USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=5 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: B 229 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.34) USER MOD Set 1.2: B 232 LYS NZ :NH3+ -130:sc= 0 (180deg=0) USER MOD Single : A 144 MET CE :methyl 141:sc= -0.14 (180deg=-1.4!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 GLN : amide:sc= -0.0592 K(o=-0.059,f=-3.1!) 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= -0.0158 K(o=-0.016,f=-1.7!) USER MOD Single : A 168 SER OG : rot -51:sc= -0.0592 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 216 THR OG1 : rot 159:sc= -1.08 USER MOD Single : B 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 223 GLN : amide:sc= -4.27! C(o=-4.3!,f=-14!) USER MOD Single : B 228 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.25) USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 239 MET CE :methyl 154:sc= -0.163 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 25.928 -4.614 -15.984 1.00 0.00 N ATOM 36 CA GLU A 139 25.186 -4.404 -14.745 1.00 0.00 C ATOM 37 C GLU A 139 26.135 -4.375 -13.552 1.00 0.00 C ATOM 38 O GLU A 139 25.940 -3.609 -12.609 1.00 0.00 O ATOM 39 CB GLU A 139 24.157 -5.520 -14.556 1.00 0.00 C ATOM 40 CG GLU A 139 24.881 -6.849 -14.329 1.00 0.00 C ATOM 41 CD GLU A 139 23.868 -7.986 -14.240 1.00 0.00 C ATOM 42 OE1 GLU A 139 22.759 -7.730 -13.799 1.00 0.00 O ATOM 43 OE2 GLU A 139 24.215 -9.094 -14.612 1.00 0.00 O ATOM 0 HA GLU A 139 24.672 -3.445 -14.809 1.00 0.00 H new ATOM 0 HB2 GLU A 139 23.513 -5.295 -13.706 1.00 0.00 H new ATOM 0 HB3 GLU A 139 23.514 -5.589 -15.434 1.00 0.00 H new ATOM 0 HG2 GLU A 139 25.579 -7.036 -15.145 1.00 0.00 H new ATOM 0 HG3 GLU A 139 25.468 -6.801 -13.412 1.00 0.00 H new ATOM 50 N GLU A 140 27.164 -5.216 -13.601 1.00 0.00 N ATOM 51 CA GLU A 140 28.140 -5.276 -12.518 1.00 0.00 C ATOM 52 C GLU A 140 28.929 -3.974 -12.436 1.00 0.00 C ATOM 53 O GLU A 140 29.280 -3.517 -11.349 1.00 0.00 O ATOM 54 CB GLU A 140 29.101 -6.444 -12.747 1.00 0.00 C ATOM 55 CG GLU A 140 28.336 -7.765 -12.643 1.00 0.00 C ATOM 56 CD GLU A 140 27.796 -7.944 -11.228 1.00 0.00 C ATOM 57 OE1 GLU A 140 28.330 -7.318 -10.327 1.00 0.00 O ATOM 58 OE2 GLU A 140 26.856 -8.704 -11.065 1.00 0.00 O ATOM 0 H GLU A 140 27.343 -5.860 -14.372 1.00 0.00 H new ATOM 0 HA GLU A 140 27.606 -5.423 -11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 140 29.567 -6.358 -13.729 1.00 0.00 H new ATOM 0 HB3 GLU A 140 29.904 -6.418 -12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 140 27.514 -7.776 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 140 28.993 -8.596 -12.898 1.00 0.00 H new ATOM 65 N ARG A 141 29.205 -3.382 -13.594 1.00 0.00 N ATOM 66 CA ARG A 141 29.954 -2.130 -13.641 1.00 0.00 C ATOM 67 C ARG A 141 29.207 -1.032 -12.891 1.00 0.00 C ATOM 68 O ARG A 141 29.812 -0.235 -12.173 1.00 0.00 O ATOM 69 CB ARG A 141 30.166 -1.704 -15.095 1.00 0.00 C ATOM 70 CG ARG A 141 31.033 -0.444 -15.136 1.00 0.00 C ATOM 71 CD ARG A 141 31.317 -0.067 -16.591 1.00 0.00 C ATOM 72 NE ARG A 141 30.086 0.339 -17.257 1.00 0.00 N ATOM 73 CZ ARG A 141 30.048 0.538 -18.570 1.00 0.00 C ATOM 74 NH1 ARG A 141 31.125 0.369 -19.287 1.00 0.00 N ATOM 75 NH2 ARG A 141 28.933 0.902 -19.143 1.00 0.00 N ATOM 0 H ARG A 141 28.924 -3.745 -14.505 1.00 0.00 H new ATOM 0 HA ARG A 141 30.921 -2.287 -13.164 1.00 0.00 H new ATOM 0 HB2 ARG A 141 30.646 -2.507 -15.654 1.00 0.00 H new ATOM 0 HB3 ARG A 141 29.205 -1.513 -15.573 1.00 0.00 H new ATOM 0 HG2 ARG A 141 30.525 0.376 -14.629 1.00 0.00 H new ATOM 0 HG3 ARG A 141 31.969 -0.616 -14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 141 32.044 0.745 -16.628 1.00 0.00 H new ATOM 0 HD3 ARG A 141 31.759 -0.915 -17.114 1.00 0.00 H new ATOM 0 HE ARG A 141 29.239 0.473 -16.705 1.00 0.00 H new ATOM 0 HH11 ARG A 141 31.996 0.084 -18.839 1.00 0.00 H new ATOM 0 HH12 ARG A 141 31.096 0.522 -20.295 1.00 0.00 H new ATOM 0 HH21 ARG A 141 28.091 1.034 -18.583 1.00 0.00 H new ATOM 0 HH22 ARG A 141 28.904 1.055 -20.151 1.00 0.00 H new ATOM 89 N GLU A 142 27.889 -0.995 -13.062 1.00 0.00 N ATOM 90 CA GLU A 142 27.070 0.014 -12.400 1.00 0.00 C ATOM 91 C GLU A 142 27.040 -0.224 -10.894 1.00 0.00 C ATOM 92 O GLU A 142 27.130 0.717 -10.105 1.00 0.00 O ATOM 93 CB GLU A 142 25.645 -0.026 -12.954 1.00 0.00 C ATOM 94 CG GLU A 142 24.823 1.102 -12.329 1.00 0.00 C ATOM 95 CD GLU A 142 23.438 1.153 -12.965 1.00 0.00 C ATOM 96 OE1 GLU A 142 23.087 0.204 -13.647 1.00 0.00 O ATOM 97 OE2 GLU A 142 22.750 2.140 -12.763 1.00 0.00 O ATOM 0 H GLU A 142 27.369 -1.647 -13.649 1.00 0.00 H new ATOM 0 HA GLU A 142 27.507 0.994 -12.592 1.00 0.00 H new ATOM 0 HB2 GLU A 142 25.662 0.080 -14.039 1.00 0.00 H new ATOM 0 HB3 GLU A 142 25.185 -0.990 -12.735 1.00 0.00 H new ATOM 0 HG2 GLU A 142 24.733 0.945 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 142 25.332 2.055 -12.470 1.00 0.00 H new ATOM 104 N ARG A 143 26.910 -1.487 -10.501 1.00 0.00 N ATOM 105 CA ARG A 143 26.867 -1.836 -9.086 1.00 0.00 C ATOM 106 C ARG A 143 28.173 -1.452 -8.398 1.00 0.00 C ATOM 107 O ARG A 143 28.171 -0.991 -7.256 1.00 0.00 O ATOM 108 CB ARG A 143 26.624 -3.338 -8.926 1.00 0.00 C ATOM 109 CG ARG A 143 25.196 -3.673 -9.360 1.00 0.00 C ATOM 110 CD ARG A 143 24.962 -5.179 -9.230 1.00 0.00 C ATOM 111 NE ARG A 143 23.606 -5.516 -9.648 1.00 0.00 N ATOM 112 CZ ARG A 143 23.111 -6.734 -9.455 1.00 0.00 C ATOM 113 NH1 ARG A 143 23.841 -7.653 -8.884 1.00 0.00 N ATOM 114 NH2 ARG A 143 21.894 -7.013 -9.837 1.00 0.00 N ATOM 0 H ARG A 143 26.833 -2.280 -11.137 1.00 0.00 H new ATOM 0 HA ARG A 143 26.050 -1.285 -8.620 1.00 0.00 H new ATOM 0 HB2 ARG A 143 27.339 -3.899 -9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 143 26.779 -3.634 -7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 143 24.480 -3.129 -8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 143 25.034 -3.357 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 143 25.684 -5.721 -9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 143 25.120 -5.491 -8.198 1.00 0.00 H new ATOM 0 HE ARG A 143 23.028 -4.805 -10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 143 24.792 -7.436 -8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 143 23.460 -8.588 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 143 21.323 -6.296 -10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 143 21.515 -7.948 -9.689 1.00 0.00 H new ATOM 128 N MET A 144 29.284 -1.644 -9.100 1.00 0.00 N ATOM 129 CA MET A 144 30.592 -1.316 -8.544 1.00 0.00 C ATOM 130 C MET A 144 30.700 0.183 -8.282 1.00 0.00 C ATOM 131 O MET A 144 31.270 0.608 -7.277 1.00 0.00 O ATOM 132 CB MET A 144 31.696 -1.747 -9.511 1.00 0.00 C ATOM 133 CG MET A 144 31.846 -3.269 -9.469 1.00 0.00 C ATOM 134 SD MET A 144 33.114 -3.784 -10.654 1.00 0.00 S ATOM 135 CE MET A 144 34.524 -3.003 -9.831 1.00 0.00 C ATOM 0 H MET A 144 29.306 -2.022 -10.047 1.00 0.00 H new ATOM 0 HA MET A 144 30.709 -1.849 -7.601 1.00 0.00 H new ATOM 0 HB2 MET A 144 31.455 -1.423 -10.523 1.00 0.00 H new ATOM 0 HB3 MET A 144 32.638 -1.271 -9.240 1.00 0.00 H new ATOM 0 HG2 MET A 144 32.120 -3.590 -8.464 1.00 0.00 H new ATOM 0 HG3 MET A 144 30.895 -3.745 -9.708 1.00 0.00 H new ATOM 0 HE1 MET A 144 35.392 -3.658 -9.897 1.00 0.00 H new ATOM 0 HE2 MET A 144 34.748 -2.053 -10.317 1.00 0.00 H new ATOM 0 HE3 MET A 144 34.281 -2.826 -8.783 1.00 0.00 H new ATOM 145 N ILE A 145 30.148 0.979 -9.192 1.00 0.00 N ATOM 146 CA ILE A 145 30.193 2.429 -9.052 1.00 0.00 C ATOM 147 C ILE A 145 29.472 2.868 -7.781 1.00 0.00 C ATOM 148 O ILE A 145 29.953 3.733 -7.050 1.00 0.00 O ATOM 149 CB ILE A 145 29.542 3.092 -10.266 1.00 0.00 C ATOM 150 CG1 ILE A 145 30.416 2.862 -11.502 1.00 0.00 C ATOM 151 CG2 