00 H new ATOM 0 HA THR B 216 51.718 14.484 10.890 1.00 0.00 H new ATOM 0 HB THR B 216 53.328 13.060 9.691 1.00 0.00 H new ATOM 0 HG1 THR B 216 52.803 10.805 9.444 1.00 0.00 H new ATOM 0 HG21 THR B 216 53.844 11.472 11.520 1.00 0.00 H new ATOM 0 HG22 THR B 216 53.368 13.060 12.167 1.00 0.00 H new ATOM 0 HG23 THR B 216 52.211 11.708 12.187 1.00 0.00 H new ATOM 872 N ASP B 217 51.521 14.859 8.340 1.00 0.00 N ATOM 873 CA ASP B 217 51.100 15.298 7.015 1.00 0.00 C ATOM 874 C ASP B 217 51.183 14.146 6.018 1.00 0.00 C ATOM 875 O ASP B 217 50.170 13.717 5.465 1.00 0.00 O ATOM 876 CB ASP B 217 51.987 16.450 6.540 1.00 0.00 C ATOM 877 CG ASP B 217 53.456 16.049 6.625 1.00 0.00 C ATOM 878 OD1 ASP B 217 53.749 15.104 7.340 1.00 0.00 O ATOM 879 OD2 ASP B 217 54.263 16.690 5.976 1.00 0.00 O ATOM 0 H ASP B 217 52.374 15.301 8.684 1.00 0.00 H new ATOM 0 HA ASP B 217 50.066 15.637 7.077 1.00 0.00 H new ATOM 0 HB2 ASP B 217 51.733 16.716 5.514 1.00 0.00 H new ATOM 0 HB3 ASP B 217 51.807 17.334 7.152 1.00 0.00 H new ATOM 884 N GLU B 218 52.395 13.650 5.793 1.00 0.00 N ATOM 885 CA GLU B 218 52.596 12.543 4.866 1.00 0.00 C ATOM 886 C GLU B 218 51.453 11.538 4.972 1.00 0.00 C ATOM 887 O GLU B 218 51.188 10.783 4.037 1.00 0.00 O ATOM 888 CB GLU B 218 53.922 11.843 5.169 1.00 0.00 C ATOM 889 CG GLU B 218 55.083 12.782 4.839 1.00 0.00 C ATOM 890 CD GLU B 218 56.411 12.108 5.167 1.00 0.00 C ATOM 891 OE1 GLU B 218 56.380 10.968 5.600 1.00 0.00 O ATOM 892 OE2 GLU B 218 57.437 12.740 4.980 1.00 0.00 O ATOM 0 H GLU B 218 53.247 13.994 6.236 1.00 0.00 H new ATOM 0 HA GLU B 218 52.619 12.943 3.852 1.00 0.00 H new ATOM 0 HB2 GLU B 218 53.961 11.555 6.219 1.00 0.00 H new ATOM 0 HB3 GLU B 218 54.004 10.927 4.584 1.00 0.00 H new ATOM 0 HG2 GLU B 218 55.054 13.052 3.783 1.00 0.00 H new ATOM 0 HG3 GLU B 218 54.986 13.707 5.407 1.00 0.00 H new ATOM 899 N ASP B 219 50.779 11.535 6.118 1.00 0.00 N ATOM 900 CA ASP B 219 49.673 10.612 6.341 1.00 0.00 C ATOM 901 C ASP B 219 48.373 11.189 5.785 1.00 0.00 C ATOM 902 O ASP B 219 47.568 10.471 5.192 1.00 0.00 O ATOM 903 CB ASP B 219 49.513 10.338 7.837 1.00 0.00 C ATOM 904 CG ASP B 219 48.557 9.171 8.053 1.00 0.00 C ATOM 905 OD1 ASP B 219 48.868 8.083 7.597 1.00 0.00 O ATOM 906 OD2 ASP B 219 47.526 9.381 8.673 1.00 0.00 O ATOM 0 H ASP B 219 50.978 12.157 6.901 1.00 0.00 H new ATOM 0 HA ASP B 219 49.894 9.679 5.824 1.00 0.00 H new ATOM 0 HB2 ASP B 219 50.483 10.111 8.279 1.00 0.00 H new ATOM 0 HB3 ASP B 219 49.134 11.228 8.340 1.00 0.00 H new ATOM 911 N ILE B 220 48.177 12.488 5.983 1.00 0.00 N ATOM 912 CA ILE B 220 46.965 13.147 5.509 1.00 0.00 C ATOM 913 C ILE B 220 47.048 13.412 4.010 1.00 0.00 C ATOM 914 O ILE B 220 46.081 13.205 3.278 1.00 0.00 O ATOM 915 CB ILE B 220 46.766 14.469 6.252 1.00 0.00 C ATOM 916 CG1 ILE B 220 46.431 14.184 7.718 1.00 0.00 C ATOM 917 CG2 ILE B 220 45.616 15.248 5.611 1.00 0.00 C ATOM 918 CD1 ILE B 220 46.442 15.494 8.509 1.00 0.00 C ATOM 0 H ILE B 220 48.835 13.101 6.464 1.00 0.00 H new ATOM 0 HA ILE B 220 