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 Single : A 144 MET CE :methyl -140:sc= -0.22 (180deg=-1.6!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 GLN : amide:sc=-0.00612 K(o=-0.0061,f=-1.5!) 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 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 216 THR OG1 : rot 150:sc= -2.27! USER MOD Single : B 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 223 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.1) USER MOD Single : B 228 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 229 GLN : amide:sc= -0.839 K(o=-0.84,f=-3.7!) USER MOD Single : B 232 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0905) USER MOD Single : B 233 LYS NZ :NH3+ 163:sc= -0.0156 (180deg=-0.401) USER MOD Single : B 239 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 23.307 -4.666 -14.568 1.00 0.00 N ATOM 36 CA GLU A 139 22.953 -4.356 -13.188 1.00 0.00 C ATOM 37 C GLU A 139 24.177 -4.459 -12.285 1.00 0.00 C ATOM 38 O GLU A 139 24.342 -3.671 -11.353 1.00 0.00 O ATOM 39 CB GLU A 139 21.869 -5.318 -12.697 1.00 0.00 C ATOM 40 CG GLU A 139 21.458 -4.940 -11.272 1.00 0.00 C ATOM 41 CD GLU A 139 20.359 -5.876 -10.781 1.00 0.00 C ATOM 42 OE1 GLU A 139 20.134 -6.885 -11.430 1.00 0.00 O ATOM 43 OE2 GLU A 139 19.759 -5.570 -9.765 1.00 0.00 O ATOM 0 HA GLU A 139 22.574 -3.335 -13.151 1.00 0.00 H new ATOM 0 HB2 GLU A 139 21.004 -5.277 -13.359 1.00 0.00 H new ATOM 0 HB3 GLU A 139 22.240 -6.343 -12.720 1.00 0.00 H new ATOM 0 HG2 GLU A 139 22.321 -4.999 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 139 21.107 -3.909 -11.248 1.00 0.00 H new ATOM 50 N GLU A 140 25.034 -5.436 -12.568 1.00 0.00 N ATOM 51 CA GLU A 140 26.241 -5.633 -11.773 1.00 0.00 C ATOM 52 C GLU A 140 27.163 -4.424 -11.889 1.00 0.00 C ATOM 53 O GLU A 140 27.770 -3.998 -10.907 1.00 0.00 O ATOM 54 CB GLU A 140 26.979 -6.887 -12.246 1.00 0.00 C ATOM 55 CG GLU A 140 26.155 -8.128 -11.896 1.00 0.00 C ATOM 56 CD GLU A 140 26.837 -9.377 -12.442 1.00 0.00 C ATOM 57 OE1 GLU A 140 27.891 -9.239 -13.042 1.00 0.00 O ATOM 58 OE2 GLU A 140 26.297 -10.454 -12.252 1.00 0.00 O ATOM 0 H GLU A 140 24.917 -6.098 -13.335 1.00 0.00 H new ATOM 0 HA GLU A 140 25.950 -5.754 -10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 140 27.145 -6.840 -13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 140 27.960 -6.944 -11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 140 26.044 -8.208 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 140 25.152 -8.039 -12.314 1.00 0.00 H new ATOM 65 N ARG A 141 27.262 -3.876 -13.096 1.00 0.00 N ATOM 66 CA ARG A 141 28.111 -2.713 -13.329 1.00 0.00 C ATOM 67 C ARG A 141 27.633 -1.526 -12.500 1.00 0.00 C ATOM 68 O ARG A 141 28.434 -0.827 -11.879 1.00 0.00 O ATOM 69 CB ARG A 141 28.092 -2.342 -14.813 1.00 0.00 C ATOM 70 CG ARG A 141 28.862 -3.395 -15.612 1.00 0.00 C ATOM 71 CD ARG A 141 28.721 -3.106 -17.108 1.00 0.00 C ATOM 72 NE ARG A 141 29.311 -1.811 -17.429 1.00 0.00 N ATOM 73 CZ ARG A 141 29.185 -1.280 -18.641 1.00 0.00 C ATOM 74 NH1 ARG A 141 28.525 -1.918 -19.568 1.00 0.00 N ATOM 75 NH2 ARG A 141 29.724 -0.121 -18.904 1.00 0.00 N ATOM 0 H ARG A 141 26.769 -4.215 -13.922 1.00 0.00 H new ATOM 0 HA ARG A 141 29.129 -2.964 -13.030 1.00 0.00 H new ATOM 0 HB2 ARG A 141 27.064 -2.279 -15.170 1.00 0.00 H new ATOM 0 HB3 ARG A 141 28.541 -1.359 -14.959 1.00 0.00 H new ATOM 0 HG2 ARG A 141 29.914 -3.386 -15.327 1.00 0.00 H new ATOM 0 HG3 ARG A 141 28.479 -4.390 -15.386 1.00 0.00 H new ATOM 0 HD2 ARG A 141 29.211 -3.890 -17.685 1.00 0.00 H new ATOM 0 HD3 ARG A 141 27.668 -3.114 -17.390 1.00 0.00 H new ATOM 0 HE ARG A 141 29.829 -1.304 -16.711 1.00 0.00 H new ATOM 0 HH11 ARG A 141 28.105 -2.825 -19.363 1.00 0.00 H new ATOM 0 HH12 ARG A 141 28.429 -1.510 -20.498 1.00 0.00 H new ATOM 0 HH21 ARG A 141 30.242 0.377 -18.180 1.00 0.00 H new ATOM 0 HH22 ARG A 141 29.628 0.287 -19.834 1.00 0.00 H new ATOM 89 N GLU A 142 26.323 -1.304 -12.494 1.00 0.00 N ATOM 90 CA GLU A 142 25.747 -0.200 -11.735 1.00 0.00 C ATOM 91 C GLU A 142 25.962 -0.410 -10.238 1.00 0.00 C ATOM 92 O GLU A 142 26.135 0.549 -9.486 1.00 0.00 O ATOM 93 CB GLU A 142 24.250 -0.089 -12.027 1.00 0.00 C ATOM 94 CG GLU A 142 24.044 0.356 -13.476 1.00 0.00 C ATOM 95 CD GLU A 142 22.554 0.427 -13.792 1.00 0.00 C ATOM 96 OE1 GLU A 142 21.765 0.165 -12.899 1.00 0.00 O ATOM 97 OE2 GLU A 142 22.224 0.744 -14.924 1.00 0.00 O ATOM 0 H GLU A 142 25.644 -1.870 -13.003 1.00 0.00 H new ATOM 0 HA GLU A 142 26.244 0.722 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 142 23.764 -1.050 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 142 23.788 0.626 -11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 142 24.505 1.331 -13.635 1.00 0.00 H new ATOM 0 HG3 GLU A 142 24.535 -0.343 -14.153 1.00 0.00 H new ATOM 104 N ARG A 143 25.947 -1.669 -9.815 1.00 0.00 N ATOM 105 CA ARG A 143 26.133 -1.993 -8.404 1.00 0.00 C ATOM 106 C ARG A 143 27.477 -1.469 -7.908 1.00 0.00 C ATOM 107 O ARG A 143 27.569 -0.907 -6.816 1.00 0.00 O ATOM 108 CB ARG A 143 26.065 -3.507 -8.202 1.00 0.00 C ATOM 109 CG ARG A 143 26.171 -3.827 -6.710 1.00 0.00 C ATOM 110 CD ARG A 143 26.038 -5.337 -6.501 1.00 0.00 C ATOM 111 NE ARG A 143 26.125 -5.658 -5.081 1.00 0.00 N ATOM 112 CZ ARG A 143 25.983 -6.908 -4.650 1.00 0.00 C ATOM 113 NH1 ARG A 143 25.762 -7.870 -5.502 1.00 0.00 N ATOM 114 NH2 ARG A 143 26.065 -7.170 -3.373 1.00 0.00 N ATOM 0 H ARG A 143 25.809 -2.477 -10.423 1.00 0.00 H new ATOM 0 HA ARG A 143 25.337 -1.516 -7.832 1.00 0.00 H new ATOM 0 HB2 ARG A 143 25.129 -3.897 -8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 143 26.873 -3.994 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 143 27.127 -3.478 -6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 143 25.391 -3.303 -6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 143 25.086 -5.685 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 143 26.824 -5.858 -7.048 1.00 0.00 H new ATOM 0 HE ARG A 143 26.298 -4.912 -4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 143 25.698 -7.664 -6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 143 25.653 -8.829 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 143 26.238 -6.416 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 143 25.956 -8.128 -3.041 1.00 0.00 H new ATOM 128 N MET A 144 28.516 -1.657 -8.715 1.00 0.00 N ATOM 129 CA MET A 144 29.849 -1.196 -8.346 1.00 0.00 C ATOM 130 C MET A 144 29.857 0.317 -8.155 1.00 0.00 C ATOM 131 O MET A 144 30.464 0.831 -7.215 1.00 0.00 O ATOM 132 CB MET A 144 30.856 -1.580 -9.432 1.00 0.00 C ATOM 133 CG MET A 144 31.197 -3.066 -9.309 1.00 0.00 C ATOM 134 SD MET A 144 32.112 -3.350 -7.774 1.00 0.00 S ATOM 135 CE MET A 144 33.592 -2.406 -8.214 1.00 0.00 C ATOM 0 H MET A 144 28.462 -2.121 -9.621 1.00 0.00 H new ATOM 0 HA MET A 144 30.130 -1.672 -7.407 1.00 0.00 H new ATOM 0 HB2 MET A 144 30.441 -1.372 -10.418 1.00 0.00 H new ATOM 0 HB3 MET A 144 31.760 -0.979 -9.333 1.00 0.00 H new ATOM 0 HG2 MET A 144 30.284 -3.661 -9.316 1.00 0.00 H new ATOM 0 HG3 MET A 144 31.792 -3.385 -10.164 1.00 0.00 H new ATOM 0 HE1 MET A 144 34.479 -2.936 -7.866 1.00 0.00 H new ATOM 0 HE2 MET A 144 33.640 -2.289 -9.297 1.00 0.00 H new ATOM 0 HE3 MET A 144 33.550 -1.423 -7.744 1.00 0.00 H new ATOM 145 N ILE A 145 29.178 1.026 -9.051 1.00 0.00 N ATOM 146 CA ILE A 145 29.114 2.480 -8.970 1.00 0.00 C ATOM 147 C ILE A 145 28.425 2.915 -7.681 1.00 0.00 C ATOM 148 O ILE A 145 28.907 3.804 -6.978 1.00 0.00 O ATOM 149 CB ILE A 145 28.351 3.038 -10.172 1.00 0.00 C ATOM 150 CG1 ILE A 145 28.998 2.531 -11.464 1.00 0.00 C ATOM 151 CG2 ILE A 145 28.399 4.566 -10.145 1.00 0.00 C ATOM 152 CD1 ILE A 145 30.487 