ILE A 145 29.403 4.595 -10.014 1.00 0.00 C ATOM 152 CD1 ILE A 145 29.659 3.309 -12.754 1.00 0.00 C ATOM 0 H ILE A 145 29.668 0.647 -10.028 1.00 0.00 H new ATOM 0 HA ILE A 145 31.237 2.736 -8.988 1.00 0.00 H new ATOM 0 HB ILE A 145 28.556 2.658 -10.431 1.00 0.00 H new ATOM 0 HG12 ILE A 145 31.348 3.419 -11.410 1.00 0.00 H new ATOM 0 HG13 ILE A 145 30.681 1.808 -11.582 1.00 0.00 H new ATOM 0 HG21 ILE A 145 28.939 5.068 -10.880 1.00 0.00 H new ATOM 0 HG22 ILE A 145 28.782 4.760 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 145 30.389 5.029 -9.849 1.00 0.00 H new ATOM 0 HD11 ILE A 145 30.282 3.145 -13.634 1.00 0.00 H new ATOM 0 HD12 ILE A 145 28.739 2.732 -12.848 1.00 0.00 H new ATOM 0 HD13 ILE A 145 29.416 4.369 -12.674 1.00 0.00 H new ATOM 164 N LYS A 146 28.316 2.263 -7.526 1.00 0.00 N ATOM 165 CA LYS A 146 27.536 2.601 -6.341 1.00 0.00 C ATOM 166 C LYS A 146 28.298 2.225 -5.075 1.00 0.00 C ATOM 167 O LYS A 146 28.281 2.959 -4.087 1.00 0.00 O ATOM 168 CB LYS A 146 26.195 1.863 -6.370 1.00 0.00 C ATOM 169 CG LYS A 146 25.320 2.439 -7.485 1.00 0.00 C ATOM 170 CD LYS A 146 23.974 1.712 -7.505 1.00 0.00 C ATOM 171 CE LYS A 146 23.098 2.290 -8.618 1.00 0.00 C ATOM 172 NZ LYS A 146 21.771 1.610 -8.610 1.00 0.00 N ATOM 0 H LYS A 146 27.902 1.543 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 146 27.358 3.676 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 146 26.357 0.798 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 146 25.691 1.964 -5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 146 25.166 3.506 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 146 25.819 2.328 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 146 24.127 0.645 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 146 23.476 1.821 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 146 22.970 3.363 -8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 146 23.583 2.154 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 21.175 2.003 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 21.902 0.590 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.309 1.762 -7.691 1.00 0.00 H new ATOM 186 N GLN A 147 28.968 1.077 -5.112 1.00 0.00 N ATOM 187 CA GLN A 147 29.733 0.614 -3.960 1.00 0.00 C ATOM 188 C GLN A 147 30.882 1.571 -3.664 1.00 0.00 C ATOM 189 O GLN A 147 31.201 1.834 -2.504 1.00 0.00 O ATOM 190 CB GLN A 147 30.287 -0.787 -4.230 1.00 0.00 C ATOM 191 CG GLN A 147 29.135 -1.793 -4.271 1.00 0.00 C ATOM 192 CD GLN A 147 29.668 -3.181 -4.614 1.00 0.00 C ATOM 193 OE1 GLN A 147 30.220 -3.384 -5.695 1.00 0.00 O ATOM 194 NE2 GLN A 147 29.533 -4.152 -3.754 1.00 0.00 N ATOM 0 H GLN A 147 28.997 0.455 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 147 29.071 0.580 -3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 147 30.828 -0.799 -5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 147 30.998 -1.064 -3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 147 28.628 -1.817 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 147 28.397 -1.484 -5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 147 29.075 -3.980 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 147 29.885 -5.083 -3.976 1.00 0.00 H new ATOM 203 N LEU A 148 31.501 2.088 -4.719 1.00 0.00 N ATOM 204 CA LEU A 148 32.618 3.013 -4.561 1.00 0.00 C ATOM 205 C LEU A 148 32.148 4.310 -3.912 1.00 0.00 C ATOM 206 O LEU A 148 32.874 4.924 -3.132 1.00 0.00 O ATOM 207 CB LEU A 148 33.242 3.318 -5.924 1.00 0.00 C ATOM 208 CG LEU A 148 34.393 2.348 -6.189 1.00 0.00 C ATOM 209 CD1 LEU A 148 33.832 0.949 -6.451 1.00 0.00 C ATOM 210 CD2 LEU A 148 35.183 2.816 -7.412 1.00 0.00 C ATOM 0 H LEU A 148 31.251 1.885 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 148 33.365 2.547 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 148 32.490 3.229 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 148 33.606 4.345 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 148 35.050 2.319 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 148 34.653 0.257 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 148 33.268 0.614 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 148 33.174 0.978 -7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 148 36.004 2.124 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 148 34.525 2.845 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 148 35.584 3.813 -7.227 1.00 0.00 H new ATOM 222 N LYS A 149 30.927 4.720 -4.241 1.00 0.00 N ATOM 223 CA LYS A 149 30.372 5.951 -3.692 1.00 0.00 C ATOM 224 C LYS A 149 30.218 5.837 -2.178 1.00 0.00 C ATOM 225 O LYS A 149 30.383 6.818 -1.452 1.00 0.00 O ATOM 226 CB LYS A 149 29.009 6.239 -4.324 1.00 0.00 C ATOM 227 CG LYS A 149 29.203 6.658 -5.783 1.00 0.00 C ATOM 228 CD LYS A 149 27.837 6.860 -6.442 1.00 0.00 C ATOM 229 CE LYS A 149 27.294 8.243 -6.078 1.00 0.00 C ATOM 230 NZ LYS A 149 26.062 8.517 -6.871 1.00 0.00 N ATOM 0 H LYS A 149 30.308 4.222 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 149 31.056 6.769 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 149 28.376 5.353 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 149 28.500 7.029 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 149 29.783 7.580 -5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 149 29.768 5.896 -6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 149 27.926 6.766 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 149 27.144 6.087 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 149 27.071 8.289 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 149 28.046 9.006 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 25.692 9.457 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 26.289 8.490 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 25.344 7.796 -6.657 1.00 0.00 H new ATOM 244 N GLU A 150 29.902 4.634 -1.710 1.00 0.00 N ATOM 245 CA GLU A 150 29.708 4.409 -0.282 1.00 0.00 C ATOM 246 C GLU A 150 31.012 4.631 0.475 1.00 0.00 C ATOM 247 O GLU A 150 31.049 5.359 1.467 1.00 0.00 O ATOM 248 CB GLU A 150 29.211 2.981 -0.042 1.00 0.00 C ATOM 249 CG GLU A 150 28.948 2.777 1.451 1.00 0.00 C ATOM 250 CD GLU A 150 28.379 1.383 1.694 1.00 0.00 C ATOM 251 OE1 GLU A 150 28.427 0.578 0.779 1.00 0.00 O ATOM 252 OE2 GLU A 150 27.902 1.143 2.790 1.00 0.00 O ATOM 0 H GLU A 150 29.776 3.806 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 150 28.964 5.118 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 150 28.299 2.802 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 150 29.952 2.263 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 150 29.874 2.904 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 150 28.250 3.532 1.812 1.00 0.00 H new ATOM 259 N GLU A 151 32.081 4.000 0.000 1.00 0.00 N ATOM 260 CA GLU A 151 33.383 4.133 0.643 1.00 0.00 C ATOM 261 C GLU A 151 33.876 5.573 0.558 1.00 0.00 C ATOM 262 O GLU A 151 34.564 6.058 1.455 1.00 0.00 O ATOM 263 CB GLU A 151 34.396 3.204 -0.030 1.00 0.00 C ATOM 264 CG GLU A 151 34.029 1.749 0.266 1.00 0.00 C ATOM 265 CD GLU A 151 34.991 0.811 -0.457 1.00 0.00 C ATOM 266 OE1 GLU A 151 35.851 1.308 -1.165 1.00 0.00 O ATOM 267 OE2 GLU A 151 34.853 -0.390 -0.291 1.00 0.00 O ATOM 0 H GLU A 151 32.072 3.396 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 151 33.279 3.857 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 151 34.404 3.376 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 151 35.400 3.418 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 151 34.068 1.567 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 151 33.006 1.551 -0.054 1.00 0.00 H new ATOM 274 N LEU A 152 33.518 6.253 -0.528 1.00 0.00 N ATOM 275 CA LEU A 152 33.939 7.634 -0.724 