46.118 12.489 5.703 1.00 0.00 H new ATOM 0 HB ILE B 220 47.681 15.058 6.194 1.00 0.00 H new ATOM 0 HG12 ILE B 220 45.452 13.710 7.793 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.156 13.487 8.139 1.00 0.00 H new ATOM 0 HG21 ILE B 220 45.475 16.190 6.141 1.00 0.00 H new ATOM 0 HG22 ILE B 220 45.852 15.451 4.566 1.00 0.00 H new ATOM 0 HG23 ILE B 220 44.701 14.659 5.668 1.00 0.00 H new ATOM 0 HD11 ILE B 220 46.203 15.291 9.553 1.00 0.00 H new ATOM 0 HD12 ILE B 220 47.430 15.950 8.445 1.00 0.00 H new ATOM 0 HD13 ILE B 220 45.700 16.176 8.094 1.00 0.00 H new ATOM 930 N ARG B 221 48.211 13.871 3.559 1.00 0.00 N ATOM 931 CA ARG B 221 48.407 14.170 2.144 1.00 0.00 C ATOM 932 C ARG B 221 48.180 12.922 1.295 1.00 0.00 C ATOM 933 O ARG B 221 47.454 12.960 0.302 1.00 0.00 O ATOM 934 CB ARG B 221 49.824 14.695 1.912 1.00 0.00 C ATOM 935 CG ARG B 221 49.950 16.103 2.498 1.00 0.00 C ATOM 936 CD ARG B 221 51.363 16.635 2.253 1.00 0.00 C ATOM 937 NE ARG B 221 52.326 15.904 3.069 1.00 0.00 N ATOM 938 CZ ARG B 221 53.634 16.085 2.916 1.00 0.00 C ATOM 939 NH1 ARG B 221 54.076 16.929 2.024 1.00 0.00 N ATOM 940 NH2 ARG B 221 54.475 15.419 3.658 1.00 0.00 N ATOM 0 H ARG B 221 49.026 14.043 4.147 1.00 0.00 H new ATOM 0 HA ARG B 221 47.685 14.932 1.851 1.00 0.00 H new ATOM 0 HB2 ARG B 221 50.551 14.029 2.378 1.00 0.00 H new ATOM 0 HB3 ARG B 221 50.046 14.713 0.845 1.00 0.00 H new ATOM 0 HG2 ARG B 221 49.216 16.766 2.040 1.00 0.00 H new ATOM 0 HG3 ARG B 221 49.738 16.083 3.567 1.00 0.00 H new ATOM 0 HD2 ARG B 221 51.619 16.535 1.198 1.00 0.00 H new ATOM 0 HD3 ARG B 221 51.406 17.698 2.492 1.00 0.00 H new ATOM 0 HE ARG B 221 51.990 15.243 3.769 1.00 0.00 H new ATOM 0 HH11 ARG B 221 53.418 17.450 1.444 1.00 0.00 H new ATOM 0 HH12 ARG B 221 55.080 17.068 1.907 1.00 0.00 H new ATOM 0 HH21 ARG B 221 54.129 14.760 4.355 1.00 0.00 H new ATOM 0 HH22 ARG B 221 55.479 15.557 3.541 1.00 0.00 H new ATOM 954 N LYS B 222 48.806 11.819 1.692 1.00 0.00 N ATOM 955 CA LYS B 222 48.657 10.564 0.965 1.00 0.00 C ATOM 956 C LYS B 222 47.226 10.047 1.075 1.00 0.00 C ATOM 957 O LYS B 222 46.738 9.348 0.187 1.00 0.00 O ATOM 958 CB LYS B 222 49.624 9.518 1.521 1.00 0.00 C ATOM 959 CG LYS B 222 49.498 8.226 0.712 1.00 0.00 C ATOM 960 CD LYS B 222 49.998 8.464 -0.714 1.00 0.00 C ATOM 961 CE LYS B 222 50.371 7.127 -1.355 1.00 0.00 C ATOM 962 NZ LYS B 222 49.140 6.308 -1.548 1.00 0.00 N ATOM 0 H LYS B 222 49.417 11.768 2.507 1.00 0.00 H new ATOM 0 HA LYS B 222 48.886 10.746 -0.085 1.00 0.00 H new ATOM 0 HB2 LYS B 222 50.647 9.891 1.473 1.00 0.00 H new ATOM 0 HB3 LYS B 222 49.404 9.325 2.571 1.00 0.00 H new ATOM 0 HG2 LYS B 222 50.077 7.432 1.183 1.00 0.00 H new ATOM 0 HG3 LYS B 222 48.459 7.896 0.694 1.00 0.00 H new ATOM 0 HD2 LYS B 222 49.226 8.959 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS B 222 50.863 9.127 -0.701 1.00 0.00 H new ATOM 0 HE2 LYS B 222 50.863 7.295 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS B 222 51.080 6.593 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 49.371 5.460 -2.