2.880 -11.461 1.00 0.00 C ATOM 0 H ILE A 145 28.668 0.621 -9.836 1.00 0.00 H new ATOM 0 HA ILE A 145 30.132 2.870 -8.974 1.00 0.00 H new ATOM 0 HB ILE A 145 27.313 2.708 -10.128 1.00 0.00 H new ATOM 0 HG12 ILE A 145 28.867 1.452 -11.550 1.00 0.00 H new ATOM 0 HG13 ILE A 145 28.510 2.981 -12.328 1.00 0.00 H new ATOM 0 HG21 ILE A 145 27.855 4.962 -11.002 1.00 0.00 H new ATOM 0 HG22 ILE A 145 27.940 4.928 -9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 145 29.436 4.898 -10.189 1.00 0.00 H new ATOM 0 HD11 ILE A 145 30.947 2.519 -12.381 1.00 0.00 H new ATOM 0 HD12 ILE A 145 30.607 3.961 -11.395 1.00 0.00 H new ATOM 0 HD13 ILE A 145 30.969 2.409 -10.605 1.00 0.00 H new ATOM 164 N LYS A 146 27.297 2.282 -7.377 1.00 0.00 N ATOM 165 CA LYS A 146 26.555 2.606 -6.163 1.00 0.00 C ATOM 166 C LYS A 146 27.370 2.245 -4.927 1.00 0.00 C ATOM 167 O LYS A 146 27.427 3.009 -3.963 1.00 0.00 O ATOM 168 CB LYS A 146 25.228 1.845 -6.144 1.00 0.00 C ATOM 169 CG LYS A 146 24.426 2.250 -4.905 1.00 0.00 C ATOM 170 CD LYS A 146 23.076 1.529 -4.912 1.00 0.00 C ATOM 171 CE LYS A 146 22.261 1.959 -3.691 1.00 0.00 C ATOM 172 NZ LYS A 146 20.928 1.296 -3.726 1.00 0.00 N ATOM 0 H LYS A 146 26.879 1.548 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 146 26.358 3.678 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 146 24.658 2.064 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 146 25.413 0.771 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 146 24.980 1.997 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 146 24.274 3.329 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 146 22.531 1.763 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 146 23.228 0.450 -4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 146 22.788 1.691 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 146 22.140 3.042 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 20.373 1.588 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 20.425 1.573 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.053 0.264 -3.713 1.00 0.00 H new ATOM 186 N GLN A 147 28.002 1.075 -4.961 1.00 0.00 N ATOM 187 CA GLN A 147 28.805 0.620 -3.832 1.00 0.00 C ATOM 188 C GLN A 147 29.974 1.568 -3.592 1.00 0.00 C ATOM 189 O GLN A 147 30.335 1.846 -2.448 1.00 0.00 O ATOM 190 CB GLN A 147 29.336 -0.789 -4.103 1.00 0.00 C ATOM 191 CG GLN A 147 30.128 -1.280 -2.890 1.00 0.00 C ATOM 192 CD GLN A 147 30.564 -2.726 -3.102 1.00 0.00 C ATOM 193 OE1 GLN A 147 30.007 -3.426 -3.948 1.00 0.00 O ATOM 194 NE2 GLN A 147 31.532 -3.218 -2.379 1.00 0.00 N ATOM 0 H GLN A 147 27.974 0.430 -5.751 1.00 0.00 H new ATOM 0 HA GLN A 147 28.174 0.605 -2.943 1.00 0.00 H new ATOM 0 HB2 GLN A 147 28.508 -1.467 -4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 147 29.972 -0.785 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 147 31.002 -0.647 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 147 29.516 -1.204 -1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 147 31.992 -2.636 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 147 31.829 -4.184 -2.514 1.00 0.00 H new ATOM 203 N LEU A 148 30.560 2.064 -4.677 1.00 0.00 N ATOM 204 CA LEU A 148 31.694 2.976 -4.571 1.00 0.00 C ATOM 205 C LEU A 148 31.279 4.264 -3.869 1.00 0.00 C ATOM 206 O LEU A 148 32.039 4.826 -3.080 1.00 0.00 O ATOM 207 CB LEU A 148 32.232 3.303 -5.966 1.00 0.00 C ATOM 208 CG LEU A 148 33.088 2.140 -6.469 1.00 0.00 C ATOM 209 CD1 LEU A 148 33.440 2.363 -7.940 1.00 0.00 C ATOM 210 CD2 LEU A 148 34.374 2.061 -5.644 1.00 0.00 C ATOM 0 H LEU A 148 30.272 1.852 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 148 32.475 2.491 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 148 31.405 3.483 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 148 32.825 4.217 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 148 32.531 1.209 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 148 34.050 1.534 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 148 32.524 2.420 -8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 148 33.997 3.294 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 148 34.985 1.232 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 148 34.930 2.993 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 148 34.124 1.901 -4.595 1.00 0.00 H new ATOM 222 N LYS A 149 30.067 4.725 -4.160 1.00 0.00 N ATOM 223 CA LYS A 149 29.562 5.953 -3.555 1.00 0.00 C ATOM 224 C LYS A 149 29.467 5.801 -2.041 1.00 0.00 C ATOM 225 O LYS A 149 29.621 6.772 -1.299 1.00 0.00 O ATOM 226 CB LYS A 149 28.181 6.286 -4.125 1.00 0.00 C ATOM 227 CG LYS A 149 28.325 6.743 -5.578 1.00 0.00 C ATOM 228 CD LYS A 149 26.949 7.109 -6.136 1.00 0.00 C ATOM 229 CE LYS A 149 27.097 7.604 -7.576 1.00 0.00 C ATOM 230 NZ LYS A 149 25.756 7.963 -8.117 1.00 0.00 N ATOM 0 H LYS A 149 29.421 4.271 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 149 30.254 6.763 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 149 27.533 5.411 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 149 27.710 7.069 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 149 28.993 7.602 -5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 149 28.773 5.950 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 149 26.290 6.242 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 149 26.489 7.882 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 149 27.758 8.470 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 149 27.555 6.831 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 25.855 8.300 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 25.139 7.126 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 25.336 8.714 -7.533 1.00 0.00 H new ATOM 244 N GLU A 150 29.214 4.577 -1.589 1.00 0.00 N ATOM 245 CA GLU A 150 29.089 4.312 -0.160 1.00 0.00 C ATOM 246 C GLU A 150 30.437 4.477 0.532 1.00 0.00 C ATOM 247 O GLU A 150 30.571 5.259 1.474 1.00 0.00 O ATOM 248 CB GLU A 150 28.567 2.892 0.064 1.00 0.00 C ATOM 249 CG GLU A 150 27.143 2.778 -0.484 1.00 0.00 C ATOM 250 CD GLU A 150 26.211 3.704 0.291 1.00 0.00 C ATOM 251 OE1 GLU A 150 26.573 4.094 1.388 1.00 0.00 O ATOM 252 OE2 GLU A 150 25.149 4.010 -0.226 1.00 0.00 O ATOM 0 H GLU A 150 29.092 3.759 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 150 28.385 5.027 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 150 29.217 2.172 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 150 28.579 2.653 1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 150 27.130 3.038 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 150 26.795 1.748 -0.404 1.00 0.00 H new ATOM 259 N GLU A 151 31.434 3.734 0.060 1.00 0.00 N ATOM 260 CA GLU A 151 32.768 3.806 0.642 1.00 0.00 C ATOM 261 C GLU A 151 33.346 5.208 0.483 1.00 0.00 C ATOM 262 O GLU A 151 34.142 5.659 1.305 1.00 0.00 O ATOM 263 CB GLU A 151 33.690 2.792 -0.037 1.00 0.00 C ATOM 264 CG GLU A 151 35.068 2.829 0.626 1.00 0.00 C ATOM 265 CD GLU A 151 34.965 2.350 2.070 1.00 0.00 C ATOM 266 OE1 GLU A 151 34.014 1.647 2.374 1.00 0.00 O ATOM 267 OE2 GLU A 151 35.839 2.690 2.851 1.00 0.00 O ATOM 0 H GLU A 151 31.344 3.080 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 151 32.694 3.574 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 151 33.265 1.791 0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 151 33.780 3.021 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 151 35.764 2.197 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 151 35.467 3.843 0.598 1.00 0.00 H new ATOM 274 N LEU A 152 32.937 5.893 -0.580 1.00 0.00 N ATOM 275 CA LEU A 152 33.424 7.243 -0.840 1.00 0.00 C ATOM 276 C LEU A 152 33.052 8.176 0.308 1.00 0.00 C ATOM 277 O LEU A 152 33.870 8.976 0.760 