1.00 0.00 C ATOM 276 C LEU A 152 33.402 8.521 0.395 1.00 0.00 C ATOM 277 O LEU A 152 34.110 9.389 0.906 1.00 0.00 O ATOM 278 CB LEU A 152 33.431 8.148 -2.074 1.00 0.00 C ATOM 279 CG LEU A 152 34.346 7.643 -3.190 1.00 0.00 C ATOM 280 CD1 LEU A 152 33.732 7.985 -4.548 1.00 0.00 C ATOM 281 CD2 LEU A 152 35.716 8.314 -3.067 1.00 0.00 C ATOM 0 H LEU A 152 32.942 5.873 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 152 35.028 7.668 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 152 32.410 7.806 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 152 33.407 9.238 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 152 34.460 6.562 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 152 34.385 7.625 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 152 32.756 7.509 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 152 33.618 9.066 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 152 36.370 7.955 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 152 35.601 9.395 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 152 36.155 8.071 -2.099 1.00 0.00 H new ATOM 293 N ARG A 153 32.148 8.294 0.772 1.00 0.00 N ATOM 294 CA ARG A 153 31.525 9.082 1.829 1.00 0.00 C ATOM 295 C ARG A 153 32.224 8.831 3.162 1.00 0.00 C ATOM 296 O ARG A 153 32.525 9.768 3.902 1.00 0.00 O ATOM 297 CB ARG A 153 30.045 8.716 1.951 1.00 0.00 C ATOM 298 CG ARG A 153 29.386 9.597 3.015 1.00 0.00 C ATOM 299 CD ARG A 153 27.909 9.226 3.143 1.00 0.00 C ATOM 300 NE ARG A 153 27.190 9.587 1.926 1.00 0.00 N ATOM 301 CZ ARG A 153 25.973 9.110 1.680 1.00 0.00 C ATOM 302 NH1 ARG A 153 25.402 8.306 2.535 1.00 0.00 N ATOM 303 NH2 ARG A 153 25.350 9.447 0.584 1.00 0.00 N ATOM 0 H ARG A 153 31.547 7.577 0.365 1.00 0.00 H new ATOM 0 HA ARG A 153 31.617 10.138 1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 153 29.546 8.852 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 153 29.941 7.665 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 153 29.889 9.466 3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 153 29.485 10.648 2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 153 27.810 8.156 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 153 27.471 9.740 3.999 1.00 0.00 H new ATOM 0 HE ARG A 153 27.628 10.216 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 153 25.889 8.043 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.469 7.940 2.346 1.00 0.00 H new ATOM 0 HH21 ARG A 153 25.796 10.076 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 153 24.417 9.081 0.395 1.00 0.00 H new ATOM 317 N LEU A 154 32.480 7.562 3.460 1.00 0.00 N ATOM 318 CA LEU A 154 33.147 7.199 4.706 1.00 0.00 C ATOM 319 C LEU A 154 34.587 7.702 4.706 1.00 0.00 C ATOM 320 O LEU A 154 35.080 8.203 5.716 1.00 0.00 O ATOM 321 CB LEU A 154 33.133 5.680 4.883 1.00 0.00 C ATOM 322 CG LEU A 154 31.701 5.207 5.133 1.00 0.00 C ATOM 323 CD1 LEU A 154 31.663 3.678 5.155 1.00 0.00 C ATOM 324 CD2 LEU A 154 31.215 5.747 6.480 1.00 0.00 C ATOM 0 H LEU A 154 32.238 6.772 2.861 1.00 0.00 H new ATOM 0 HA LEU A 154 32.611 7.664 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 154 33.537 5.196 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 154 33.772 5.395 5.719 1.00 0.00 H new ATOM 0 HG LEU A 154 31.054 5.574 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 154 30.642 3.342 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 154 32.010 3.292 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 154 32.310 3.309 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 154 30.194 5.411 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 154 31.864 5.379 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 154 31.241 6.837 6.466 1.00 0.00 H new ATOM 336 N GLU A 155 35.256 7.564 3.565 1.00 0.00 N ATOM 337 CA GLU A 155 36.641 8.004 3.446 1.00 0.00 C ATOM 338 C GLU A 155 36.737 9.515 3.617 1.00 0.00 C ATOM 339 O GLU A 155 37.697 10.025 4.196 1.00 0.00 O ATOM 340 CB GLU A 155 37.198 7.606 2.078 1.00 0.00 C ATOM 341 CG GLU A 155 38.673 8.003 1.992 1.00 0.00 C ATOM 342 CD GLU A 155 39.487 7.207 3.007 1.00 0.00 C ATOM 343 OE1 GLU A 155 39.014 6.164 3.429 1.00 0.00 O ATOM 344 OE2 GLU A 155 40.571 7.652 3.347 1.00 0.00 O ATOM 0 H GLU A 155 34.865 7.154 2.717 1.00 0.00 H new ATOM 0 HA GLU A 155 37.226 7.523 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 155 37.090 6.532 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 155 36.632 8.097 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 155 39.050 7.818 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 155 38.783 9.071 2.182 1.00 0.00 H new ATOM 351 N GLU A 156 35.734 10.228 3.112 1.00 0.00 N ATOM 352 CA GLU A 156 35.716 11.682 3.216 1.00 0.00 C ATOM 353 C GLU A 156 35.336 12.111 4.629 1.00 0.00 C ATOM 354 O GLU A 156 35.948 13.015 5.200 1.00 0.00 O ATOM 355 CB GLU A 156 34.714 12.264 2.216 1.00 0.00 C ATOM 356 CG GLU A 156 35.201 13.636 1.746 1.00 0.00 C ATOM 357 CD GLU A 156 35.234 14.608 2.920 1.00 0.00 C ATOM 358 OE1 GLU A 156 34.378 14.495 3.783 1.00 0.00 O ATOM 359 OE2 GLU A 156 36.116 15.452 2.941 1.00 0.00 O ATOM 0 H GLU A 156 34.930 9.826 2.631 1.00 0.00 H new ATOM 0 HA GLU A 156 36.714 12.058 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 156 34.604 11.594 1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 156 33.732 12.354 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 156 36.195 13.548 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 156 34.542 14.017 0.966 1.00 0.00 H new ATOM 366 N ALA A 157 34.324 11.457 5.188 1.00 0.00 N ATOM 367 CA ALA A 157 33.875 11.775 6.538 1.00 0.00 C ATOM 368 C ALA A 157 35.057 11.809 7.501 1.00 0.00 C ATOM 369 O ALA A 157 35.238 12.774 8.243 1.00 0.00 O ATOM 370 CB ALA A 157 32.859 10.732 7.011 1.00 0.00 C ATOM 0 H ALA A 157 33.802 10.709 4.731 1.00 0.00 H new ATOM 0 HA ALA A 157 33.405 12.758 6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.529 10.977 8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 157 32.001 10.729 6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.323 9.746 7.011 1.00 0.00 H new ATOM 376 N LYS A 158 35.859 10.749 7.482 1.00 0.00 N ATOM 377 CA LYS A 158 37.024 10.671 8.355 1.00 0.00 C ATOM 378 C LYS A 158 37.984 11.822 8.068 1.00 0.00 C ATOM 379 O LYS A 158 38.613 12.360 8.980 1.00 0.00 O ATOM 380 CB LYS A 158 37.746 9.338 8.146 1.00 0.00 C ATOM 381 CG LYS A 158 36.871 8.197 8.669 1.00 0.00 C ATOM 382 CD LYS A 158 37.606 6.867 8.491 1.00 0.00 C ATOM 383 CE LYS A 158 36.744 5.729 9.040 1.00 0.00 C ATOM 384 NZ LYS A 158 37.451 4.431 8.845 1.00 0.00 N ATOM 0 H LYS A 158 35.725 9.939 6.877 1.00 0.00 H new ATOM 0 HA LYS A 158 36.686 10.742 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 158 37.961 9.190 7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 158 38.703 9.345 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 158 36.637 8.357 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 158 35.923 8.176 8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 158 37.822 6.697 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 158 38.563 6.896 9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 158 36.542 5.890 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 158 35.780 5.710 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 36.865 3.657 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 37.622 4.278 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 38.360 4.452 9.350 1.00 0.00 H new ATOM 398 N LEU A 159 38.090 12.194 6.797 1.00 0.00 N ATOM 399 CA LEU A 159 38.975 13.285 6.403 1.00 0.00 C ATOM 400 C LEU A 159 38.605 14.566 7.143 1.00 0.00 C ATOM 401 O LEU A 159 39.468 15.238 7.708 1.00 0.00 O ATOM 402 CB LEU A 159 38.877 13.518 