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 48.764 6.023 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 48.425 6.869 -2.053 1.00 0.00 H new ATOM 976 N GLN B 223 46.559 10.394 2.172 1.00 0.00 N ATOM 977 CA GLN B 223 45.187 9.952 2.390 1.00 0.00 C ATOM 978 C GLN B 223 44.237 10.656 1.426 1.00 0.00 C ATOM 979 O GLN B 223 43.328 10.038 0.872 1.00 0.00 O ATOM 980 CB GLN B 223 44.766 10.247 3.831 1.00 0.00 C ATOM 981 CG GLN B 223 43.368 9.677 4.083 1.00 0.00 C ATOM 982 CD GLN B 223 43.400 8.156 3.977 1.00 0.00 C ATOM 983 OE1 GLN B 223 44.360 7.522 4.416 1.00 0.00 O ATOM 984 NE2 GLN B 223 42.401 7.529 3.419 1.00 0.00 N ATOM 0 H GLN B 223 46.943 10.975 2.917 1.00 0.00 H new ATOM 0 HA GLN B 223 45.138 8.878 2.210 1.00 0.00 H new ATOM 0 HB2 GLN B 223 45.480 9.807 4.527 1.00 0.00 H new ATOM 0 HB3 GLN B 223 44.769 11.322 4.009 1.00 0.00 H new ATOM 0 HG2 GLN B 223 43.018 9.974 5.072 1.00 0.00 H new ATOM 0 HG3 GLN B 223 42.663 10.086 3.359 1.00 0.00 H new ATOM 0 HE21 GLN B 223 41.607 8.056 3.056 1.00 0.00 H new ATOM 0 HE22 GLN B 223 42.414 6.512 3.346 1.00 0.00 H new ATOM 993 N GLU B 224 44.454 11.953 1.230 1.00 0.00 N ATOM 994 CA GLU B 224 43.607 12.731 0.333 1.00 0.00 C ATOM 995 C GLU B 224 43.839 12.316 -1.116 1.00 0.00 C ATOM 996 O GLU B 224 42.903 12.272 -1.916 1.00 0.00 O ATOM 997 CB GLU B 224 43.910 14.223 0.494 1.00 0.00 C ATOM 998 CG GLU B 224 43.438 14.695 1.870 1.00 0.00 C ATOM 999 CD GLU B 224 43.835 16.152 2.085 1.00 0.00 C ATOM 1000 OE1 GLU B 224 44.505 16.696 1.223 1.00 0.00 O ATOM 1001 OE2 GLU B 224 43.461 16.702 3.108 1.00 0.00 O ATOM 0 H GLU B 224 45.202 12.484 1.676 1.00 0.00 H new ATOM 0 HA GLU B 224 42.565 12.542 0.591 1.00 0.00 H new ATOM 0 HB2 GLU B 224 44.980 14.401 0.384 1.00 0.00 H new ATOM 0 HB3 GLU B 224 43.410 14.793 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU B 224 42.356 14.589 1.949 1.00 0.00 H new ATOM 0 HG3 GLU B 224 43.877 14.071 2.648 1.00 0.00 H new ATOM 1008 N GLU B 225 45.089 12.012 -1.448 1.00 0.00 N ATOM 1009 CA GLU B 225 45.432 11.606 -2.806 1.00 0.00 C ATOM 1010 C GLU B 225 44.699 10.321 -3.182 1.00 0.00 C ATOM 1011 O GLU B 225 44.228 10.170 -4.309 1.00 0.00 O ATOM 1012 CB GLU B 225 46.941 11.386 -2.921 1.00 0.00 C ATOM 1013 CG GLU B 225 47.657 12.738 -2.887 1.00 0.00 C ATOM 1014 CD GLU B 225 49.166 12.529 -2.948 1.00 0.00 C ATOM 1015 OE1 GLU B 225 49.584 11.387 -3.045 1.00 0.00 O ATOM 1016 OE2 GLU B 225 49.883 13.516 -2.896 1.00 0.00 O ATOM 0 H GLU B 225 45.877 12.039 -0.800 1.00 0.00 H new ATOM 0 HA GLU B 225 45.128 12.399 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.291 10.756 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU B 225 47.173 10.862 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU B 225 47.332 13.352 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU B 225 47.392 13.276 -1.977 1.00 0.00 H new ATOM 1023 N ARG B 226 44.607 9.398 -2.229 1.00 0.00 N ATOM 1024 CA ARG B 226 43.936 8.128 -2.473 1.00 0.00 C ATOM 1025 C ARG B 226 