1.00 0.00 O ATOM 278 CB LEU A 152 32.826 7.772 -2.145 1.00 0.00 C ATOM 279 CG LEU A 152 33.320 9.198 -2.392 1.00 0.00 C ATOM 280 CD1 LEU A 152 34.849 9.205 -2.457 1.00 0.00 C ATOM 281 CD2 LEU A 152 32.753 9.711 -3.718 1.00 0.00 C ATOM 0 H LEU A 152 32.275 5.539 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 152 34.510 7.207 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 152 33.113 7.128 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 152 31.737 7.757 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 152 32.987 9.843 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 152 35.201 10.221 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 152 35.255 8.839 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 152 35.182 8.560 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 152 33.104 10.727 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 152 33.086 9.065 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 152 31.664 9.706 -3.674 1.00 0.00 H new ATOM 293 N ARG A 153 31.813 8.063 0.776 1.00 0.00 N ATOM 294 CA ARG A 153 31.346 8.898 1.877 1.00 0.00 C ATOM 295 C ARG A 153 32.187 8.653 3.125 1.00 0.00 C ATOM 296 O ARG A 153 32.552 9.591 3.834 1.00 0.00 O ATOM 297 CB ARG A 153 29.877 8.592 2.179 1.00 0.00 C ATOM 298 CG ARG A 153 29.000 9.140 1.052 1.00 0.00 C ATOM 299 CD ARG A 153 27.535 8.801 1.335 1.00 0.00 C ATOM 300 NE ARG A 153 26.682 9.329 0.277 1.00 0.00 N ATOM 301 CZ ARG A 153 26.427 8.619 -0.818 1.00 0.00 C ATOM 302 NH1 ARG A 153 26.943 7.429 -0.959 1.00 0.00 N ATOM 303 NH2 ARG A 153 25.660 9.113 -1.751 1.00 0.00 N ATOM 0 H ARG A 153 31.120 7.408 0.414 1.00 0.00 H new ATOM 0 HA ARG A 153 31.445 9.943 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 153 29.731 7.516 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 153 29.589 9.041 3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 153 29.126 10.220 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 153 29.306 8.711 0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 153 27.412 7.720 1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 153 27.236 9.220 2.296 1.00 0.00 H new ATOM 0 HE ARG A 153 26.274 10.258 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 153 27.542 7.043 -0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 153 26.747 6.885 -1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 153 25.257 10.043 -1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 153 25.464 8.569 -2.591 1.00 0.00 H new ATOM 317 N LEU A 154 32.489 7.385 3.389 1.00 0.00 N ATOM 318 CA LEU A 154 33.291 7.028 4.553 1.00 0.00 C ATOM 319 C LEU A 154 34.708 7.572 4.413 1.00 0.00 C ATOM 320 O LEU A 154 35.294 8.064 5.379 1.00 0.00 O ATOM 321 CB LEU A 154 33.340 5.506 4.707 1.00 0.00 C ATOM 322 CG LEU A 154 31.959 4.989 5.115 1.00 0.00 C ATOM 323 CD1 LEU A 154 31.964 3.460 5.112 1.00 0.00 C ATOM 324 CD2 LEU A 154 31.622 5.494 6.520 1.00 0.00 C ATOM 0 H LEU A 154 32.193 6.594 2.817 1.00 0.00 H new ATOM 0 HA LEU A 154 32.830 7.468 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 154 33.650 5.045 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 154 34.080 5.230 5.458 1.00 0.00 H new ATOM 0 HG LEU A 154 31.212 5.351 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 154 30.980 3.092 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 154 32.205 3.099 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 154 32.710 3.097 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 154 30.638 5.127 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 154 32.369 5.132 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 154 31.618 6.584 6.524 1.00 0.00 H new ATOM 336 N GLU A 155 35.254 7.483 3.205 1.00 0.00 N ATOM 337 CA GLU A 155 36.607 7.965 2.950 1.00 0.00 C ATOM 338 C GLU A 155 36.689 9.469 3.185 1.00 0.00 C ATOM 339 O GLU A 155 37.653 9.965 3.771 1.00 0.00 O ATOM 340 CB GLU A 155 37.012 7.649 1.509 1.00 0.00 C ATOM 341 CG GLU A 155 37.267 6.147 1.369 1.00 0.00 C ATOM 342 CD GLU A 155 37.572 5.803 -0.086 1.00 0.00 C ATOM 343 OE1 GLU A 155 37.558 6.709 -0.902 1.00 0.00 O ATOM 344 OE2 GLU A 155 37.815 4.640 -0.360 1.00 0.00 O ATOM 0 H GLU A 155 34.785 7.084 2.392 1.00 0.00 H new ATOM 0 HA GLU A 155 37.288 7.462 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 155 36.225 7.961 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 155 37.909 8.208 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 155 38.102 5.851 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 155 36.395 5.588 1.708 1.00 0.00 H new ATOM 351 N GLU A 156 35.672 10.192 2.726 1.00 0.00 N ATOM 352 CA GLU A 156 35.641 11.641 2.889 1.00 0.00 C ATOM 353 C GLU A 156 35.336 12.008 4.337 1.00 0.00 C ATOM 354 O GLU A 156 35.954 12.909 4.903 1.00 0.00 O ATOM 355 CB GLU A 156 34.579 12.248 1.970 1.00 0.00 C ATOM 356 CG GLU A 156 34.634 13.774 2.065 1.00 0.00 C ATOM 357 CD GLU A 156 33.597 14.392 1.132 1.00 0.00 C ATOM 358 OE1 GLU A 156 32.758 13.654 0.641 1.00 0.00 O ATOM 359 OE2 GLU A 156 33.657 15.591 0.924 1.00 0.00 O ATOM 0 H GLU A 156 34.864 9.801 2.242 1.00 0.00 H new ATOM 0 HA GLU A 156 36.620 12.040 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 156 34.749 11.931 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 156 33.589 11.891 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 156 34.446 14.090 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 156 35.630 14.128 1.800 1.00 0.00 H new ATOM 366 N ALA A 157 34.377 11.305 4.931 1.00 0.00 N ATOM 367 CA ALA A 157 33.993 11.569 6.313 1.00 0.00 C ATOM 368 C ALA A 157 35.215 11.523 7.224 1.00 0.00 C ATOM 369 O ALA A 157 35.508 12.485 7.934 1.00 0.00 O ATOM 370 CB ALA A 157 32.967 10.533 6.777 1.00 0.00 C ATOM 0 H ALA A 157 33.855 10.553 4.481 1.00 0.00 H new ATOM 0 HA ALA A 157 33.551 12.564 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.685 10.737 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 157 32.083 10.587 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.401 9.535 6.710 1.00 0.00 H new ATOM 376 N LYS A 158 35.924 10.400 7.197 1.00 0.00 N ATOM 377 CA LYS A 158 37.106 10.236 8.035 1.00 0.00 C ATOM 378 C LYS A 158 38.084 11.386 7.811 1.00 0.00 C ATOM 379 O LYS A 158 38.575 11.990 8.764 1.00 0.00 O ATOM 380 CB LYS A 158 37.795 8.908 7.712 1.00 0.00 C ATOM 381 CG LYS A 158 38.632 8.462 8.912 1.00 0.00 C ATOM 382 CD LYS A 158 39.225 7.079 8.636 1.00 0.00 C ATOM 383 CE LYS A 158 40.107 6.656 9.813 1.00 0.00 C ATOM 384 NZ LYS A 158 39.251 6.108 10.903 1.00 0.00 N ATOM 0 H LYS A 158 35.704 9.596 6.609 1.00 0.00 H new ATOM 0 HA LYS A 158 36.792 10.238 9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 158 37.051 8.149 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 158 38.430 9.020 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 158 39.430 9.181 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 158 38.013 8.432 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 158 38.426 6.352 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 158 39.812 7.100 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 158 40.828 5.905 9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 158 40.678 7.509 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 39.850 5.820 11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 38.580 6.838 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 38.725 5.283 10.550 1.00 0.00 H new ATOM 398 N LEU A 159 38.359 11.684 6.545 1.00 0.00 N ATOM 399 CA LEU A 159 39.279 12.763 6.208 1.00 0.00 C ATOM 400 C LEU A 159 38.838 14.066 6.865 1.00 0.00 C ATOM 401 O LEU A 159 39.653 14.795 7.429 1.00 0.00 O ATOM 402 CB LEU A 159 39.335 12.947 4.690 1.00 0.00 C ATOM 403 CG LEU A 159 40.494 12.130 4.118 1.00 