4.894 1.00 0.00 C ATOM 403 CG LEU A 159 40.201 14.082 4.378 1.00 0.00 C ATOM 404 CD1 LEU A 159 40.590 15.311 5.201 1.00 0.00 C ATOM 405 CD2 LEU A 159 41.292 13.017 4.507 1.00 0.00 C ATOM 0 H LEU A 159 37.579 11.761 6.028 1.00 0.00 H new ATOM 0 HA LEU A 159 39.998 13.011 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 159 38.645 12.582 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 159 38.064 14.210 4.674 1.00 0.00 H new ATOM 0 HG LEU A 159 40.091 14.367 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 159 41.534 15.712 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 159 39.813 16.070 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 159 40.700 15.028 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 159 42.237 13.418 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 159 41.401 12.733 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 159 41.016 12.141 3.920 1.00 0.00 H new ATOM 417 N VAL A 160 37.318 14.897 7.135 1.00 0.00 N ATOM 418 CA VAL A 160 36.845 16.097 7.815 1.00 0.00 C ATOM 419 C VAL A 160 37.208 16.051 9.295 1.00 0.00 C ATOM 420 O VAL A 160 37.680 17.040 9.858 1.00 0.00 O ATOM 421 CB VAL A 160 35.328 16.219 7.663 1.00 0.00 C ATOM 422 CG1 VAL A 160 34.818 17.365 8.538 1.00 0.00 C ATOM 423 CG2 VAL A 160 34.983 16.505 6.200 1.00 0.00 C ATOM 0 H VAL A 160 36.589 14.356 6.669 1.00 0.00 H new ATOM 0 HA VAL A 160 37.326 16.963 7.361 1.00 0.00 H new ATOM 0 HB VAL A 160 34.857 15.286 7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 160 33.737 17.452 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.063 17.164 9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 160 35.290 18.297 8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 160 33.902 16.592 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 160 35.455 17.437 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 160 35.346 15.690 5.574 1.00 0.00 H new ATOM 433 N LEU A 161 36.987 14.899 9.918 1.00 0.00 N ATOM 434 CA LEU A 161 37.290 14.737 11.335 1.00 0.00 C ATOM 435 C LEU A 161 38.782 14.929 11.587 1.00 0.00 C ATOM 436 O LEU A 161 39.180 15.611 12.531 1.00 0.00 O ATOM 437 CB LEU A 161 36.865 13.344 11.805 1.00 0.00 C ATOM 438 CG LEU A 161 35.405 13.382 12.258 1.00 0.00 C ATOM 439 CD1 LEU A 161 35.294 14.180 13.559 1.00 0.00 C ATOM 440 CD2 LEU A 161 34.553 14.049 11.177 1.00 0.00 C ATOM 0 H LEU A 161 36.602 14.069 9.468 1.00 0.00 H new ATOM 0 HA LEU A 161 36.738 15.492 11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 161 36.987 12.623 10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 161 37.503 13.015 12.625 1.00 0.00 H new ATOM 0 HG LEU A 161 35.050 12.365 12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 161 34.253 14.207 13.882 1.00 0.00 H new ATOM 0 HD12 LEU A 161 35.901 13.705 14.330 1.00 0.00 H new ATOM 0 HD13 LEU A 161 35.649 15.197 13.393 1.00 0.00 H new ATOM 0 HD21 LEU A 161 33.512 14.076 11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 161 34.908 15.066 11.010 1.00 0.00 H new ATOM 0 HD23 LEU A 161 34.631 13.481 10.250 1.00 0.00 H new ATOM 452 N LEU A 162 39.602 14.322 10.735 1.00 0.00 N ATOM 453 CA LEU A 162 41.050 14.436 10.873 1.00 0.00 C ATOM 454 C LEU A 162 41.484 15.893 10.755 1.00 0.00 C ATOM 455 O LEU A 162 42.335 16.360 11.511 1.00 0.00 O ATOM 456 CB LEU A 162 41.744 13.606 9.790 1.00 0.00 C ATOM 457 CG LEU A 162 41.528 12.118 10.071 1.00 0.00 C ATOM 458 CD1 LEU A 162 42.047 11.295 8.889 1.00 0.00 C ATOM 459 CD2 LEU A 162 42.289 11.724 11.338 1.00 0.00 C ATOM 0 H LEU A 162 39.293 13.751 9.948 1.00 0.00 H new ATOM 0 HA LEU A 162 41.335 14.061 11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.346 13.863 8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 162 42.810 13.832 9.771 1.00 0.00 H new ATOM 0 HG LEU A 162 40.464 11.925 10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 162 41.893 10.235 9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 162 41.507 11.576 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 162 43.111 11.488 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 162 42.136 10.664 11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 162 43.353 11.917 11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 162 41.921 12.310 12.180 1.00 0.00 H new ATOM 471 N LYS A 163 40.892 16.606 9.802 1.00 0.00 N ATOM 472 CA LYS A 163 41.217 18.012 9.601 1.00 0.00 C ATOM 473 C LYS A 163 40.899 18.820 10.855 1.00 0.00 C ATOM 474 O LYS A 163 41.720 19.608 11.323 1.00 0.00 O ATOM 475 CB LYS A 163 40.421 18.569 8.418 1.00 0.00 C ATOM 476 CG LYS A 163 40.838 20.018 8.159 1.00 0.00 C ATOM 477 CD LYS A 163 40.011 20.587 7.004 1.00 0.00 C ATOM 478 CE LYS A 163 40.450 22.026 6.723 1.00 0.00 C ATOM 479 NZ LYS A 163 39.688 22.558 5.557 1.00 0.00 N ATOM 0 H LYS A 163 40.190 16.236 9.161 1.00 0.00 H new ATOM 0 HA LYS A 163 42.284 18.092 9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 163 40.599 17.964 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 163 39.353 18.519 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 163 40.688 20.617 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 163 41.900 20.065 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 163 40.143 19.975 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 163 38.951 20.561 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 163 40.275 22.649 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 163 41.520 22.058 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 39.985 23.536 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 39.876 21.968 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 38.670 22.541 5.771 1.00 0.00 H new ATOM 493 N LYS A 164 39.702 18.616 11.396 1.00 0.00 N ATOM 494 CA LYS A 164 39.290 19.319 12.604 1.00 0.00 C ATOM 495 C LYS A 164 40.220 18.978 13.764 1.00 0.00 C ATOM 496 O LYS A 164 40.510 19.823 14.610 1.00 0.00 O ATOM 497 CB LYS A 164 37.854 18.938 12.967 1.00 0.00 C ATOM 498 CG LYS A 164 37.228 20.050 13.812 1.00 0.00 C ATOM 499 CD LYS A 164 36.613 21.106 12.891 1.00 0.00 C ATOM 500 CE LYS A 164 35.313 20.568 12.294 1.00 0.00 C ATOM 501 NZ LYS A 164 34.416 21.707 11.948 1.00 0.00 N ATOM 0 H LYS A 164 39.005 17.974 11.019 1.00 0.00 H new ATOM 0 HA LYS A 164 39.342 20.391 12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 164 37.268 18.782 12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.844 17.998 13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 164 36.463 19.635 14.469 1.00 0.00 H new ATOM 0 HG3 LYS A 164 37.985 20.506 14.451 1.00 0.00 H new ATOM 0 HD2 LYS A 164 36.417 22.021 13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 164 37.313 21.361 12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 164 35.527 19.976 11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 164 34.820 19.906 13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 33.531 21.341 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 34.203 22.254 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 34.887 22.322 11.254 1.00 0.00 H new ATOM 515 N LEU A 165 40.684 17.733 13.797 1.00 0.00 N ATOM 516 CA LEU A 165 41.585 17.291 14.853 1.00 0.00 C ATOM 517 C LEU A 165 42.899 18.064 14.792 1.00 0.00 C ATOM 518 O LEU A 165 43.441 18.471 15.821 1.00 0.00 O ATOM 519 CB LEU A 165 41.866 15.794 14.710 1.00 0.00 C ATOM 520 CG LEU A 165 42.818 15.343 15.818 1.00 0.00 C ATOM 521 CD1 LEU A 165 42.184 15.623 17.182 1.00 0.00 C ATOM 522 CD2 LEU A 165 43.085 13.842 15.681 1.00 0.00 C ATOM 0 H LEU A 165 40.452 17.017 13.109 1.00 0.00 H new ATOM 0 HA LEU A 165 41.107 17.480 15.814 1.00 0.00 H new ATOM 0 HB2 LEU A 165 40.934 15.232 14.766 1.00 0.00 H new ATOM 0 HB3 LEU A 165 42.304 15.588 13.734 1.00 0.00 H new ATOM 0 HG LEU