42.458 8.351 -2.776 1.00 0.00 C ATOM 1026 O ARG B 226 41.900 7.732 -3.683 1.00 0.00 O ATOM 1027 CB ARG B 226 44.076 7.220 -1.249 1.00 0.00 C ATOM 1028 CG ARG B 226 43.446 5.858 -1.549 1.00 0.00 C ATOM 1029 CD ARG B 226 43.566 4.958 -0.318 1.00 0.00 C ATOM 1030 NE ARG B 226 43.122 3.605 -0.636 1.00 0.00 N ATOM 1031 CZ ARG B 226 43.123 2.648 0.285 1.00 0.00 C ATOM 1032 NH1 ARG B 226 43.525 2.909 1.499 1.00 0.00 N ATOM 1033 NH2 ARG B 226 42.721 1.445 -0.024 1.00 0.00 N ATOM 0 H ARG B 226 44.986 9.505 -1.288 1.00 0.00 H new ATOM 0 HA ARG B 226 44.404 7.652 -3.335 1.00 0.00 H new ATOM 0 HB2 ARG B 226 45.128 7.097 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG B 226 43.589 7.676 -0.387 1.00 0.00 H new ATOM 0 HG2 ARG B 226 42.398 5.982 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG B 226 43.944 5.395 -2.401 1.00 0.00 H new ATOM 0 HD2 ARG B 226 44.600 4.937 0.027 1.00 0.00 H new ATOM 0 HD3 ARG B 226 42.966 5.363 0.497 1.00 0.00 H new ATOM 0 HE ARG B 226 42.805 3.390 -1.582 1.00 0.00 H new ATOM 0 HH11 ARG B 226 43.839 3.849 1.741 1.00 0.00 H new ATOM 0 HH12 ARG B 226 43.525 2.173 2.205 1.00 0.00 H new ATOM 0 HH21 ARG B 226 42.406 1.240 -0.972 1.00 0.00 H new ATOM 0 HH22 ARG B 226 42.722 0.710 0.683 1.00 0.00 H new ATOM 1047 N VAL B 227 41.830 9.239 -2.012 1.00 0.00 N ATOM 1048 CA VAL B 227 40.417 9.539 -2.210 1.00 0.00 C ATOM 1049 C VAL B 227 40.198 10.236 -3.549 1.00 0.00 C ATOM 1050 O VAL B 227 39.239 9.944 -4.263 1.00 0.00 O ATOM 1051 CB VAL B 227 39.909 10.432 -1.079 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.425 10.732 -1.290 1.00 0.00 C ATOM 1053 CG2 VAL B 227 40.097 9.714 0.260 1.00 0.00 C ATOM 0 H VAL B 227 42.273 9.760 -1.255 1.00 0.00 H new ATOM 0 HA VAL B 227 39.863 8.600 -2.208 1.00 0.00 H new ATOM 0 HB VAL B 227 40.471 11.366 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL B 227 38.064 11.369 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.289 11.243 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL B 227 37.862 9.799 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL B 227 39.735 10.350 1.068 1.00 0.00 H new ATOM 0 HG22 VAL B 227 39.535 8.780 0.254 1.00 0.00 H new ATOM 0 HG23 VAL B 227 41.155 9.500 0.413 1.00 0.00 H new ATOM 1063 N GLN B 228 41.095 11.158 -3.883 1.00 0.00 N ATOM 1064 CA GLN B 228 40.984 11.900 -5.134 1.00 0.00 C ATOM 1065 C GLN B 228 40.988 10.947 -6.325 1.00 0.00 C ATOM 1066 O GLN B 228 40.273 11.160 -7.304 1.00 0.00 O ATOM 1067 CB GLN B 228 42.147 12.885 -5.262 1.00 0.00 C ATOM 1068 CG GLN B 228 42.016 13.663 -6.574 1.00 0.00 C ATOM 1069 CD GLN B 228 43.131 14.698 -6.679 1.00 0.00 C ATOM 1070 OE1 GLN B 228 43.748 15.052 -5.675 1.00 0.00 O ATOM 1071 NE2 GLN B 228 43.428 15.207 -7.844 1.00 0.00 N ATOM 0 H GLN B 228 41.901 11.408 -3.310 1.00 0.00 H new ATOM 0 HA GLN B 228 40.042 12.449 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN B 228 42.149 13.574 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN B 228 43.096 12.349 -5.238 1.00 0.00 H new ATOM 0 HG2 GLN B 228 