0.00 C ATOM 404 CD1 LEU A 159 41.820 12.804 4.473 1.00 0.00 C ATOM 405 CD2 LEU A 159 40.464 10.721 4.713 1.00 0.00 C ATOM 0 H LEU A 159 37.961 11.197 5.742 1.00 0.00 H new ATOM 0 HA LEU A 159 40.270 12.500 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 159 38.395 12.628 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 159 39.464 14.001 4.446 1.00 0.00 H new ATOM 0 HG LEU A 159 40.397 12.071 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 159 42.645 12.221 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 159 41.842 13.809 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 159 41.919 12.864 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 159 41.290 10.137 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 159 40.562 10.782 5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 159 39.519 10.239 4.460 1.00 0.00 H new ATOM 417 N VAL A 160 37.542 14.352 6.789 1.00 0.00 N ATOM 418 CA VAL A 160 36.998 15.558 7.404 1.00 0.00 C ATOM 419 C VAL A 160 37.233 15.541 8.911 1.00 0.00 C ATOM 420 O VAL A 160 37.587 16.558 9.505 1.00 0.00 O ATOM 421 CB VAL A 160 35.499 15.659 7.120 1.00 0.00 C ATOM 422 CG1 VAL A 160 34.886 16.755 7.993 1.00 0.00 C ATOM 423 CG2 VAL A 160 35.282 16.002 5.645 1.00 0.00 C ATOM 0 H VAL A 160 36.853 13.770 6.312 1.00 0.00 H new ATOM 0 HA VAL A 160 37.506 16.423 6.977 1.00 0.00 H new ATOM 0 HB VAL A 160 35.022 14.705 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 160 33.817 16.827 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.040 16.512 9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 160 35.363 17.709 7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 160 34.214 16.074 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 160 35.760 16.955 5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 160 35.718 15.221 5.022 1.00 0.00 H new ATOM 433 N LEU A 161 37.035 14.377 9.522 1.00 0.00 N ATOM 434 CA LEU A 161 37.229 14.239 10.961 1.00 0.00 C ATOM 435 C LEU A 161 38.679 14.532 11.334 1.00 0.00 C ATOM 436 O LEU A 161 38.951 15.191 12.337 1.00 0.00 O ATOM 437 CB LEU A 161 36.863 12.820 11.403 1.00 0.00 C ATOM 438 CG LEU A 161 35.358 12.605 11.234 1.00 0.00 C ATOM 439 CD1 LEU A 161 35.011 11.149 11.549 1.00 0.00 C ATOM 440 CD2 LEU A 161 34.602 13.527 12.193 1.00 0.00 C ATOM 0 H LEU A 161 36.743 13.522 9.048 1.00 0.00 H new ATOM 0 HA LEU A 161 36.582 14.955 11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 161 37.414 12.090 10.811 1.00 0.00 H new ATOM 0 HB3 LEU A 161 37.148 12.667 12.444 1.00 0.00 H new ATOM 0 HG LEU A 161 35.072 12.832 10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 161 33.939 10.996 11.428 1.00 0.00 H new ATOM 0 HD12 LEU A 161 35.550 10.491 10.868 1.00 0.00 H new ATOM 0 HD13 LEU A 161 35.297 10.921 12.576 1.00 0.00 H new ATOM 0 HD21 LEU A 161 33.529 13.375 12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 161 34.889 13.299 13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 161 34.848 14.565 11.970 1.00 0.00 H new ATOM 452 N LEU A 162 39.605 14.038 10.518 1.00 0.00 N ATOM 453 CA LEU A 162 41.025 14.251 10.774 1.00 0.00 C ATOM 454 C LEU A 162 41.343 15.742 10.809 1.00 0.00 C ATOM 455 O LEU A 162 42.180 16.190 11.593 1.00 0.00 O ATOM 456 CB LEU A 162 41.859 13.575 9.683 1.00 0.00 C ATOM 457 CG LEU A 162 42.204 12.148 10.115 1.00 0.00 C ATOM 458 CD1 LEU A 162 40.935 11.292 10.110 1.00 0.00 C ATOM 459 CD2 LEU A 162 43.222 11.554 9.139 1.00 0.00 C ATOM 0 H LEU A 162 39.400 13.492 9.681 1.00 0.00 H new ATOM 0 HA LEU A 162 41.271 13.815 11.742 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.305 13.558 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 162 42.772 14.143 9.504 1.00 0.00 H new ATOM 0 HG LEU A 162 42.627 12.164 11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 162 41.181 10.276 10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 162 40.208 11.715 10.803 1.00 0.00 H new ATOM 0 HD13 LEU A 162 40.512 11.275 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 162 43.469 10.537 9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 162 42.797 11.538 8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 162 44.126 12.163 9.141 1.00 0.00 H new ATOM 471 N LYS A 163 40.669 16.506 9.955 1.00 0.00 N ATOM 472 CA LYS A 163 40.885 17.946 9.898 1.00 0.00 C ATOM 473 C LYS A 163 40.543 18.591 11.238 1.00 0.00 C ATOM 474 O LYS A 163 41.276 19.448 11.731 1.00 0.00 O ATOM 475 CB LYS A 163 40.019 18.561 8.798 1.00 0.00 C ATOM 476 CG LYS A 163 40.345 20.049 8.662 1.00 0.00 C ATOM 477 CD LYS A 163 39.501 20.658 7.542 1.00 0.00 C ATOM 478 CE LYS A 163 39.847 22.140 7.388 1.00 0.00 C ATOM 479 NZ LYS A 163 39.061 22.719 6.263 1.00 0.00 N ATOM 0 H LYS A 163 39.973 16.154 9.297 1.00 0.00 H new ATOM 0 HA LYS A 163 41.936 18.129 9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 163 40.198 18.051 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 163 38.963 18.430 9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 163 40.145 20.563 9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 163 41.405 20.181 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 163 39.686 20.132 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 163 38.441 20.543 7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 163 39.627 22.674 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 163 40.914 22.258 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 39.296 23.727 6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 39.292 22.216 5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 38.045 22.619 6.462 1.00 0.00 H new ATOM 493 N LYS A 164 39.426 18.170 11.823 1.00 0.00 N ATOM 494 CA LYS A 164 38.999 18.709 13.108 1.00 0.00 C ATOM 495 C LYS A 164 40.012 18.363 14.195 1.00 0.00 C ATOM 496 O LYS A 164 40.325 19.191 15.052 1.00 0.00 O ATOM 497 CB LYS A 164 37.629 18.141 13.484 1.00 0.00 C ATOM 498 CG LYS A 164 36.571 18.677 12.518 1.00 0.00 C ATOM 499 CD LYS A 164 35.197 18.136 12.915 1.00 0.00 C ATOM 500 CE LYS A 164 34.137 18.682 11.956 1.00 0.00 C ATOM 501 NZ LYS A 164 32.802 18.135 12.327 1.00 0.00 N ATOM 0 H LYS A 164 38.805 17.463 11.431 1.00 0.00 H new ATOM 0 HA LYS A 164 38.930 19.793 13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 164 37.652 17.052 13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.377 18.419 14.507 1.00 0.00 H new ATOM 0 HG2 LYS A 164 36.564 19.767 12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 164 36.810 18.378 11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 164 35.201 17.046 12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 164 34.961 18.428 13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 164 34.120 19.771 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 164 34.383 18.406 10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 32.081 18.506 11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 32.823 17.097 12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 32.568 18.420 13.300 1.00 0.00 H new ATOM 515 N LEU A 165 40.522 17.136 14.153 1.00 0.00 N ATOM 516 CA LEU A 165 41.497 16.691 15.142 1.00 0.00 C ATOM 517 C LEU A 165 42.760 17.541 15.067 1.00 0.00 C ATOM 518 O LEU A 165 43.321 17.929 16.092 1.00 0.00 O ATOM 519 CB LEU A 165 41.852 15.223 14.898 1.00 0.00 C ATOM 520 CG LEU A 165 40.882 14.326 15.669 1.00 0.00 C ATOM 521 CD1 LEU A 165 39.512 14.356 14.991 1.00 0.00 C ATOM 522 CD2 LEU A 165 41.413 12.892 15.680 1.00 0.00 C ATOM 0 H LEU A 165 40.279 16.437 13.451 1.00 0.00 H new ATOM 0 HA LEU A 165 41.058 16.799 16.134 1.00 0.00 H new ATOM 0 HB2 LEU A 165 41.802 14.998 13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 165 42.876 15.028 15.217 1.00 0.00 H new ATOM 0 HG LEU A 165 40.789 14.687 16.693 1.00 