A 165 43.757 15.890 15.734 1.00 0.00 H new ATOM 0 HD11 LEU A 165 42.863 15.301 17.972 1.00 0.00 H new ATOM 0 HD12 LEU A 165 41.992 16.691 17.281 1.00 0.00 H new ATOM 0 HD13 LEU A 165 41.245 15.076 17.266 1.00 0.00 H new ATOM 0 HD21 LEU A 165 43.764 13.520 16.471 1.00 0.00 H new ATOM 0 HD22 LEU A 165 42.145 13.296 15.765 1.00 0.00 H new ATOM 0 HD23 LEU A 165 43.536 13.640 14.710 1.00 0.00 H new ATOM 534 N ARG A 166 43.405 18.263 13.580 1.00 0.00 N ATOM 535 CA ARG A 166 44.660 18.983 13.395 1.00 0.00 C ATOM 536 C ARG A 166 44.537 20.414 13.903 1.00 0.00 C ATOM 537 O ARG A 166 45.450 20.937 14.542 1.00 0.00 O ATOM 538 CB ARG A 166 45.038 18.996 11.912 1.00 0.00 C ATOM 539 CG ARG A 166 45.476 17.594 11.482 1.00 0.00 C ATOM 540 CD ARG A 166 46.973 17.425 11.744 1.00 0.00 C ATOM 541 NE ARG A 166 47.742 18.307 10.873 1.00 0.00 N ATOM 542 CZ ARG A 166 49.069 18.340 10.929 1.00 0.00 C ATOM 543 NH1 ARG A 166 49.706 17.575 11.773 1.00 0.00 N ATOM 544 NH2 ARG A 166 49.736 19.137 10.139 1.00 0.00 N ATOM 0 H ARG A 166 42.969 17.939 12.717 1.00 0.00 H new ATOM 0 HA ARG A 166 45.438 18.474 13.965 1.00 0.00 H new ATOM 0 HB2 ARG A 166 44.188 19.322 11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 166 45.844 19.709 11.738 1.00 0.00 H new ATOM 0 HG2 ARG A 166 44.912 16.841 12.032 1.00 0.00 H new ATOM 0 HG3 ARG A 166 45.262 17.443 10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 166 47.194 17.650 12.787 1.00 0.00 H new ATOM 0 HD3 ARG A 166 47.264 16.389 11.573 1.00 0.00 H new ATOM 0 HE ARG A 166 47.253 18.908 10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 166 49.185 16.952 12.390 1.00 0.00 H new ATOM 0 HH12 ARG A 166 50.725 17.600 11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 166 49.238 19.734 9.479 1.00 0.00 H new ATOM 0 HH22 ARG A 166 50.755 19.162 10.182 1.00 0.00 H new ATOM 558 N GLN A 167 43.400 21.043 13.618 1.00 0.00 N ATOM 559 CA GLN A 167 43.168 22.415 14.054 1.00 0.00 C ATOM 560 C GLN A 167 42.770 22.449 15.526 1.00 0.00 C ATOM 561 O GLN A 167 42.870 23.485 16.182 1.00 0.00 O ATOM 562 CB GLN A 167 42.063 23.050 13.209 1.00 0.00 C ATOM 563 CG GLN A 167 41.869 24.508 13.633 1.00 0.00 C ATOM 564 CD GLN A 167 40.861 25.189 12.715 1.00 0.00 C ATOM 565 OE1 GLN A 167 40.563 24.682 11.633 1.00 0.00 O ATOM 566 NE2 GLN A 167 40.314 26.316 13.082 1.00 0.00 N ATOM 0 H GLN A 167 42.631 20.628 13.091 1.00 0.00 H new ATOM 0 HA GLN A 167 44.092 22.979 13.927 1.00 0.00 H new ATOM 0 HB2 GLN A 167 42.324 22.999 12.152 1.00 0.00 H new ATOM 0 HB3 GLN A 167 41.132 22.497 13.334 1.00 0.00 H new ATOM 0 HG2 GLN A 167 41.521 24.552 14.665 1.00 0.00 H new ATOM 0 HG3 GLN A 167 42.822 25.036 13.595 1.00 0.00 H new ATOM 0 HE21 GLN A 167 40.562 26.735 13.978 1.00 0.00 H new ATOM 0 HE22 GLN A 167 39.639 26.778 12.472 1.00 0.00 H new ATOM 575 N SER A 168 42.320 21.308 16.039 1.00 0.00 N ATOM 576 CA SER A 168 41.896 21.223 17.431 1.00 0.00 C ATOM 577 C SER A 168 43.065 21.517 18.365 1.00 0.00 C ATOM 578 O SER A 168 42.895 22.143 19.411 1.00 0.00 O ATOM 579 CB SER A 168 41.343 19.828 17.726 1.00 0.00 C ATOM 580 OG SER A 168 42.423 18.908 17.827 1.00 0.00 O ATOM 0 H SER A 168 42.240 20.436 15.516 1.00 0.00 H new ATOM 0 HA SER A 168 41.115 21.965 17.599 1.00 0.00 H new ATOM 0 HB2 SER A 168 40.771 19.839 18.654 1.00 0.00 H new ATOM 0 HB3 SER A 168 40.660 19.520 16.934 1.00 0.00 H new ATOM 0 HG SER A 168 43.005 18.999 17.044 1.00 0.00 H new ATOM 586 N GLN A 169 44.252 21.061 17.979 1.00 0.00 N ATOM 587 CA GLN A 169 45.444 21.281 18.790 1.00 0.00 C ATOM 588 C GLN A 169 45.752 22.770 18.897 1.00 0.00 C ATOM 589 O GLN A 169 45.545 23.384 19.943 1.00 0.00 O ATOM 590 CB GLN A 169 46.640 20.553 18.171 1.00 0.00 C ATOM 591 CG GLN A 169 46.445 19.041 18.309 1.00 0.00 C ATOM 592 CD GLN A 169 47.615 18.304 17.667 1.00 0.00 C ATOM 593 OE1 GLN A 169 48.773 18.655 17.900 1.00 0.00 O ATOM 594 NE2 GLN A 169 47.382 17.298 16.870 1.00 0.00 N ATOM 0 H GLN A 169 44.414 20.541 17.117 1.00 0.00 H new ATOM 0 HA GLN A 169 45.258 20.888 19.789 1.00 0.00 H new ATOM 0 HB2 GLN A 169 46.739 20.823 17.120 1.00 0.00 H new ATOM 0 HB3 GLN A 169 47.561 20.858 18.667 1.00 0.00 H new ATOM 0 HG2 GLN A 169 46.368 18.771 19.362 1.00 0.00 H new ATOM 0 HG3 GLN A 169 45.511 18.742 17.834 1.00 0.00 H new ATOM 0 HE21 GLN A 169 46.422 17.010 16.679 1.00 0.00 H new ATOM 0 HE22 GLN A 169 48.160 16.799 16.438 1.00 0.00 H new ATOM 823 N ILE B 214 49.669 10.092 16.871 1.00 0.00 N ATOM 824 CA ILE B 214 49.466 11.466 16.427 1.00 0.00 C ATOM 825 C ILE B 214 49.291 11.518 14.913 1.00 0.00 C ATOM 826 O ILE B 214 49.794 10.658 14.190 1.00 0.00 O ATOM 827 CB ILE B 214 50.661 12.330 16.835 1.00 0.00 C ATOM 828 CG1 ILE B 214 50.923 12.161 18.332 1.00 0.00 C ATOM 829 CG2 ILE B 214 50.356 13.798 16.533 1.00 0.00 C ATOM 830 CD1 ILE B 214 49.641 12.462 19.112 1.00 0.00 C ATOM 0 HA ILE B 214 48.563 11.851 16.900 1.00 0.00 H new ATOM 0 HB ILE B 214 51.543 12.020 16.274 1.00 0.00 H new ATOM 0 HG12 ILE B 214 51.258 11.145 18.541 1.00 0.00 H new ATOM 0 HG13 ILE B 214 51.721 12.832 18.650 1.00 0.00 H new ATOM 0 HG21 ILE B 214 51.207 14.414 16.824 1.00 0.00 H new ATOM 0 HG22 ILE B 214 50.168 13.919 15.466 1.00 0.00 H new ATOM 0 HG23 ILE B 214 49.475 14.109 17.094 1.00 0.00 H new ATOM 0 HD11 ILE B 214 49.828 12.342 20.179 1.00 0.00 H new ATOM 0 HD12 ILE B 214 49.325 13.486 18.912 1.00 0.00 H new ATOM 0 HD13 ILE B 214 48.856 11.773 18.801 1.00 0.00 H new ATOM 842 N VAL B 215 48.575 12.532 14.439 1.00 0.00 N ATOM 843 CA VAL B 215 48.341 12.688 13.008 1.00 0.00 C ATOM 844 C VAL B 215 49.524 13.384 12.344 1.00 0.00 C ATOM 845 O VAL B 215 49.965 14.442 12.791 1.00 0.00 O ATOM 846 CB VAL B 215 47.069 13.504 12.773 1.00 0.00 C ATOM 847 CG1 VAL B 215 46.852 13.689 11.270 1.00 0.00 C ATOM 848 CG2 VAL B 215 45.872 12.764 13.373 1.00 0.00 C ATOM 0 H VAL B 215 48.149 13.254 15.020 1.00 0.00 H new ATOM 0 HA VAL B 215 48.224 11.698 12.568 1.00 0.00 H new ATOM 0 HB VAL B 215 47.170 14.480 13.248 1.00 0.00 H new ATOM 0 HG11 VAL B 215 45.945 14.271 11.102 1.00 0.00 H new ATOM 0 HG12 VAL B 215 47.705 14.215 10.841 1.00 0.00 H new ATOM 0 HG13 VAL B 215 46.751 12.714 10.794 1.00 0.00 H new ATOM 0 HG21 VAL B 215 44.965 13.344 13.206 1.00 0.00 H new ATOM 0 HG22 VAL B 215 45.771 11.789 12.897 1.00 0.00 H new ATOM 0 HG23 VAL B 215 46.026 12.631 14.444 1.00 0.00 H new ATOM 858 N THR B 216 50.032 12.782 11.273 1.00 0.00 N ATOM 859 CA THR B 216 51.170 13.350 10.558 1.00 0.00 C ATOM 860 C THR B 216 50.700 14.100 9.316 1.00 0.00 C ATOM 861 O THR B 216 49.615 13.841 8.796 1.00 0.00 O ATOM 862 CB THR B 216 52.138 12.237 10.147 1.00 0.00 C ATOM 863 OG1 THR B 216 51.520 11.410 9.171 1.00 0.00 O ATOM 864 CG2 THR B 216 52.502 11.398 11.373 1.00 0.00 C ATOM 0 H THR B 216 49.677 11.908 10.884 1.00 0.00 H new ATOM 0 HA THR B 216 51.680 14.049 11.221 1.00 0.00 H new ATOM 0 HB THR B 216 53.043 12.678 9.729 1.00 0.00 H new ATOM 0 HG1 THR B 216 52.209 10.926 8.669 1.00 0.00 H new ATOM 0 HG21 THR B 216 53.191 10.606 11.080 1.00 0.00 H new ATOM 0 HG22 THR B 216 52.976 12.033 12.121 1.00 0.00 H new ATOM 0 HG23 THR B 216 51.598 10.956 11.793 1.00 0.00 H new ATOM 872 N ASP B 217 51.524 15.031 8.846 1.00 0.00 N ATOM 873 CA ASP B 217 51.179 15.815 7.665 1.00 0.00 C ATOM 874 C ASP B 217 51.112 14.922 6.430 1.00 0.00 C ATOM 875 O ASP B 217 50.240 15.091 5.577 1.00 0.00 O ATOM 876 CB ASP B 217 52.221 16.914 7.446 1.00 0.00 C ATOM 877 CG ASP B 217 51.712 17.917 6.416 1.00 0.00 C ATOM 878 OD1 ASP B 217 50.676 18.514 6.662 1.00 0.00 O ATOM 879 OD2 ASP B 217 52.365 18.074 5.397 1.00 0.00 O ATOM 0 H ASP B 217 52.428 15.260 9.260 1.00 0.00 H new ATOM 0 HA ASP B 217 50.201 16.268 7.825 1.00 0.00 H new ATOM 0 HB2 ASP B 217 52.430 17.422 8.388 