42.064 12.977 -7.420 1.00 0.00 H new ATOM 0 HG3 GLN B 228 41.045 14.156 -6.619 1.00 0.00 H new ATOM 0 HE21 GLN B 228 42.915 14.912 -8.675 1.00 0.00 H new ATOM 0 HE22 GLN B 228 44.173 15.899 -7.923 1.00 0.00 H new ATOM 1080 N GLN B 229 41.796 9.896 -6.232 1.00 0.00 N ATOM 1081 CA GLN B 229 41.889 8.919 -7.312 1.00 0.00 C ATOM 1082 C GLN B 229 40.548 8.223 -7.521 1.00 0.00 C ATOM 1083 O GLN B 229 40.126 7.996 -8.655 1.00 0.00 O ATOM 1084 CB GLN B 229 42.961 7.879 -6.984 1.00 0.00 C ATOM 1085 CG GLN B 229 44.345 8.526 -7.071 1.00 0.00 C ATOM 1086 CD GLN B 229 45.415 7.528 -6.643 1.00 0.00 C ATOM 1087 OE1 GLN B 229 45.409 7.060 -5.505 1.00 0.00 O ATOM 1088 NE2 GLN B 229 46.339 7.173 -7.492 1.00 0.00 N ATOM 0 H GLN B 229 42.391 9.699 -5.427 1.00 0.00 H new ATOM 0 HA GLN B 229 42.160 9.443 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN B 229 42.798 7.477 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN B 229 42.895 7.042 -7.679 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.535 8.861 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN B 229 44.384 9.409 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN B 229 46.342 7.562 -8.435 1.00 0.00 H new ATOM 0 HE22 GLN B 229 47.059 6.506 -7.213 1.00 0.00 H new ATOM 1097 N VAL B 230 39.883 7.887 -6.421 1.00 0.00 N ATOM 1098 CA VAL B 230 38.589 7.219 -6.497 1.00 0.00 C ATOM 1099 C VAL B 230 37.563 8.114 -7.185 1.00 0.00 C ATOM 1100 O VAL B 230 36.786 7.654 -8.023 1.00 0.00 O ATOM 1101 CB VAL B 230 38.099 6.867 -5.092 1.00 0.00 C ATOM 1102 CG1 VAL B 230 36.647 6.391 -5.160 1.00 0.00 C ATOM 1103 CG2 VAL B 230 38.973 5.751 -4.514 1.00 0.00 C ATOM 0 H VAL B 230 40.215 8.064 -5.473 1.00 0.00 H new ATOM 0 HA VAL B 230 38.707 6.306 -7.080 1.00 0.00 H new ATOM 0 HB VAL B 230 38.162 7.749 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL B 230 36.299 6.140 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL B 230 36.023 7.184 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL B 230 36.583 5.509 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL B 230 38.625 5.498 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL B 230 38.909 4.870 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL B 230 40.008 6.088 -4.464 1.00 0.00 H new ATOM 1113 N ARG B 231 37.566 9.394 -6.828 1.00 0.00 N ATOM 1114 CA ARG B 231 36.632 10.344 -7.419 1.00 0.00 C ATOM 1115 C ARG B 231 36.874 10.469 -8.920 1.00 0.00 C ATOM 1116 O ARG B 231 35.931 10.527 -9.709 1.00 0.00 O ATOM 1117 CB ARG B 231 36.792 11.715 -6.759 1.00 0.00 C ATOM 1118 CG ARG B 231 35.760 12.685 -7.338 1.00 0.00 C ATOM 1119 CD ARG B 231 35.892 14.043 -6.649 1.00 0.00 C ATOM 1120 NE ARG B 231 37.170 14.660 -6.989 1.00 0.00 N ATOM 1121 CZ ARG B 231 37.609 15.733 -6.341 1.00 0.00 C ATOM 1122 NH1 ARG B 231 36.895 16.254 -5.381 1.00 0.00 N ATOM 1123 NH2 ARG B 231 38.755 16.268 -6.664 1.00 0.00 N ATOM 0 H ARG B 231 38.200 9.795 -6.137 1.00 0.00 H new ATOM 0 HA ARG B 231 35.618 9.978 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG B 