0.00 H new ATOM 0 HD11 LEU A 165 38.820 13.717 15.540 1.00 0.00 H new ATOM 0 HD12 LEU A 165 39.133 15.378 14.982 1.00 0.00 H new ATOM 0 HD13 LEU A 165 39.605 13.995 13.967 1.00 0.00 H new ATOM 0 HD21 LEU A 165 40.722 12.252 16.229 1.00 0.00 H new ATOM 0 HD22 LEU A 165 41.506 12.531 14.656 1.00 0.00 H new ATOM 0 HD23 LEU A 165 42.390 12.869 16.163 1.00 0.00 H new ATOM 534 N ARG A 166 43.202 17.828 13.847 1.00 0.00 N ATOM 535 CA ARG A 166 44.403 18.630 13.649 1.00 0.00 C ATOM 536 C ARG A 166 44.193 20.047 14.173 1.00 0.00 C ATOM 537 O ARG A 166 45.082 20.627 14.798 1.00 0.00 O ATOM 538 CB ARG A 166 44.757 18.680 12.161 1.00 0.00 C ATOM 539 CG ARG A 166 46.065 19.449 11.971 1.00 0.00 C ATOM 540 CD ARG A 166 46.522 19.328 10.517 1.00 0.00 C ATOM 541 NE ARG A 166 47.717 20.135 10.294 1.00 0.00 N ATOM 542 CZ ARG A 166 48.930 19.646 10.531 1.00 0.00 C ATOM 543 NH1 ARG A 166 49.067 18.425 10.972 1.00 0.00 N ATOM 544 NH2 ARG A 166 49.984 20.387 10.324 1.00 0.00 N ATOM 0 H ARG A 166 42.750 17.520 12.986 1.00 0.00 H new ATOM 0 HA ARG A 166 45.222 18.169 14.202 1.00 0.00 H new ATOM 0 HB2 ARG A 166 44.857 17.669 11.766 1.00 0.00 H new ATOM 0 HB3 ARG A 166 43.955 19.162 11.602 1.00 0.00 H new ATOM 0 HG2 ARG A 166 45.924 20.498 12.233 1.00 0.00 H new ATOM 0 HG3 ARG A 166 46.831 19.054 12.638 1.00 0.00 H new ATOM 0 HD2 ARG A 166 46.730 18.285 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 166 45.725 19.654 9.849 1.00 0.00 H new ATOM 0 HE ARG A 166 47.620 21.090 9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 166 48.243 17.846 11.135 1.00 0.00 H new ATOM 0 HH12 ARG A 166 49.998 18.050 11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 166 49.877 21.341 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 166 50.915 20.012 10.506 1.00 0.00 H new ATOM 558 N GLN A 167 43.012 20.598 13.915 1.00 0.00 N ATOM 559 CA GLN A 167 42.696 21.948 14.368 1.00 0.00 C ATOM 560 C GLN A 167 42.839 22.050 15.883 1.00 0.00 C ATOM 561 O GLN A 167 43.090 23.129 16.421 1.00 0.00 O ATOM 562 CB GLN A 167 41.266 22.312 13.962 1.00 0.00 C ATOM 563 CG GLN A 167 40.976 23.762 14.361 1.00 0.00 C ATOM 564 CD GLN A 167 39.547 24.131 13.980 1.00 0.00 C ATOM 565 OE1 GLN A 167 38.595 23.566 14.518 1.00 0.00 O ATOM 566 NE2 GLN A 167 39.338 25.051 13.078 1.00 0.00 N ATOM 0 H GLN A 167 42.263 20.136 13.399 1.00 0.00 H new ATOM 0 HA GLN A 167 43.394 22.643 13.901 1.00 0.00 H new ATOM 0 HB2 GLN A 167 41.139 22.187 12.887 1.00 0.00 H new ATOM 0 HB3 GLN A 167 40.557 21.641 14.447 1.00 0.00 H new ATOM 0 HG2 GLN A 167 41.119 23.888 15.434 1.00 0.00 H new ATOM 0 HG3 GLN A 167 41.678 24.432 13.865 1.00 0.00 H new ATOM 0 HE21 GLN A 167 40.128 25.518 12.633 1.00 0.00 H new ATOM 0 HE22 GLN A 167 38.384 25.303 12.818 1.00 0.00 H new ATOM 575 N SER A 168 42.679 20.922 16.566 1.00 0.00 N ATOM 576 CA SER A 168 42.799 20.897 18.019 1.00 0.00 C ATOM 577 C SER A 168 44.249 21.116 18.439 1.00 0.00 C ATOM 578 O SER A 168 44.547 22.016 19.226 1.00 0.00 O ATOM 579 CB SER A 168 42.307 19.554 18.561 1.00 0.00 C ATOM 580 OG SER A 168 41.946 19.702 19.927 1.00 0.00 O ATOM 0 H SER A 168 42.467 20.019 16.141 1.00 0.00 H new ATOM 0 HA SER A 168 42.187 21.700 18.430 1.00 0.00 H new ATOM 0 HB2 SER A 168 41.451 19.207 17.982 1.00 0.00 H new ATOM 0 HB3 SER A 168 43.087 18.800 18.459 1.00 0.00 H new ATOM 0 HG SER A 168 41.629 18.843 20.276 1.00 0.00 H new ATOM 586 N GLN A 169 45.144 20.290 17.910 1.00 0.00 N ATOM 587 CA GLN A 169 46.560 20.401 18.242 1.00 0.00 C ATOM 588 C GLN A 169 47.070 21.808 17.945 1.00 0.00 C ATOM 589 O GLN A 169 48.089 22.236 18.485 1.00 0.00 O ATOM 590 CB GLN A 169 47.367 19.383 17.434 1.00 0.00 C ATOM 591 CG GLN A 169 47.007 17.968 17.891 1.00 0.00 C ATOM 592 CD GLN A 169 47.740 16.941 17.033 1.00 0.00 C ATOM 593 OE1 GLN A 169 48.590 17.302 16.221 1.00 0.00 O ATOM 594 NE2 GLN A 169 47.458 15.673 17.168 1.00 0.00 N ATOM 0 H GLN A 169 44.918 19.542 17.255 1.00 0.00 H new ATOM 0 HA GLN A 169 46.682 20.199 19.306 1.00 0.00 H new ATOM 0 HB2 GLN A 169 47.157 19.498 16.371 1.00 0.00 H new ATOM 0 HB3 GLN A 169 48.434 19.560 17.569 1.00 0.00 H new ATOM 0 HG2 GLN A 169 47.275 17.836 18.939 1.00 0.00 H new ATOM 0 HG3 GLN A 169 45.930 17.815 17.816 1.00 0.00 H new ATOM 0 HE21 GLN A 169 46.753 15.376 17.842 1.00 0.00 H new ATOM 0 HE22 GLN A 169 47.943 14.979 16.599 1.00 0.00 H new ATOM 823 N ILE B 214 49.240 10.448 16.819 1.00 0.00 N ATOM 824 CA ILE B 214 49.836 11.638 16.222 1.00 0.00 C ATOM 825 C ILE B 214 49.682 11.608 14.705 1.00 0.00 C ATOM 826 O ILE B 214 49.983 10.604 14.060 1.00 0.00 O ATOM 827 CB ILE B 214 51.320 11.717 16.585 1.00 0.00 C ATOM 828 CG1 ILE B 214 51.468 11.782 18.107 1.00 0.00 C ATOM 829 CG2 ILE B 214 51.933 12.972 15.960 1.00 0.00 C ATOM 830 CD1 ILE B 214 51.697 10.375 18.659 1.00 0.00 C ATOM 0 HA ILE B 214 49.320 12.516 16.612 1.00 0.00 H new ATOM 0 HB ILE B 214 51.835 10.834 16.205 1.00 0.00 H new ATOM 0 HG12 ILE B 214 52.303 12.429 18.374 1.00 0.00 H new ATOM 0 HG13 ILE B 214 50.573 12.217 18.552 1.00 0.00 H new ATOM 0 HG21 ILE B 214 52.990 13.028 16.219 1.00 0.00 H new ATOM 0 HG22 ILE B 214 51.827 12.928 14.876 1.00 0.00 H new ATOM 0 HG23 ILE B 214 51.419 13.855 16.339 1.00 0.00 H new ATOM 0 HD11 ILE B 214 51.802 10.422 19.743 1.00 0.00 H new ATOM 0 HD12 ILE B 214 50.847 9.741 18.404 1.00 0.00 H new ATOM 0 HD13 ILE B 214 52.605 9.957 18.224 1.00 0.00 H new ATOM 842 N VAL B 215 49.211 12.716 14.142 1.00 0.00 N ATOM 843 CA VAL B 215 49.025 12.809 12.698 1.00 0.00 C ATOM 844 C VAL B 215 50.095 13.697 12.074 1.00 0.00 C ATOM 845 O VAL B 215 50.389 14.780 12.579 1.00 0.00 O ATOM 846 CB VAL B 215 47.640 13.378 12.387 1.00 0.00 C ATOM 847 CG1 VAL B 215 47.550 13.714 10.897 1.00 0.00 C ATOM 848 CG2 VAL B 215 46.572 12.341 12.740 1.00 0.00 C ATOM 0 H VAL B 215 48.953 13.556 14.659 1.00 0.00 H new ATOM 0 HA VAL B 215 49.110 11.808 12.275 1.00 0.00 H new ATOM 0 HB VAL B 215 47.478 14.282 12.974 1.00 0.00 H new ATOM 0 HG11 VAL B 215 46.563 14.120 10.674 1.00 0.00 H new ATOM 0 HG12 VAL B 215 48.311 14.452 10.644 1.00 0.00 H new ATOM 0 HG13 VAL B 215 47.712 12.810 10.310 1.00 0.00 H new ATOM 0 HG21 VAL B 215 45.584 12.746 12.519 1.00 0.00 H new ATOM 0 HG22 VAL B 215 46.734 11.437 12.152 1.00 0.00 H new ATOM 0 HG23 VAL B 215 46.636 12.100 13.801 1.00 0.00 H new ATOM 858 N THR B 216 50.675 13.231 10.972 1.00 0.00 N ATOM 859 CA THR B 216 51.715 13.992 10.288 1.00 0.00 C ATOM 860 C THR B 216 51.137 14.718 9.077 1.00 0.00 C ATOM 861 O THR B 216 50.074 14.358 8.574 1.00 0.00 O ATOM 862 CB THR B 216 52.836 13.054 9.835 1.00 0.00 C ATOM 863 OG1 THR B 216 52.436 12.378 8.651 1.00 0.00 O ATOM 864 CG2 THR B 216 53.125 12.032 10.936 1.00 0.00 C ATOM 0 H THR B 216 50.445 12.338 10.537 1.00 0.00 H new ATOM 0 HA THR B 216 52.117 14.729 10.983 1.00 0.00 H new ATOM 0 HB THR B 216 53.737 13.634 9.636 1.00 0.00 H new ATOM 0 HG1 THR B 216 53.226 12.177 8.106 1.00 0.00 H new ATOM 0 HG21 THR B 216 53.924 11.364 10.612 1.00 0.00 H new ATOM 0 HG22 THR B 216 53.432 12.552 11.843 1.00 0.00 H new ATOM 0 HG23 THR B 216 52.225 11.450 11.138 1.00 0.00 H new ATOM 872 N ASP B 217 51.845 15.744 8.615 1.00 0.00 N ATOM 873 CA ASP B 217 51.391 16.515 7.463 1.00 0.00 C ATOM 874 C ASP B 217 51.601 15.727 6.174 1.00 0.00 C ATOM 875 O ASP B 217 50.952 15.991 5.162 1.00 0.00 O ATOM 876 CB ASP B 217 52.157 17.837 7.386 1.00 0.00 C ATOM 877 CG ASP B 217 51.750 18.744 8.542 1.00 0.00 C ATOM 878 OD1 ASP B 217 50.725 18.475 9.148 1.00 0.00 O ATOM 879 OD2 ASP B 217 52.468 19.694 8.805 1.00 0.00 O ATOM 0 H ASP B 217 52.728 16.059 9.017 1.00 0.00 H new ATOM 0 HA ASP B 217 50.327 16.718 7.581 1.00 0.00 H new ATOM 0 HB2 ASP B 217 53.230 17.648 7.422 1.00 0.00 H new ATOM 0 HB3 ASP