1.00 0.00 H new ATOM 0 HB3 ASP B 217 53.159 16.475 7.106 1.00 0.00 H new ATOM 884 N GLU B 218 52.037 13.972 6.340 1.00 0.00 N ATOM 885 CA GLU B 218 52.075 13.061 5.202 1.00 0.00 C ATOM 886 C GLU B 218 50.819 12.196 5.166 1.00 0.00 C ATOM 887 O GLU B 218 50.110 12.156 4.159 1.00 0.00 O ATOM 888 CB GLU B 218 53.311 12.163 5.293 1.00 0.00 C ATOM 889 CG GLU B 218 53.376 11.258 4.061 1.00 0.00 C ATOM 890 CD GLU B 218 53.673 12.090 2.819 1.00 0.00 C ATOM 891 OE1 GLU B 218 53.972 13.263 2.972 1.00 0.00 O ATOM 892 OE2 GLU B 218 53.598 11.542 1.731 1.00 0.00 O ATOM 0 H GLU B 218 52.765 13.813 7.036 1.00 0.00 H new ATOM 0 HA GLU B 218 52.122 13.653 4.288 1.00 0.00 H new ATOM 0 HB2 GLU B 218 54.212 12.772 5.358 1.00 0.00 H new ATOM 0 HB3 GLU B 218 53.269 11.559 6.199 1.00 0.00 H new ATOM 0 HG2 GLU B 218 54.149 10.501 4.196 1.00 0.00 H new ATOM 0 HG3 GLU B 218 52.431 10.729 3.937 1.00 0.00 H new ATOM 899 N ASP B 219 50.548 11.508 6.269 1.00 0.00 N ATOM 900 CA ASP B 219 49.371 10.648 6.353 1.00 0.00 C ATOM 901 C ASP B 219 48.134 11.384 5.850 1.00 0.00 C ATOM 902 O ASP B 219 47.240 10.780 5.258 1.00 0.00 O ATOM 903 CB ASP B 219 49.152 10.204 7.800 1.00 0.00 C ATOM 904 CG ASP B 219 50.197 9.166 8.192 1.00 0.00 C ATOM 905 OD1 ASP B 219 50.877 8.675 7.306 1.00 0.00 O ATOM 906 OD2 ASP B 219 50.303 8.877 9.373 1.00 0.00 O ATOM 0 H ASP B 219 51.122 11.527 7.112 1.00 0.00 H new ATOM 0 HA ASP B 219 49.537 9.772 5.726 1.00 0.00 H new ATOM 0 HB2 ASP B 219 49.215 11.064 8.466 1.00 0.00 H new ATOM 0 HB3 ASP B 219 48.152 9.786 7.913 1.00 0.00 H new ATOM 911 N ILE B 220 48.088 12.690 6.091 1.00 0.00 N ATOM 912 CA ILE B 220 46.950 13.496 5.663 1.00 0.00 C ATOM 913 C ILE B 220 46.904 13.593 4.140 1.00 0.00 C ATOM 914 O ILE B 220 45.842 13.462 3.533 1.00 0.00 O ATOM 915 CB ILE B 220 47.051 14.900 6.261 1.00 0.00 C ATOM 916 CG1 ILE B 220 46.823 14.825 7.773 1.00 0.00 C ATOM 917 CG2 ILE B 220 45.988 15.801 5.632 1.00 0.00 C ATOM 918 CD1 ILE B 220 45.322 14.817 8.064 1.00 0.00 C ATOM 0 H ILE B 220 48.819 13.210 6.576 1.00 0.00 H new ATOM 0 HA ILE B 220 46.036 13.016 6.014 1.00 0.00 H new ATOM 0 HB ILE B 220 48.040 15.311 6.060 1.00 0.00 H new ATOM 0 HG12 ILE B 220 47.287 13.925 8.177 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.295 15.676 8.265 1.00 0.00 H new ATOM 0 HG21 ILE B 220 46.060 16.801 6.059 1.00 0.00 H new ATOM 0 HG22 ILE B 220 46.146 15.853 4.555 1.00 0.00 H new ATOM 0 HG23 ILE B 220 44.998 15.391 5.834 1.00 0.00 H new ATOM 0 HD11 ILE B 220 45.160 14.764 9.141 1.00 0.00 H new ATOM 0 HD12 ILE B 220 44.871 15.730 7.674 1.00 0.00 H new ATOM 0 HD13 ILE B 220 44.863 13.952 7.585 1.00 0.00 H new ATOM 930 N ARG B 221 48.063 13.823 3.531 1.00 0.00 N ATOM 931 CA ARG B 221 48.141 13.940 2.079 1.00 0.00 C ATOM 932 C ARG B 221 47.740 12.629 1.412 1.00 0.00 C ATOM 933 O ARG B 221 46.994 12.623 0.432 1.00 0.00 O ATOM 934 CB ARG B 221 49.565 14.313 1.663 1.00 0.00 C ATOM 935 CG ARG B 221 49.613 14.533 0.149 1.00 0.00 C ATOM 936 CD ARG B 221 51.022 14.962 -0.261 1.00 0.00 C ATOM 937 NE ARG B 221 51.962 13.865 -0.061 1.00 0.00 N ATOM 938 CZ ARG B 221 53.272 14.050 -0.185 1.00 0.00 C ATOM 939 NH1 ARG B 221 53.737 15.230 -0.491 1.00 0.00 N ATOM 940 NH2 ARG B 221 54.093 13.053 0.000 1.00 0.00 N ATOM 0 H ARG B 221 48.954 13.931 4.015 1.00 0.00 H new ATOM 0 HA ARG B 221 47.452 14.721 1.758 1.00 0.00 H new ATOM 0 HB2 ARG B 221 49.882 15.217 2.183 1.00 0.00 H new ATOM 0 HB3 ARG B 221 50.258 13.521 1.948 1.00 0.00 H new ATOM 0 HG2 ARG B 221 49.335 13.616 -0.371 1.00 0.00 H new ATOM 0 HG3 ARG B 221 48.890 15.296 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG B 221 51.027 15.268 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG B 221 51.332 15.827 0.326 1.00 0.00 H new ATOM 0 HE ARG B 221 51.607 12.939 0.178 1.00 0.00 H new ATOM 0 HH11 ARG B 221 53.095 16.010 -0.635 1.00 0.00 H new ATOM 0 HH12 ARG B 221 54.742 15.373 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG B 221 53.729 12.131 0.240 1.00 0.00 H new ATOM 0 HH22 ARG B 221 55.098 13.196 -0.095 1.00 0.00 H new ATOM 954 N LYS B 222 48.241 11.520 1.946 1.00 0.00 N ATOM 955 CA LYS B 222 47.929 10.208 1.389 1.00 0.00 C ATOM 956 C LYS B 222 46.421 9.977 1.368 1.00 0.00 C ATOM 957 O LYS B 222 45.902 9.285 0.492 1.00 0.00 O ATOM 958 CB LYS B 222 48.603 9.114 2.220 1.00 0.00 C ATOM 959 CG LYS B 222 48.375 7.755 1.555 1.00 0.00 C ATOM 960 CD LYS B 222 49.073 6.664 2.369 1.00 0.00 C ATOM 961 CE LYS B 222 48.864 5.308 1.692 1.00 0.00 C ATOM 962 NZ LYS B 222 49.564 4.249 2.472 1.00 0.00 N ATOM 0 H LYS B 222 48.860 11.502 2.757 1.00 0.00 H new ATOM 0 HA LYS B 222 48.304 10.171 0.366 1.00 0.00 H new ATOM 0 HB2 LYS B 222 49.671 9.314 2.306 1.00 0.00 H new ATOM 0 HB3 LYS B 222 48.197 9.109 3.232 1.00 0.00 H new ATOM 0 HG2 LYS B 222 47.307 7.546 1.487 1.00 0.00 H new ATOM 0 HG3 LYS B 222 48.762 7.767 0.536 1.00 0.00 H new ATOM 0 HD2 LYS B 222 50.138 6.881 2.450 1.00 0.00 H new ATOM 0 HD3 LYS B 222 48.674 6.641 3.383 1.00 0.00 H new ATOM 0 HE2 LYS B 222 47.800 5.083 1.627 1.00 0.00 H new ATOM 0 HE3 LYS B 222 49.247 5.336 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 49.422 3.327 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 50.581 4.463 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 49.178 4.217 3.437 1.00 0.00 H new ATOM 976 N GLN B 223 45.724 10.561 2.337 1.00 0.00 N ATOM 977 CA GLN B 223 44.276 10.408 2.421 1.00 0.00 C ATOM 978 C GLN B 223 43.588 11.216 1.326 1.00 0.00 C ATOM 979 O GLN B 223 42.600 10.771 0.741 1.00 0.00 O ATOM 980 CB GLN B 223 43.780 10.875 3.791 1.00 0.00 C ATOM 981 CG GLN B 223 44.205 9.865 4.860 1.00 0.00 C ATOM 982 CD GLN B 223 43.812 10.373 6.242 1.00 0.00 C ATOM 983 OE1 GLN B 223 43.142 11.400 6.361 1.00 0.00 O ATOM 984 NE2 GLN B 223 44.190 9.712 7.302 1.00 0.00 N ATOM 0 H GLN B 223 46.134 11.140 3.070 1.00 0.00 H new ATOM 0 HA GLN B 223 44.032 9.354 2.287 1.00 0.00 H new ATOM 0 HB2 GLN B 223 44.189 11.859 4.022 1.00 0.00 H new ATOM 0 HB3 GLN B 223 42.695 10.976 3.782 1.00 0.00 H new ATOM 0 HG2 GLN B 223 43.733 8.901 4.670 1.00 0.00 H new ATOM 0 HG3 GLN B 223 45.282 9.706 4.815 1.00 0.00 H new ATOM 0 HE21 GLN B 223 44.745 8.862 7.202 1.00 0.00 H new ATOM 0 HE22 GLN B 223 43.931 10.046 8.230 1.00 0.00 H new ATOM 993 N GLU B 224 44.114 12.406 1.055 1.00 0.00 N ATOM 994 CA GLU B 224 43.544 13.265 0.025 1.00 0.00 C ATOM 995 C GLU B 224 43.805 12.686 -1.362 1.00 0.00 C ATOM 996 O GLU B 224 42.925 12.689 -2.222 1.00 0.00 O ATOM 997 CB GLU B 224 44.152 14.666 0.117 1.00 0.00 C ATOM 998 CG GLU B 224 43.671 15.349 1.399 1.00 0.00 C ATOM 999 CD GLU B 224 42.168 15.599 1.323 1.00 0.00 C ATOM 1000 OE1 GLU B 224 41.640 15.588 0.223 1.00 0.00 O ATOM 1001 OE2 GLU B 224 41.568 15.798 2.366 1.00 0.00 O ATOM 0 H GLU B 224 44.928 12.795 1.531 1.00 0.00 H new ATOM 0 HA GLU B 224 42.467 13.325 0.185 1.00 0.00 H new ATOM 0 HB2 GLU B 224 45.240 14.603 0.113 1.00 0.00 H new ATOM 0 HB3 GLU B 224 43.864 15.257 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU B 224 43.901 14.724 2.262 1.00 0.00 H new ATOM 0 HG3 GLU B 224 44.199 16.293 1.538 1.00 0.00 H new ATOM 1008 N GLU B 225 45.020 12.190 -1.571 1.00 0.00 N ATOM 1009 CA GLU B 225 45.387 11.610 -2.858 1.00 0.00 C ATOM 1010 C GLU B 225 44.549 10.369 -3.147 1.00 0.00 C ATOM 1011 O GLU B 225 44.088 10.166 -4.270 1.00 0.00 O ATOM 1012 CB GLU B 225 46.871 11.238 -2.861 1.00 0.00 C ATOM 1013 CG GLU B 225 47.278 10.769 -4.258 1.00 0.00 C ATOM 1014 CD GLU B 225 48.768 10.445 -4.287 1.00 0.00 C ATOM 1015 OE1 GLU B 225 49.356 10.362 -3.221 1.00 0.00 O ATOM 1016 OE2 GLU B 225 49.298 10.285 -5.373 1.00 0.00 O ATOM 0 H GLU B 225 45.762 12.178 -0.872 1.00 0.00 H new ATOM 0 HA GLU B 225 45.197 12.351 