231 36.660 11.629 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG B 231 37.799 12.096 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG B 231 35.911 12.794 -8.412 1.00 0.00 H new ATOM 0 HG3 ARG B 231 34.754 12.290 -7.196 1.00 0.00 H new ATOM 0 HD2 ARG B 231 35.073 14.695 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG B 231 35.816 13.920 -5.569 1.00 0.00 H new ATOM 0 HE ARG B 231 37.736 14.260 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG B 231 35.999 15.837 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG B 231 37.233 17.078 -4.884 1.00 0.00 H new ATOM 0 HH21 ARG B 231 39.314 15.862 -7.414 1.00 0.00 H new ATOM 0 HH22 ARG B 231 39.092 17.092 -6.166 1.00 0.00 H new ATOM 1137 N LYS B 232 38.145 10.510 -9.307 1.00 0.00 N ATOM 1138 CA LYS B 232 38.499 10.632 -10.717 1.00 0.00 C ATOM 1139 C LYS B 232 37.878 9.497 -11.525 1.00 0.00 C ATOM 1140 O LYS B 232 37.214 9.731 -12.535 1.00 0.00 O ATOM 1141 CB LYS B 232 40.020 10.602 -10.878 1.00 0.00 C ATOM 1142 CG LYS B 232 40.382 10.795 -12.352 1.00 0.00 C ATOM 1143 CD LYS B 232 41.904 10.802 -12.508 1.00 0.00 C ATOM 1144 CE LYS B 232 42.265 11.025 -13.978 1.00 0.00 C ATOM 1145 NZ LYS B 232 43.748 11.055 -14.125 1.00 0.00 N ATOM 0 H LYS B 232 38.941 10.461 -8.671 1.00 0.00 H new ATOM 0 HA LYS B 232 38.113 11.581 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.476 11.387 -10.275 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.416 9.653 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS B 232 39.948 9.995 -12.952 1.00 0.00 H new ATOM 0 HG3 LYS B 232 39.964 11.732 -12.720 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.340 11.589 -11.892 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.320 9.857 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS B 232 41.844 10.229 -14.592 1.00 0.00 H new ATOM 0 HE3 LYS B 232 41.835 11.962 -14.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 43.995 11.207 -15.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 44.138 11.829 -13.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 44.147 10.150 -13.803 1.00 0.00 H new ATOM 1159 N LYS B 233 38.098 8.267 -11.073 1.00 0.00 N ATOM 1160 CA LYS B 233 37.554 7.102 -11.761 1.00 0.00 C ATOM 1161 C LYS B 233 36.040 7.037 -11.588 1.00 0.00 C ATOM 1162 O LYS B 233 35.351 6.324 -12.317 1.00 0.00 O ATOM 1163 CB LYS B 233 38.188 5.824 -11.208 1.00 0.00 C ATOM 1164 CG LYS B 233 39.675 5.795 -11.568 1.00 0.00 C ATOM 1165 CD LYS B 233 40.293 4.484 -11.080 1.00 0.00 C ATOM 1166 CE LYS B 233 40.521 4.557 -9.569 1.00 0.00 C ATOM 1167 NZ LYS B 233 41.343 3.392 -9.134 1.00 0.00 N ATOM 0 H LYS B 233 38.645 8.052 -10.239 1.00 0.00 H new ATOM 0 HA LYS B 233 37.784 7.191 -12.823 1.00 0.00 H new ATOM 0 HB2 LYS B 233 38.064 5.783 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS B 233 37.686 4.949 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS B 233 39.801 5.889 -12.647 1.00 0.00 H new ATOM 0 HG3 LYS B 233 40.187 6.642 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS B 233 39.635 3.649 -11.319 1.00 0.00 H new ATOM 0 HD3 LYS B 233 41.238 4.302 -11.592 1.00 0.00 H new ATOM 0 HE2 LYS B 233 41.025 5.488 -9.311 1.00 0.00 H new ATOM 0 HE3 LYS B 233 39.565 4.557 -9.