B 217 51.952 18.331 6.436 1.00 0.00 H new ATOM 884 N GLU B 218 52.510 14.759 6.219 1.00 0.00 N ATOM 885 CA GLU B 218 52.804 13.945 5.045 1.00 0.00 C ATOM 886 C GLU B 218 51.850 12.757 4.964 1.00 0.00 C ATOM 887 O GLU B 218 51.697 12.143 3.908 1.00 0.00 O ATOM 888 CB GLU B 218 54.246 13.440 5.108 1.00 0.00 C ATOM 889 CG GLU B 218 54.560 12.631 3.847 1.00 0.00 C ATOM 890 CD GLU B 218 56.032 12.234 3.836 1.00 0.00 C ATOM 891 OE1 GLU B 218 56.675 12.389 4.860 1.00 0.00 O ATOM 892 OE2 GLU B 218 56.495 11.779 2.801 1.00 0.00 O ATOM 0 H GLU B 218 53.052 14.520 7.049 1.00 0.00 H new ATOM 0 HA GLU B 218 52.674 14.562 4.156 1.00 0.00 H new ATOM 0 HB2 GLU B 218 54.934 14.281 5.194 1.00 0.00 H new ATOM 0 HB3 GLU B 218 54.387 12.821 5.994 1.00 0.00 H new ATOM 0 HG2 GLU B 218 53.934 11.739 3.812 1.00 0.00 H new ATOM 0 HG3 GLU B 218 54.327 13.220 2.960 1.00 0.00 H new ATOM 899 N ASP B 219 51.213 12.440 6.085 1.00 0.00 N ATOM 900 CA ASP B 219 50.285 11.315 6.133 1.00 0.00 C ATOM 901 C ASP B 219 48.888 11.753 5.705 1.00 0.00 C ATOM 902 O ASP B 219 48.139 10.978 5.110 1.00 0.00 O ATOM 903 CB ASP B 219 50.231 10.742 7.550 1.00 0.00 C ATOM 904 CG ASP B 219 51.541 10.031 7.875 1.00 0.00 C ATOM 905 OD1 ASP B 219 52.309 9.799 6.957 1.00 0.00 O ATOM 906 OD2 ASP B 219 51.754 9.728 9.037 1.00 0.00 O ATOM 0 H ASP B 219 51.320 12.941 6.967 1.00 0.00 H new ATOM 0 HA ASP B 219 50.639 10.548 5.445 1.00 0.00 H new ATOM 0 HB2 ASP B 219 50.054 11.542 8.268 1.00 0.00 H new ATOM 0 HB3 ASP B 219 49.398 10.045 7.638 1.00 0.00 H new ATOM 911 N ILE B 220 48.543 12.999 6.013 1.00 0.00 N ATOM 912 CA ILE B 220 47.234 13.530 5.652 1.00 0.00 C ATOM 913 C ILE B 220 47.159 13.798 4.153 1.00 0.00 C ATOM 914 O ILE B 220 46.157 13.488 3.507 1.00 0.00 O ATOM 915 CB ILE B 220 46.967 14.827 6.418 1.00 0.00 C ATOM 916 CG1 ILE B 220 46.772 14.510 7.903 1.00 0.00 C ATOM 917 CG2 ILE B 220 45.705 15.494 5.871 1.00 0.00 C ATOM 918 CD1 ILE B 220 46.700 15.815 8.699 1.00 0.00 C ATOM 0 H ILE B 220 49.147 13.655 6.508 1.00 0.00 H new ATOM 0 HA ILE B 220 46.478 12.790 5.915 1.00 0.00 H new ATOM 0 HB ILE B 220 47.815 15.501 6.297 1.00 0.00 H new ATOM 0 HG12 ILE B 220 45.858 13.934 8.046 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.596 13.895 8.266 1.00 0.00 H new ATOM 0 HG21 ILE B 220 45.516 16.418 6.417 1.00 0.00 H new ATOM 0 HG22 ILE B 220 45.842 15.719 4.813 1.00 0.00 H new ATOM 0 HG23 ILE B 220 44.856 14.821 5.992 1.00 0.00 H new ATOM 0 HD11 ILE B 220 46.561 15.589 9.756 1.00 0.00 H new ATOM 0 HD12 ILE B 220 47.626 16.374 8.566 1.00 0.00 H new ATOM 0 HD13 ILE B 220 45.861 16.413 8.343 1.00 0.00 H new ATOM 930 N ARG B 221 48.223 14.376 3.605 1.00 0.00 N ATOM 931 CA ARG B 221 48.267 14.678 2.179 1.00 0.00 C ATOM 932 C ARG B 221 48.129 13.402 1.355 1.00 0.00 C ATOM 933 O ARG B 221 47.315 13.332 0.433 1.00 0.00 O ATOM 934 CB ARG B 221 49.586 15.371 1.833 1.00 0.00 C ATOM 935 CG ARG B 221 49.579 15.774 0.357 1.00 0.00 C ATOM 936 CD ARG B 221 50.931 16.387 -0.012 1.00 0.00 C ATOM 937 NE ARG B 221 51.148 17.619 0.738 1.00 0.00 N ATOM 938 CZ ARG B 221 50.665 18.780 0.307 1.00 0.00 C ATOM 939 NH1 ARG B 221 49.982 18.830 -0.804 1.00 0.00 N ATOM 940 NH2 ARG B 221 50.872 19.869 0.996 1.00 0.00 N ATOM 0 H ARG B 221 49.061 14.643 4.122 1.00 0.00 H new ATOM 0 HA ARG B 221 47.435 15.341 1.942 1.00 0.00 H new ATOM 0 HB2 ARG B 221 49.722 16.252 2.461 1.00 0.00 H new ATOM 0 HB3 ARG B 221 50.424 14.703 2.035 1.00 0.00 H new ATOM 0 HG2 ARG B 221 49.380 14.903 -0.268 1.00 0.00 H new ATOM 0 HG3 ARG B 221 48.779 16.491 0.169 1.00 0.00 H new ATOM 0 HD2 ARG B 221 51.730 15.677 0.201 1.00 0.00 H new ATOM 0 HD3 ARG B 221 50.965 16.593 -1.082 1.00 0.00 H new ATOM 0 HE ARG B 221 51.679 17.589 1.608 1.00 0.00 H new ATOM 0 HH11 ARG B 221 49.819 17.978 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG B 221 49.611 19.721 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG B 221 51.404 19.829 1.865 1.00 0.00 H new ATOM 0 HH22 ARG B 221 50.501 20.760 0.665 1.00 0.00 H new ATOM 954 N LYS B 222 48.928 12.395 1.691 1.00 0.00 N ATOM 955 CA LYS B 222 48.878 11.123 0.981 1.00 0.00 C ATOM 956 C LYS B 222 47.507 10.472 1.142 1.00 0.00 C ATOM 957 O LYS B 222 47.034 9.771 0.248 1.00 0.00 O ATOM 958 CB LYS B 222 49.958 10.182 1.516 1.00 0.00 C ATOM 959 CG LYS B 222 49.985 8.904 0.674 1.00 0.00 C ATOM 960 CD LYS B 222 51.055 7.956 1.218 1.00 0.00 C ATOM 961 CE LYS B 222 51.088 6.682 0.370 1.00 0.00 C ATOM 962 NZ LYS B 222 51.960 6.900 -0.819 1.00 0.00 N ATOM 0 H LYS B 222 49.613 12.434 2.445 1.00 0.00 H new ATOM 0 HA LYS B 222 49.055 11.313 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS B 222 50.931 10.672 1.483 1.00 0.00 H new ATOM 0 HB3 LYS B 222 49.759 9.938 2.560 1.00 0.00 H new ATOM 0 HG2 LYS B 222 49.009 8.420 0.698 1.00 0.00 H new ATOM 0 HG3 LYS B 222 50.195 9.147 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS B 222 52.030 8.443 1.200 1.00 0.00 H new ATOM 0 HD3 LYS B 222 50.842 7.708 2.258 1.00 0.00 H new ATOM 0 HE2 LYS B 222 51.464 5.848 0.962 1.00 0.00 H new ATOM 0 HE3 LYS B 222 50.080 6.418 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 51.983 6.035 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 51.582 7.685 -1.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 52.924 7.132 -0.505 1.00 0.00 H new ATOM 976 N GLN B 223 46.877 10.708 2.287 1.00 0.00 N ATOM 977 CA GLN B 223 45.562 10.135 2.556 1.00 0.00 C ATOM 978 C GLN B 223 44.505 10.776 1.662 1.00 0.00 C ATOM 979 O GLN B 223 43.633 10.092 1.127 1.00 0.00 O ATOM 980 CB GLN B 223 45.189 10.349 4.024 1.00 0.00 C ATOM 981 CG GLN B 223 43.859 9.653 4.320 1.00 0.00 C ATOM 982 CD GLN B 223 44.014 8.144 4.159 1.00 0.00 C ATOM 983 OE1 GLN B 223 45.061 7.588 4.491 1.00 0.00 O ATOM 984 NE2 GLN B 223 43.028 7.445 3.667 1.00 0.00 N ATOM 0 H GLN B 223 47.251 11.287 3.039 1.00 0.00 H new ATOM 0 HA GLN B 223 45.602 9.067 2.344 1.00 0.00 H new ATOM 0 HB2 GLN B 223 45.971 9.951 4.671 1.00 0.00 H new ATOM 0 HB3 GLN B 223 45.109 11.415 4.238 1.00 0.00 H new ATOM 0 HG2 GLN B 223 43.534 9.888 5.334 1.00 0.00 H new ATOM 0 HG3 GLN B 223 43.087 10.022 3.644 1.00 0.00 H new ATOM 0 HE21 GLN B 223 42.162 7.908 3.393 1.00 0.00 H new ATOM 0 HE22 GLN B 223 43.124 6.436 3.557 1.00 0.00 H new ATOM 993 N GLU B 224 44.590 12.093 1.503 1.00 0.00 N ATOM 994 CA GLU B 224 43.639 12.814 0.666 1.00 0.00 C ATOM 995 C GLU B 224 43.880 12.506 -0.808 1.00 0.00 C ATOM 996 O GLU B 224 42.936 12.389 -1.590 1.00 0.00 O ATOM 997 CB GLU B 224 43.773 14.320 0.903 1.00 0.00 C ATOM 998 CG GLU B 224 42.679 15.058 0.127 1.00 0.00 C ATOM 999 CD GLU B 224 42.727 16.548 0.450 1.00 0.00 C ATOM 1000 OE1 GLU B 224 43.698 16.973 1.052 1.00 0.00 O ATOM 1001 OE2 GLU B 224 41.791 17.242 0.089 1.00 0.00 O ATOM 0 H GLU B 224 45.302 12.679 1.939 1.00 0.00 H new ATOM 0 HA GLU B 224 42.632 12.492 0.932 1.00 0.00 H new ATOM 0 HB2 GLU B 224 43.690 14.540 1.967 1.00 0.00 H new ATOM 0 HB3 GLU B 224 44.756 14.663 0.582 1.00 0.00 H new ATOM 0 HG2 GLU B 224 42.814 14.905 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU B 224 41.701 14.652 0.386 1.00 0.00 H new ATOM 1008 N GLU B 225 45.149 12.374 -1.181 1.00 0.00 N ATOM 1009 CA GLU B 225 45.501 12.083 -2.566 1.00 0.00 C ATOM 1010 C GLU B 225 44.875 10.767 -3.012 1.00 0.00 C ATOM 1011 O GLU B 225 44.372 10.655 -4.131 1.00 0.00 O ATOM 1012 CB GLU B 225 47.022 12.002 -2.711 1.00 0.00 C ATOM 1013 CG GLU B 225 47.381 11.734 -4.173 1.00 0.00 C ATOM 1014 CD GLU B 225 48.896 11.751 -4.351 1.00 0.00 C ATOM 1015 OE1 GLU B 225 49.572 12.215 -3.447 1.00 0.00 O ATOM 1016 OE2 GLU B 225 49.358 11.301 -5.386 1.00 0.00 O ATOM 0 H GLU B 225 45.945 12.463 -0.549 1.00 0.00 H new ATOM 0 HA GLU B 225 45.118 12.886 