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.473 12.097 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU B 225 47.061 10.450 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU B 225 46.701 9.888 -4.537 1.00 0.00 H new ATOM 0 HG3 GLU B 225 47.052 11.544 -4.991 1.00 0.00 H new ATOM 1023 N ARG B 226 44.354 9.542 -2.125 1.00 0.00 N ATOM 1024 CA ARG B 226 43.572 8.322 -2.281 1.00 0.00 C ATOM 1025 C ARG B 226 42.141 8.651 -2.691 1.00 0.00 C ATOM 1026 O ARG B 226 41.584 8.026 -3.595 1.00 0.00 O ATOM 1027 CB ARG B 226 43.560 7.537 -0.967 1.00 0.00 C ATOM 1028 CG ARG B 226 42.817 6.215 -1.168 1.00 0.00 C ATOM 1029 CD ARG B 226 42.799 5.435 0.148 1.00 0.00 C ATOM 1030 NE ARG B 226 42.260 4.096 -0.066 1.00 0.00 N ATOM 1031 CZ ARG B 226 42.080 3.257 0.948 1.00 0.00 C ATOM 1032 NH1 ARG B 226 42.387 3.626 2.162 1.00 0.00 N ATOM 1033 NH2 ARG B 226 41.597 2.065 0.731 1.00 0.00 N ATOM 0 H ARG B 226 44.724 9.693 -1.187 1.00 0.00 H new ATOM 0 HA ARG B 226 44.032 7.716 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG B 226 44.581 7.346 -0.636 1.00 0.00 H new ATOM 0 HB3 ARG B 226 43.076 8.123 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG B 226 41.798 6.406 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG B 226 43.304 5.626 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG B 226 43.809 5.368 0.553 1.00 0.00 H new ATOM 0 HD3 ARG B 226 42.195 5.965 0.885 1.00 0.00 H new ATOM 0 HE ARG B 226 42.017 3.799 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG B 226 42.765 4.558 2.332 1.00 0.00 H new ATOM 0 HH12 ARG B 226 42.249 2.982 2.941 1.00 0.00 H new ATOM 0 HH21 ARG B 226 41.357 1.777 -0.218 1.00 0.00 H new ATOM 0 HH22 ARG B 226 41.459 1.421 1.510 1.00 0.00 H new ATOM 1047 N VAL B 227 41.550 9.636 -2.023 1.00 0.00 N ATOM 1048 CA VAL B 227 40.181 10.037 -2.325 1.00 0.00 C ATOM 1049 C VAL B 227 40.105 10.688 -3.703 1.00 0.00 C ATOM 1050 O VAL B 227 39.161 10.455 -4.458 1.00 0.00 O ATOM 1051 CB VAL B 227 39.680 11.021 -1.266 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.342 11.613 -1.710 1.00 0.00 C ATOM 1053 CG2 VAL B 227 39.495 10.286 0.064 1.00 0.00 C ATOM 0 H VAL B 227 41.994 10.168 -1.274 1.00 0.00 H new ATOM 0 HA VAL B 227 39.552 9.147 -2.321 1.00 0.00 H new ATOM 0 HB VAL B 227 40.408 11.823 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL B 227 37.986 12.314 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.472 12.136 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL B 227 37.613 10.812 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL B 227 39.138 10.986 0.820 1.00 0.00 H new ATOM 0 HG22 VAL B 227 38.767 9.485 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL B 227 40.448 9.864 0.382 1.00 0.00 H new ATOM 1063 N GLN B 228 41.103 11.505 -4.022 1.00 0.00 N ATOM 1064 CA GLN B 228 41.129 12.198 -5.304 1.00 0.00 C ATOM 1065 C GLN B 228 41.199 11.197 -6.454 1.00 0.00 C ATOM 1066 O GLN B 228 40.540 11.368 -7.479 1.00 0.00 O ATOM 1067 CB GLN B 228 42.338 13.134 -5.368 1.00 0.00 C ATOM 1068 CG GLN B 228 42.294 13.938 -6.669 1.00 0.00 C ATOM 1069 CD GLN B 228 41.065 14.842 -6.683 1.00 0.00 C ATOM 1070 OE1 GLN B 228 40.484 15.085 -7.740 1.00 0.00 O ATOM 1071 NE2 GLN B 228 40.634 15.357 -5.565 1.00 0.00 N ATOM 0 H GLN B 228 41.899 11.702 -3.415 1.00 0.00 H new ATOM 0 HA GLN B 228 40.212 12.780 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN B 228 42.335 13.808 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN B 228 43.261 12.557 -5.316 1.00 0.00 H new ATOM 0 HG2 GLN B 228 43.198 14.539 -6.766 1.00 0.00 H new ATOM 0 HG3 GLN B 228 42.268 13.262 -7.523 1.00 0.00 H new ATOM 0 HE21 GLN B 228 41.117 15.154 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN B 228 39.813 15.963 -5.565 1.00 0.00 H new ATOM 1080 N GLN B 229 42.001 10.153 -6.275 1.00 0.00 N ATOM 1081 CA GLN B 229 42.157 9.136 -7.309 1.00 0.00 C ATOM 1082 C GLN B 229 40.857 8.362 -7.501 1.00 0.00 C ATOM 1083 O GLN B 229 40.465 8.058 -8.627 1.00 0.00 O ATOM 1084 CB GLN B 229 43.278 8.169 -6.925 1.00 0.00 C ATOM 1085 CG GLN B 229 44.628 8.880 -7.036 1.00 0.00 C ATOM 1086 CD GLN B 229 44.902 9.254 -8.488 1.00 0.00 C ATOM 1087 OE1 GLN B 229 44.851 8.398 -9.371 1.00 0.00 O ATOM 1088 NE2 GLN B 229 45.194 10.490 -8.791 1.00 0.00 N ATOM 0 H GLN B 229 42.549 9.989 -5.431 1.00 0.00 H new ATOM 0 HA GLN B 229 42.411 9.633 -8.245 1.00 0.00 H new ATOM 0 HB2 GLN B 229 43.128 7.808 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN B 229 43.260 7.297 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.629 9.776 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN B 229 45.421 8.232 -6.663 1.00 0.00 H new ATOM 0 HE21 GLN B 229 45.236 11.198 -8.058 1.00 0.00 H new ATOM 0 HE22 GLN B 229 45.380 10.747 -9.760 1.00 0.00 H new ATOM 1097 N VAL B 230 40.192 8.046 -6.393 1.00 0.00 N ATOM 1098 CA VAL B 230 38.939 7.303 -6.453 1.00 0.00 C ATOM 1099 C VAL B 230 37.864 8.120 -7.162 1.00 0.00 C ATOM 1100 O VAL B 230 37.104 7.591 -7.973 1.00 0.00 O ATOM 1101 CB VAL B 230 38.470 6.958 -5.039 1.00 0.00 C ATOM 1102 CG1 VAL B 230 37.146 6.195 -5.111 1.00 0.00 C ATOM 1103 CG2 VAL B 230 39.522 6.087 -4.351 1.00 0.00 C ATOM 0 H VAL B 230 40.497 8.291 -5.451 1.00 0.00 H new ATOM 0 HA VAL B 230 39.110 6.384 -7.014 1.00 0.00 H new ATOM 0 HB VAL B 230 38.329 7.877 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL B 230 36.812 5.949 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL B 230 36.395 6.815 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL B 230 37.286 5.276 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL B 230 39.188 5.841 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL B 230 39.663 5.169 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL B 230 40.466 6.630 -4.298 1.00 0.00 H new ATOM 1113 N ARG B 231 37.807 9.411 -6.853 1.00 0.00 N ATOM 1114 CA ARG B 231 36.817 10.290 -7.464 1.00 0.00 C ATOM 1115 C ARG B 231 36.943 10.262 -8.984 1.00 0.00 C ATOM 1116 O ARG B 231 35.941 10.210 -9.699 1.00 0.00 O ATOM 1117 CB ARG B 231 37.007 11.722 -6.960 1.00 0.00 C ATOM 1118 CG ARG B 231 35.910 12.617 -7.540 1.00 0.00 C ATOM 1119 CD ARG B 231 36.108 14.051 -7.047 1.00 0.00 C ATOM 1120 NE ARG B 231 34.994 14.890 -7.475 1.00 0.00 N ATOM 1121 CZ ARG B 231 33.914 15.040 -6.716 1.00 0.00 C ATOM 1122 NH1 ARG B 231 33.838 14.434 -5.562 1.00 0.00 N ATOM 1123 NH2 ARG B 231 32.930 15.796 -7.122 1.00 0.00 N ATOM 0 H ARG B 231 38.430 9.869 -6.188 1.00 0.00 H new ATOM 0 HA ARG B 231 35.824 9.937 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG B 231 36.970 11.743 -5.871 1.00 0.00 H new ATOM 0 HB3 ARG B 231 37.988 12.095 -7.253 1.00 0.00 H new ATOM 0 HG2 ARG B 231 35.940 12.588 -8.629 1.00 0.00 H new ATOM 0 HG3 ARG B 231 34.929 12.250 -7.239 1.00 0.00 H new ATOM 0 HD2 ARG B 231 36.184 14.062 -5.960 1.00 0.00 H new ATOM 0 HD3 ARG B 231 37.044 14.451 -7.436 1.00 0.00 H new ATOM 0 HE ARG B 231 35.045 15.370 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG B 231 34.608 13.846 -5.243 1.00 0.00 H new ATOM 0 HH12 ARG B 231 33.009 14.549 -4.979 1.00 0.00 H new ATOM 0 HH21 ARG B 231 32.990 16.272 -8.022 1.00 0.00 H new ATOM 0 HH22 ARG B 231 32.101 15.911 -6.539 1.00 0.00 H new ATOM 1137 N LYS B 232 38.178 10.297 -9.472 1.00 0.00 N ATOM 1138 CA LYS B 232 38.423 10.272 -10.910 1.00 0.00 C ATOM 1139 C LYS B 232 37.724 9.077 -11.550 1.00 0.00 C ATOM 1140 O LYS B 232 36.958 9.230 -12.501 1.00 0.00 O ATOM 1141 CB LYS B 232 39.925 10.194 -11.183 1.00 0.00 C ATOM 1142 CG LYS B 232 40.578 11.534 -10.836 1.00 0.00 C ATOM 1143 CD LYS B 232 42.082 11.455 -11.106 1.00 0.00 C ATOM 1144 CE LYS B 232 42.730 12.803 -10.783 1.00 0.00 C ATOM 1145 NZ LYS B 232 44.193 12.728 -11.053 1.00 0.00 N ATOM 0 H LYS B 232 39.020 10.342 -8.898 1.00 0.00 H new ATOM 0 HA LYS B 232 38.023 11.188 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.372 9.396 -10.591 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.103 9.951 -12.231 1.00 0.00 H new ATOM 0 HG2 LYS B 232 40.133 12.332 -11.430 1.00 0.00 H new ATOM 0 HG3 LYS B 232 40.398 11.778 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.531 10.669 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.262 11.194 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS B 232 42.278 13.590 -11.387 1.00 0.00 H new ATOM 0 HE3 LYS B 232 42.555 13.062 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 44.717 13.084 -10.