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 41.498 3.441 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 40.845 2.509 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 42.260 3.412 -9.624 1.00 0.00 H new ATOM 1181 N LEU B 234 35.529 7.786 -10.616 1.00 0.00 N ATOM 1182 CA LEU B 234 34.096 7.795 -10.346 1.00 0.00 C ATOM 1183 C LEU B 234 33.358 8.622 -11.394 1.00 0.00 C ATOM 1184 O LEU B 234 32.416 8.143 -12.026 1.00 0.00 O ATOM 1185 CB LEU B 234 33.830 8.374 -8.956 1.00 0.00 C ATOM 1186 CG LEU B 234 32.327 8.353 -8.672 1.00 0.00 C ATOM 1187 CD1 LEU B 234 31.810 6.917 -8.767 1.00 0.00 C ATOM 1188 CD2 LEU B 234 32.066 8.895 -7.265 1.00 0.00 C ATOM 0 H LEU B 234 36.081 8.390 -10.007 1.00 0.00 H new ATOM 0 HA LEU B 234 33.731 6.769 -10.387 1.00 0.00 H new ATOM 0 HB2 LEU B 234 34.361 7.794 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU B 234 34.207 9.395 -8.898 1.00 0.00 H new ATOM 0 HG LEU B 234 31.811 8.975 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU B 234 30.739 6.902 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU B 234 31.996 6.529 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU B 234 32.326 6.295 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU B 234 30.995 8.880 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU B 234 32.582 8.273 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU B 234 32.434 9.918 -7.195 1.00 0.00 H new ATOM 1200 N GLU B 235 33.793 9.865 -11.573 1.00 0.00 N ATOM 1201 CA GLU B 235 33.167 10.749 -12.550 1.00 0.00 C ATOM 1202 C GLU B 235 33.374 10.215 -13.963 1.00 0.00 C ATOM 1203 O GLU B 235 32.511 10.368 -14.828 1.00 0.00 O ATOM 1204 CB GLU B 235 33.764 12.155 -12.440 1.00 0.00 C ATOM 1205 CG GLU B 235 35.276 12.085 -12.664 1.00 0.00 C ATOM 1206 CD GLU B 235 35.884 13.479 -12.547 1.00 0.00 C ATOM 1207 OE1 GLU B 235 35.456 14.220 -11.677 1.00 0.00 O ATOM 1208 OE2 GLU B 235 36.768 13.786 -13.330 1.00 0.00 O ATOM 0 H GLU B 235 34.570 10.281 -11.059 1.00 0.00 H new ATOM 0 HA GLU B 235 32.098 10.792 -12.343 1.00 0.00 H new ATOM 0 HB2 GLU B 235 33.306 12.815 -13.177 1.00 0.00 H new ATOM 0 HB3 GLU B 235 33.550 12.577 -11.458 1.00 0.00 H new ATOM 0 HG2 GLU B 235 35.730 11.418 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU B 235 35.487 11.668 -13.649 1.00 0.00 H new ATOM 1215 N GLU B 236 34.524 9.588 -14.190 1.00 0.00 N ATOM 1216 CA GLU B 236 34.836 9.039 -15.504 1.00 0.00 C ATOM 1217 C GLU B 236 33.795 8.001 -15.912 1.00 0.00 C ATOM 1218 O GLU B 236 33.285 8.027 -17.031 1.00 0.00 O ATOM 1219 CB GLU B 236 36.222 8.392 -15.483 1.00 0.00 C ATOM 1220 CG GLU B 236 37.295 9.482 -15.522 1.00 0.00 C ATOM 1221 CD GLU B 236 38.677 8.861 -15.350 1.00 0.00 C ATOM 1222 OE1 GLU B 236 38.751 7.647 -15.254 1.00 0.00 O ATOM 1223 OE2 GLU B 236 39.642 9.608 -15.318 1.00 0.00 O ATOM 0 H