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.480 12.933 -2.378 1.00 0.00 H new ATOM 0 HB3 GLU B 225 47.417 11.208 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU B 225 46.981 10.768 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU B 225 46.923 12.489 -4.812 1.00 0.00 H new ATOM 1023 N ARG B 226 44.909 9.771 -2.132 1.00 0.00 N ATOM 1024 CA ARG B 226 44.339 8.466 -2.446 1.00 0.00 C ATOM 1025 C ARG B 226 42.838 8.582 -2.693 1.00 0.00 C ATOM 1026 O ARG B 226 42.299 7.958 -3.607 1.00 0.00 O ATOM 1027 CB ARG B 226 44.595 7.494 -1.294 1.00 0.00 C ATOM 1028 CG ARG B 226 46.081 7.131 -1.251 1.00 0.00 C ATOM 1029 CD ARG B 226 46.354 6.237 -0.041 1.00 0.00 C ATOM 1030 NE ARG B 226 45.675 4.956 -0.195 1.00 0.00 N ATOM 1031 CZ ARG B 226 45.624 4.081 0.804 1.00 0.00 C ATOM 1032 NH1 ARG B 226 46.187 4.361 1.947 1.00 0.00 N ATOM 1033 NH2 ARG B 226 45.009 2.941 0.641 1.00 0.00 N ATOM 0 H ARG B 226 45.322 9.842 -1.202 1.00 0.00 H new ATOM 0 HA ARG B 226 44.816 8.090 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG B 226 44.293 7.946 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG B 226 43.994 6.594 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG B 226 46.367 6.616 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG B 226 46.686 8.036 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG B 226 47.427 6.077 0.067 1.00 0.00 H new ATOM 0 HD3 ARG B 226 46.012 6.730 0.869 1.00 0.00 H new ATOM 0 HE ARG B 226 45.232 4.727 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG B 226 46.667 5.252 2.074 1.00 0.00 H new ATOM 0 HH12 ARG B 226 46.147 3.689 2.713 1.00 0.00 H new ATOM 0 HH21 ARG B 226 44.568 2.723 -0.253 1.00 0.00 H new ATOM 0 HH22 ARG B 226 44.969 2.269 1.407 1.00 0.00 H new ATOM 1047 N VAL B 227 42.169 9.384 -1.871 1.00 0.00 N ATOM 1048 CA VAL B 227 40.730 9.579 -2.013 1.00 0.00 C ATOM 1049 C VAL B 227 40.411 10.281 -3.329 1.00 0.00 C ATOM 1050 O VAL B 227 39.457 9.924 -4.019 1.00 0.00 O ATOM 1051 CB VAL B 227 40.198 10.411 -0.845 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.717 10.718 -1.069 1.00 0.00 C ATOM 1053 CG2 VAL B 227 40.364 9.624 0.456 1.00 0.00 C ATOM 0 H VAL B 227 42.596 9.906 -1.105 1.00 0.00 H new ATOM 0 HA VAL B 227 40.248 8.601 -2.011 1.00 0.00 H new ATOM 0 HB VAL B 227 40.756 11.345 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL B 227 38.338 11.311 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.598 11.278 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL B 227 38.158 9.785 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL B 227 39.985 10.215 1.290 1.00 0.00 H new ATOM 0 HG22 VAL B 227 39.805 8.690 0.390 1.00 0.00 H new ATOM 0 HG23 VAL B 227 41.420 9.405 0.616 1.00 0.00 H new ATOM 1063 N GLN B 228 41.216 11.284 -3.669 1.00 0.00 N ATOM 1064 CA GLN B 228 41.007 12.032 -4.904 1.00 0.00 C ATOM 1065 C GLN B 228 41.028 11.095 -6.108 1.00 0.00 C ATOM 1066 O GLN B 228 40.253 11.262 -7.049 1.00 0.00 O ATOM 1067 CB GLN B 228 42.097 13.094 -5.061 1.00 0.00 C ATOM 1068 CG GLN B 228 41.857 13.885 -6.348 1.00 0.00 C ATOM 1069 CD GLN B 228 42.897 14.993 -6.480 1.00 0.00 C ATOM 1070 OE1 GLN B 228 43.590 15.313 -5.514 1.00 0.00 O ATOM 1071 NE2 GLN B 228 43.048 15.601 -7.625 1.00 0.00 N ATOM 0 H GLN B 228 42.012 11.595 -3.112 1.00 0.00 H new ATOM 0 HA GLN B 228 40.032 12.517 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN B 228 42.092 13.766 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN B 228 43.079 12.621 -5.090 1.00 0.00 H new ATOM 0 HG2 GLN B 228 41.911 13.219 -7.209 1.00 0.00 H new ATOM 0 HG3 GLN B 228 40.855 14.314 -6.340 1.00 0.00 H new ATOM 0 HE21 GLN B 228 42.473 15.334 -8.424 1.00 0.00 H new ATOM 0 HE22 GLN B 228 43.741 16.343 -7.721 1.00 0.00 H new ATOM 1080 N GLN B 229 41.921 10.112 -6.070 1.00 0.00 N ATOM 1081 CA GLN B 229 42.036 9.155 -7.166 1.00 0.00 C ATOM 1082 C GLN B 229 40.740 8.366 -7.328 1.00 0.00 C ATOM 1083 O GLN B 229 40.325 8.059 -8.445 1.00 0.00 O ATOM 1084 CB GLN B 229 43.194 8.192 -6.899 1.00 0.00 C ATOM 1085 CG GLN B 229 44.517 8.960 -6.931 1.00 0.00 C ATOM 1086 CD GLN B 229 44.766 9.509 -8.331 1.00 0.00 C ATOM 1087 OE1 GLN B 229 44.258 10.576 -8.680 1.00 0.00 O ATOM 1088 NE2 GLN B 229 45.522 8.842 -9.159 1.00 0.00 N ATOM 0 H GLN B 229 42.571 9.957 -5.299 1.00 0.00 H new ATOM 0 HA GLN B 229 42.228 9.707 -8.086 1.00 0.00 H new ATOM 0 HB2 GLN B 229 43.064 7.711 -5.929 1.00 0.00 H new ATOM 0 HB3 GLN B 229 43.203 7.401 -7.649 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.490 9.777 -6.210 1.00 0.00 H new ATOM 0 HG3 GLN B 229 45.336 8.303 -6.638 1.00 0.00 H new ATOM 0 HE21 GLN B 229 45.942 7.959 -8.868 1.00 0.00 H new ATOM 0 HE22 GLN B 229 45.694 9.204 -10.097 1.00 0.00 H new ATOM 1097 N VAL B 230 40.107 8.042 -6.205 1.00 0.00 N ATOM 1098 CA VAL B 230 38.856 7.292 -6.236 1.00 0.00 C ATOM 1099 C VAL B 230 37.774 8.085 -6.962 1.00 0.00 C ATOM 1100 O VAL B 230 37.030 7.537 -7.774 1.00 0.00 O ATOM 1101 CB VAL B 230 38.396 6.985 -4.809 1.00 0.00 C ATOM 1102 CG1 VAL B 230 36.988 6.391 -4.844 1.00 0.00 C ATOM 1103 CG2 VAL B 230 39.358 5.980 -4.171 1.00 0.00 C ATOM 0 H VAL B 230 40.436 8.284 -5.270 1.00 0.00 H new ATOM 0 HA VAL B 230 39.027 6.358 -6.771 1.00 0.00 H new ATOM 0 HB VAL B 230 38.387 7.904 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL B 230 36.660 6.172 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL B 230 36.303 7.105 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL B 230 36.996 5.471 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL B 230 39.032 5.760 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL B 230 39.365 5.061 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL B 230 40.362 6.403 -4.147 1.00 0.00 H new ATOM 1113 N ARG B 231 37.693 9.377 -6.664 1.00 0.00 N ATOM 1114 CA ARG B 231 36.696 10.235 -7.294 1.00 0.00 C ATOM 1115 C ARG B 231 36.832 10.188 -8.813 1.00 0.00 C ATOM 1116 O ARG B 231 35.835 10.151 -9.533 1.00 0.00 O ATOM 1117 CB ARG B 231 36.865 11.676 -6.809 1.00 0.00 C ATOM 1118 CG ARG B 231 35.755 12.548 -7.400 1.00 0.00 C ATOM 1119 CD ARG B 231 35.949 13.997 -6.951 1.00 0.00 C ATOM 1120 NE ARG B 231 34.915 14.848 -7.529 1.00 0.00 N ATOM 1121 CZ ARG B 231 33.753 15.030 -6.912 1.00 0.00 C ATOM 1122 NH1 ARG B 231 33.522 14.446 -5.768 1.00 0.00 N ATOM 1123 NH2 ARG B 231 32.841 15.794 -7.450 1.00 0.00 N ATOM 0 H ARG B 231 38.301 9.851 -5.995 1.00 0.00 H new ATOM 0 HA ARG B 231 35.706 9.873 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG B 231 36.828 11.711 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG B 231 37.841 12.059 -7.108 1.00 0.00 H new ATOM 0 HG2 ARG B 231 35.772 12.488 -8.488 1.00 0.00 H new ATOM 0 HG3 ARG B 231 34.780 12.183 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG B 231 35.912 14.056 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG B 231 36.934 14.351 -7.256 1.00 0.00 H new ATOM 0 HE ARG B 231 35.087 15.311 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG B 231 34.234 13.849 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG B 231 32.629 14.586 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG B 231 33.021 16.251 -8.344 1.00 0.00 H new ATOM 0 HH22 ARG B 231 31.949 15.934 -6.976 1.00 0.00 H new ATOM 1137 N LYS B 232 38.073 10.191 -9.291 1.00 0.00 N ATOM 1138 CA LYS B 232 38.327 10.144 -10.726 1.00 0.00 C ATOM 1139 C LYS B 232 37.631 8.941 -11.353 1.00 0.00 C ATOM 1140 O LYS B 232 36.856 9.083 -12.299 1.00 0.00 O ATOM 1141 CB LYS B 232 39.832 10.059 -10.988 1.00 0.00 C ATOM 1142 CG LYS B 232 40.494 11.380 -10.590 1.00 0.00 C ATOM 1143 CD LYS B 232 42.003 11.285 -10.826 1.00 0.00 C ATOM 1144 CE LYS B 232 42.671 12.593 -10.393 1.00 0.00 C ATOM 1145 NZ LYS B 232 42.377 13.655 -11.397 1.00 0.00 N ATOM 0 H LYS B 232 38.911 10.225 -8.711 1.00 0.00 H new ATOM 0 HA LYS B 232 37.931 11.054 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.265 9.237 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.017 9.850 -12.042 1.00 0.00 H new ATOM 0 HG2 LYS B 232 40.075 12.200 -11.173 1.00 0.00 H new ATOM 0 HG3 LYS B 232 40.292 11.599 -9.542 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.418 10.449 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.206 11.092 -11.879 1.00 0.00 H new ATOM 0 HE2 LYS B 232 42.305 12.894 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS B 232 43.748 12.451 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 42.962 14.492 -11.