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 44.462 11.740 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 44.423 13.307 -11.886 1.00 0.00 H new ATOM 1159 N LYS B 233 37.994 7.888 -11.021 1.00 0.00 N ATOM 1160 CA LYS B 233 37.378 6.674 -11.543 1.00 0.00 C ATOM 1161 C LYS B 233 35.872 6.691 -11.302 1.00 0.00 C ATOM 1162 O LYS B 233 35.116 6.001 -11.987 1.00 0.00 O ATOM 1163 CB LYS B 233 37.991 5.446 -10.868 1.00 0.00 C ATOM 1164 CG LYS B 233 39.454 5.304 -11.293 1.00 0.00 C ATOM 1165 CD LYS B 233 40.069 4.082 -10.608 1.00 0.00 C ATOM 1166 CE LYS B 233 41.530 3.937 -11.039 1.00 0.00 C ATOM 1167 NZ LYS B 233 42.141 2.773 -10.339 1.00 0.00 N ATOM 0 H LYS B 233 38.630 7.740 -10.238 1.00 0.00 H new ATOM 0 HA LYS B 233 37.562 6.628 -12.616 1.00 0.00 H new ATOM 0 HB2 LYS B 233 37.924 5.543 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS B 233 37.433 4.551 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS B 233 39.520 5.199 -12.376 1.00 0.00 H new ATOM 0 HG3 LYS B 233 40.010 6.202 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS B 233 40.007 4.189 -9.525 1.00 0.00 H new ATOM 0 HD3 LYS B 233 39.510 3.184 -10.872 1.00 0.00 H new ATOM 0 HE2 LYS B 233 41.590 3.798 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS B 233 42.082 4.847 -10.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 43.134 2.674 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 42.096 2.924 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 41.620 1.907 -10.585 1.00 0.00 H new ATOM 1181 N LEU B 234 35.443 7.485 -10.327 1.00 0.00 N ATOM 1182 CA LEU B 234 34.026 7.578 -10.000 1.00 0.00 C ATOM 1183 C LEU B 234 33.294 8.431 -11.031 1.00 0.00 C ATOM 1184 O LEU B 234 32.351 7.971 -11.675 1.00 0.00 O ATOM 1185 CB LEU B 234 33.849 8.191 -8.609 1.00 0.00 C ATOM 1186 CG LEU B 234 32.547 7.681 -7.988 1.00 0.00 C ATOM 1187 CD1 LEU B 234 31.391 7.918 -8.960 1.00 0.00 C ATOM 1188 CD2 LEU B 234 32.673 6.183 -7.701 1.00 0.00 C ATOM 0 H LEU B 234 36.051 8.069 -9.753 1.00 0.00 H new ATOM 0 HA LEU B 234 33.603 6.573 -10.010 1.00 0.00 H new ATOM 0 HB2 LEU B 234 34.695 7.928 -7.974 1.00 0.00 H new ATOM 0 HB3 LEU B 234 33.829 9.279 -8.679 1.00 0.00 H new ATOM 0 HG LEU B 234 32.354 8.215 -7.058 1.00 0.00 H new ATOM 0 HD11 LEU B 234 30.463 7.555 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU B 234 31.302 8.985 -9.166 1.00 0.00 H new ATOM 0 HD13 LEU B 234 31.583 7.384 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU B 234 31.746 5.818 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU B 234 32.866 5.649 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU B 234 33.497 6.013 -7.008 1.00 0.00 H new ATOM 1200 N GLU B 235 33.735 9.675 -11.183 1.00 0.00 N ATOM 1201 CA GLU B 235 33.112 10.585 -12.136 1.00 0.00 C ATOM 1202 C GLU B 235 33.308 10.083 -13.562 1.00 0.00 C ATOM 1203 O GLU B 235 32.403 10.168 -14.392 1.00 0.00 O ATOM 1204 CB GLU B 235 33.717 11.984 -11.998 1.00 0.00 C ATOM 1205 CG GLU B 235 33.001 12.948 -12.945 1.00 0.00 C ATOM 1206 CD GLU B 235 33.537 14.362 -12.754 1.00 0.00 C ATOM 1207 OE1 GLU B 235 34.179 14.599 -11.744 1.00 0.00 O ATOM 1208 OE2 GLU B 235 33.297 15.187 -13.620 1.00 0.00 O ATOM 0 H GLU B 235 34.516 10.074 -10.662 1.00 0.00 H new ATOM 0 HA GLU B 235 32.044 10.629 -11.921 1.00 0.00 H new ATOM 0 HB2 GLU B 235 33.623 12.332 -10.969 1.00 0.00 H new ATOM 0 HB3 GLU B 235 34.782 11.955 -12.229 1.00 0.00 H new ATOM 0 HG2 GLU B 235 33.147 12.632 -13.978 1.00 0.00 H new ATOM 0 HG3 GLU B 235 31.928 12.928 -12.754 1.00 0.00 H new ATOM 1215 N GLU B 236 34.498 9.559 -13.839 1.00 0.00 N ATOM 1216 CA GLU B 236 34.807 9.052 -15.171 1.00 0.00 C ATOM 1217 C GLU B 236 33.862 7.914 -15.543 1.00 0.00 C ATOM 1218 O GLU B 236 33.331 7.875 -16.653 1.00 0.00 O ATOM 1219 CB GLU B 236 36.253 8.553 -15.216 1.00 0.00 C ATOM 1220 CG GLU B 236 37.205 9.749 -15.261 1.00 0.00 C ATOM 1221 CD GLU B 236 38.650 9.271 -15.174 1.00 0.00 C ATOM 1222 OE1 GLU B 236 38.851 8.069 -15.104 1.00 0.00 O ATOM 1223 OE2 GLU B 236 39.533 10.111 -15.176 1.00 0.00 O ATOM 0 H GLU B 236 35.259 9.475 -13.165 1.00 0.00 H new ATOM 0 HA GLU B 236 34.680 9.863 -15.888 1.00 0.00 H new ATOM 0 HB2 GLU B 236 36.464 7.939 -14.340 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.404 7.922 -16.092 1.00 0.00 H new ATOM 0 HG2 GLU B 236 37.054 10.310 -16.184 1.00 0.00 H new ATOM 0 HG3 GLU B 236 36.988 10.428 -14.436 1.00 0.00 H new ATOM 1230 N ALA B 237 33.655 6.992 -14.609 1.00 0.00 N ATOM 1231 CA ALA B 237 32.768 5.861 -14.850 1.00 0.00 C ATOM 1232 C ALA B 237 31.343 6.344 -15.101 1.00 0.00 C ATOM 1233 O ALA B 237 30.550 5.662 -15.750 1.00 0.00 O ATOM 1234 CB ALA B 237 32.783 4.917 -13.646 1.00 0.00 C ATOM 0 H ALA B 237 34.086 7.005 -13.685 1.00 0.00 H new ATOM 0 HA ALA B 237 33.122 5.328 -15.733 1.00 0.00 H new ATOM 0 HB1 ALA B 237 32.117 4.075 -13.835 1.00 0.00 H new ATOM 0 HB2 ALA B 237 33.796 4.549 -13.485 1.00 0.00 H new ATOM 0 HB3 ALA B 237 32.446 5.453 -12.759 1.00 0.00 H new ATOM 1240 N LEU B 238 31.025 7.526 -14.583 1.00 0.00 N ATOM 1241 CA LEU B 238 29.693 8.092 -14.755 1.00 0.00 C ATOM 1242 C LEU B 238 29.593 8.828 -16.088 1.00 0.00 C ATOM 1243 O LEU B 238 28.518 8.918 -16.679 1.00 0.00 O ATOM 1244 CB LEU B 238 29.384 9.059 -13.611 1.00 0.00 C ATOM 1245 CG LEU B 238 29.292 8.283 -12.297 1.00 0.00 C ATOM 1246 CD1 LEU B 238 29.177 9.265 -11.130 1.00 0.00 C ATOM 1247 CD2 LEU B 238 28.057 7.380 -12.325 1.00 0.00 C ATOM 0 H LEU B 238 31.667 8.107 -14.044 1.00 0.00 H new ATOM 0 HA LEU B 238 28.968 7.278 -14.747 1.00 0.00 H new ATOM 0 HB2 LEU B 238 30.162 9.819 -13.543 1.00 0.00 H new ATOM 0 HB3 LEU B 238 28.446 9.580 -13.804 1.00 0.00 H new ATOM 0 HG LEU B 238 30.187 7.674 -12.172 1.00 0.00 H new ATOM 0 HD11 LEU B 238 29.111 8.711 -10.194 1.00 0.00 H new ATOM 0 HD12 LEU B 238 30.055 9.910 -11.109 1.00 0.00 H new ATOM 0 HD13 LEU B 238 28.282 9.875 -11.254 1.00 0.00 H new ATOM 0 HD21 LEU B 238 27.990 6.826 -11.389 1.00 0.00 H new ATOM 0 HD22 LEU B 238 27.163 7.990 -12.450 1.00 0.00 H new ATOM 0 HD23 LEU B 238 28.137 6.679 -13.156 1.00 0.00 H new ATOM 1259 N MET B 239 30.723 9.352 -16.554 1.00 0.00 N ATOM 1260 CA MET B 239 30.752 10.078 -17.818 1.00 0.00 C ATOM 1261 C MET B 239 30.873 9.109 -18.989 1.00 0.00 C ATOM 1262 O MET B 239 30.747 9.503 -20.149 1.00 0.00 O ATOM 1263 CB MET B 239 31.931 11.051 -17.834 1.00 0.00 C ATOM 1264 CG MET B 239 31.691 12.164 -16.810 1.00 0.00 C ATOM 1265 SD MET B 239 33.115 13.281 -16.788 1.00 0.00 S ATOM 1266 CE MET B 239 32.877 13.985 -18.437 1.00 0.00 C ATOM 0 H MET B 239 31.624 9.288 -16.079 1.00 0.00 H new ATOM 0 HA MET B 239 29.821 10.635 -17.917 1.00 0.00 H new ATOM 0 HB2 MET B 239 32.855 10.522 -17.602 1.00 0.00 H new ATOM 0 HB3 MET B 239 32.050 11.478 -18.830 1.00 0.00 H new ATOM 0 HG2 MET B 239 30.786 12.716 -17.063 1.00 0.00 H new ATOM 0 HG3 MET B 239 31.537 11.735 -15.820 1.00 0.00 H new ATOM 0 HE1 MET B 239 33.319 14.981 -18.475 1.00 0.00 H new ATOM 0 HE2 MET B 239 33.357 13.346 -19.178 1.00 0.00 H new ATOM 0 HE3 MET B 239 31.811 14.053 -18.653 1.00 0.00 H new