GLU B 236 35.250 9.448 -13.487 1.00 0.00 H new ATOM 0 HA GLU B 236 34.825 9.853 -16.229 1.00 0.00 H new ATOM 0 HB2 GLU B 236 36.338 7.785 -14.585 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.336 7.724 -16.337 1.00 0.00 H new ATOM 0 HG2 GLU B 236 37.244 10.020 -16.469 1.00 0.00 H new ATOM 0 HG3 GLU B 236 37.114 10.210 -14.732 1.00 0.00 H new ATOM 1230 N ALA B 237 33.483 7.090 -14.996 1.00 0.00 N ATOM 1231 CA ALA B 237 32.499 6.050 -15.271 1.00 0.00 C ATOM 1232 C ALA B 237 31.122 6.665 -15.500 1.00 0.00 C ATOM 1233 O ALA B 237 30.272 6.076 -16.168 1.00 0.00 O ATOM 1234 CB ALA B 237 32.432 5.069 -14.099 1.00 0.00 C ATOM 0 H ALA B 237 33.894 7.051 -14.063 1.00 0.00 H new ATOM 0 HA ALA B 237 32.803 5.518 -16.172 1.00 0.00 H new ATOM 0 HB1 ALA B 237 31.694 4.296 -14.313 1.00 0.00 H new ATOM 0 HB2 ALA B 237 33.409 4.608 -13.954 1.00 0.00 H new ATOM 0 HB3 ALA B 237 32.145 5.603 -13.193 1.00 0.00 H new ATOM 1240 N LEU B 238 30.911 7.853 -14.944 1.00 0.00 N ATOM 1241 CA LEU B 238 29.637 8.543 -15.100 1.00 0.00 C ATOM 1242 C LEU B 238 29.580 9.265 -16.441 1.00 0.00 C ATOM 1243 O LEU B 238 28.514 9.392 -17.045 1.00 0.00 O ATOM 1244 CB LEU B 238 29.447 9.553 -13.965 1.00 0.00 C ATOM 1245 CG LEU B 238 28.719 8.881 -12.800 1.00 0.00 C ATOM 1246 CD1 LEU B 238 29.671 7.918 -12.089 1.00 0.00 C ATOM 1247 CD2 LEU B 238 28.246 9.950 -11.813 1.00 0.00 C ATOM 0 H LEU B 238 31.601 8.355 -14.385 1.00 0.00 H new ATOM 0 HA LEU B 238 28.838 7.803 -15.065 1.00 0.00 H new ATOM 0 HB2 LEU B 238 30.415 9.930 -13.634 1.00 0.00 H new ATOM 0 HB3 LEU B 238 28.875 10.411 -14.319 1.00 0.00 H new ATOM 0 HG LEU B 238 27.860 8.328 -13.179 1.00 0.00 H new ATOM 0 HD11 LEU B 238 29.151 7.439 -11.259 1.00 0.00 H new ATOM 0 HD12 LEU B 238 30.011 7.157 -12.792 1.00 0.00 H new ATOM 0 HD13 LEU B 238 30.530 8.470 -11.709 1.00 0.00 H new ATOM 0 HD21 LEU B 238 27.727 9.473 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU B 238 29.106 10.502 -11.435 1.00 0.00 H new ATOM 0 HD23 LEU B 238 27.567 10.637 -12.318 1.00 0.00 H new ATOM 1259 N MET B 239 30.734 9.736 -16.902 1.00 0.00 N ATOM 1260 CA MET B 239 30.805 10.443 -18.175 1.00 0.00 C ATOM 1261 C MET B 239 30.276 9.565 -19.305 1.00 0.00 C ATOM 1262 O MET B 239 29.540 10.032 -20.175 1.00 0.00 O ATOM 1263 CB MET B 239 32.252 10.842 -18.471 1.00 0.00 C ATOM 1264 CG MET B 239 32.306 11.646 -19.771 1.00 0.00 C ATOM 1265 SD MET B 239 34.007 12.178 -20.083 1.00 0.00 S ATOM 1266 CE MET B 239 33.770 13.932 -19.702 1.00 0.00 C ATOM 0 H MET B 239 31.626 9.642 -16.417 1.00 0.00 H new ATOM 0 HA MET B 239 30.188 11.339 -18.107 1.00 0.00 H new ATOM 0 HB2 MET B 239 32.652 11.434 -17.648 1.00 0.00 H new ATOM 0 HB3 MET B 239 32.875 9.952 -18.556 1.00 0.00 H new ATOM 0 HG2 MET B 239 31.946 11.039 -20.601 1.00 0.00 H new ATOM 0 HG3 MET B 239 31.650 12.513 -19.702 1.00 0.00 H new ATOM 0 HE1 MET B 239 34.713 14.463 -19.831 1.00 0.00 H new ATOM 0 HE2 MET B 239 33.022 14.352 -20.374 1.00 0.00 H new ATOM 0 HE3 MET B 239 33.432 14.038 -18.671 1.00 0.00 H new