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 42.592 13.300 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 41.372 13.915 -11.343 1.00 0.00 H new ATOM 1159 N LYS B 233 37.912 7.757 -10.818 1.00 0.00 N ATOM 1160 CA LYS B 233 37.309 6.534 -11.336 1.00 0.00 C ATOM 1161 C LYS B 233 35.787 6.614 -11.259 1.00 0.00 C ATOM 1162 O LYS B 233 35.081 5.884 -11.955 1.00 0.00 O ATOM 1163 CB LYS B 233 37.799 5.328 -10.532 1.00 0.00 C ATOM 1164 CG LYS B 233 39.287 5.102 -10.806 1.00 0.00 C ATOM 1165 CD LYS B 233 39.775 3.889 -10.012 1.00 0.00 C ATOM 1166 CE LYS B 233 41.243 3.616 -10.346 1.00 0.00 C ATOM 1167 NZ LYS B 233 42.079 4.758 -9.879 1.00 0.00 N ATOM 0 H LYS B 233 38.548 7.619 -10.033 1.00 0.00 H new ATOM 0 HA LYS B 233 37.604 6.419 -12.379 1.00 0.00 H new ATOM 0 HB2 LYS B 233 37.636 5.497 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS B 233 37.229 4.440 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS B 233 39.451 4.942 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS B 233 39.858 5.987 -10.525 1.00 0.00 H new ATOM 0 HD2 LYS B 233 39.662 4.071 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS B 233 39.168 3.016 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS B 233 41.570 2.693 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS B 233 41.363 3.479 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 43.076 4.464 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 41.980 5.554 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 41.765 5.054 -8.933 1.00 0.00 H new ATOM 1181 N LEU B 234 35.289 7.506 -10.409 1.00 0.00 N ATOM 1182 CA LEU B 234 33.849 7.668 -10.244 1.00 0.00 C ATOM 1183 C LEU B 234 33.282 8.563 -11.340 1.00 0.00 C ATOM 1184 O LEU B 234 32.326 8.195 -12.023 1.00 0.00 O ATOM 1185 CB LEU B 234 33.546 8.280 -8.875 1.00 0.00 C ATOM 1186 CG LEU B 234 33.126 7.176 -7.904 1.00 0.00 C ATOM 1187 CD1 LEU B 234 31.765 6.618 -8.322 1.00 0.00 C ATOM 1188 CD2 LEU B 234 34.165 6.052 -7.931 1.00 0.00 C ATOM 0 H LEU B 234 35.856 8.123 -9.828 1.00 0.00 H new ATOM 0 HA LEU B 234 33.381 6.686 -10.314 1.00 0.00 H new ATOM 0 HB2 LEU B 234 34.426 8.799 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU B 234 32.752 9.022 -8.964 1.00 0.00 H new ATOM 0 HG LEU B 234 33.057 7.586 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU B 234 31.466 5.831 -7.630 1.00 0.00 H new ATOM 0 HD12 LEU B 234 31.024 7.417 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU B 234 31.834 6.208 -9.330 1.00 0.00 H new ATOM 0 HD21 LEU B 234 33.867 5.264 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU B 234 34.233 5.643 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU B 234 35.136 6.447 -7.634 1.00 0.00 H new ATOM 1200 N GLU B 235 33.879 9.740 -11.505 1.00 0.00 N ATOM 1201 CA GLU B 235 33.428 10.677 -12.527 1.00 0.00 C ATOM 1202 C GLU B 235 33.692 10.115 -13.920 1.00 0.00 C ATOM 1203 O GLU B 235 32.897 10.308 -14.839 1.00 0.00 O ATOM 1204 CB GLU B 235 34.156 12.014 -12.368 1.00 0.00 C ATOM 1205 CG GLU B 235 33.693 12.696 -11.080 1.00 0.00 C ATOM 1206 CD GLU B 235 34.466 13.995 -10.871 1.00 0.00 C ATOM 1207 OE1 GLU B 235 35.262 14.331 -11.732 1.00 0.00 O ATOM 1208 OE2 GLU B 235 34.250 14.632 -9.854 1.00 0.00 O ATOM 0 H GLU B 235 34.670 10.065 -10.949 1.00 0.00 H new ATOM 0 HA GLU B 235 32.356 10.831 -12.406 1.00 0.00 H new ATOM 0 HB2 GLU B 235 35.234 11.852 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU B 235 33.952 12.655 -13.225 1.00 0.00 H new ATOM 0 HG2 GLU B 235 32.624 12.903 -11.132 1.00 0.00 H new ATOM 0 HG3 GLU B 235 33.847 12.031 -10.231 1.00 0.00 H new ATOM 1215 N GLU B 236 34.814 9.418 -14.068 1.00 0.00 N ATOM 1216 CA GLU B 236 35.177 8.836 -15.354 1.00 0.00 C ATOM 1217 C GLU B 236 34.162 7.773 -15.766 1.00 0.00 C ATOM 1218 O GLU B 236 33.691 7.759 -16.903 1.00 0.00 O ATOM 1219 CB GLU B 236 36.570 8.210 -15.271 1.00 0.00 C ATOM 1220 CG GLU B 236 37.622 9.316 -15.176 1.00 0.00 C ATOM 1221 CD GLU B 236 39.005 8.705 -14.981 1.00 0.00 C ATOM 1222 OE1 GLU B 236 39.091 7.490 -14.912 1.00 0.00 O ATOM 1223 OE2 GLU B 236 39.960 9.461 -14.904 1.00 0.00 O ATOM 0 H GLU B 236 35.483 9.243 -13.318 1.00 0.00 H new ATOM 0 HA GLU B 236 35.181 9.629 -16.102 1.00 0.00 H new ATOM 0 HB2 GLU B 236 36.635 7.556 -14.401 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.755 7.592 -16.149 1.00 0.00 H new ATOM 0 HG2 GLU B 236 37.608 9.922 -16.082 1.00 0.00 H new ATOM 0 HG3 GLU B 236 37.389 9.981 -14.344 1.00 0.00 H new ATOM 1230 N ALA B 237 33.832 6.885 -14.835 1.00 0.00 N ATOM 1231 CA ALA B 237 32.874 5.821 -15.114 1.00 0.00 C ATOM 1232 C ALA B 237 31.523 6.408 -15.506 1.00 0.00 C ATOM 1233 O ALA B 237 30.715 5.749 -16.161 1.00 0.00 O ATOM 1234 CB ALA B 237 32.708 4.930 -13.881 1.00 0.00 C ATOM 0 H ALA B 237 34.210 6.880 -13.888 1.00 0.00 H new ATOM 0 HA ALA B 237 33.253 5.224 -15.944 1.00 0.00 H new ATOM 0 HB1 ALA B 237 31.991 4.138 -14.098 1.00 0.00 H new ATOM 0 HB2 ALA B 237 33.669 4.487 -13.620 1.00 0.00 H new ATOM 0 HB3 ALA B 237 32.345 5.529 -13.046 1.00 0.00 H new ATOM 1240 N LEU B 238 31.285 7.651 -15.103 1.00 0.00 N ATOM 1241 CA LEU B 238 30.025 8.317 -15.414 1.00 0.00 C ATOM 1242 C LEU B 238 30.157 9.143 -16.688 1.00 0.00 C ATOM 1243 O LEU B 238 29.176 9.370 -17.396 1.00 0.00 O ATOM 1244 CB LEU B 238 29.615 9.226 -14.253 1.00 0.00 C ATOM 1245 CG LEU B 238 28.745 8.441 -13.272 1.00 0.00 C ATOM 1246 CD1 LEU B 238 27.388 8.144 -13.916 1.00 0.00 C ATOM 1247 CD2 LEU B 238 29.438 7.124 -12.919 1.00 0.00 C ATOM 0 H LEU B 238 31.942 8.215 -14.564 1.00 0.00 H new ATOM 0 HA LEU B 238 29.260 7.556 -15.566 1.00 0.00 H new ATOM 0 HB2 LEU B 238 30.501 9.607 -13.745 1.00 0.00 H new ATOM 0 HB3 LEU B 238 29.068 10.090 -14.630 1.00 0.00 H new ATOM 0 HG LEU B 238 28.597 9.030 -12.367 1.00 0.00 H new ATOM 0 HD11 LEU B 238 26.768 7.584 -13.216 1.00 0.00 H new ATOM 0 HD12 LEU B 238 26.893 9.081 -14.170 1.00 0.00 H new ATOM 0 HD13 LEU B 238 27.536 7.555 -14.821 1.00 0.00 H new ATOM 0 HD21 LEU B 238 28.819 6.563 -12.219 1.00 0.00 H new ATOM 0 HD22 LEU B 238 29.585 6.536 -13.825 1.00 0.00 H new ATOM 0 HD23 LEU B 238 30.405 7.333 -12.461 1.00 0.00 H new ATOM 1259 N MET B 239 31.376 9.590 -16.973 1.00 0.00 N ATOM 1260 CA MET B 239 31.626 10.391 -18.167 1.00 0.00 C ATOM 1261 C MET B 239 32.059 9.501 -19.328 1.00 0.00 C ATOM 1262 O MET B 239 32.000 9.906 -20.488 1.00 0.00 O ATOM 1263 CB MET B 239 32.715 11.426 -17.882 1.00 0.00 C ATOM 1264 CG MET B 239 32.851 12.368 -19.079 1.00 0.00 C ATOM 1265 SD MET B 239 34.073 13.650 -18.704 1.00 0.00 S ATOM 1266 CE MET B 239 32.905 14.929 -18.180 1.00 0.00 C ATOM 0 H MET B 239 32.200 9.413 -16.399 1.00 0.00 H new ATOM 0 HA MET B 239 30.702 10.901 -18.440 1.00 0.00 H new ATOM 0 HB2 MET B 239 32.466 11.994 -16.986 1.00 0.00 H new ATOM 0 HB3 MET B 239 33.664 10.927 -17.689 1.00 0.00 H new ATOM 0 HG2 MET B 239 33.156 11.808 -19.963 1.00 0.00 H new ATOM 0 HG3 MET B 239 31.888 12.825 -19.307 1.00 0.00 H new ATOM 0 HE1 MET B 239 33.453 15.828 -17.898 1.00 0.00 H new ATOM 0 HE2 MET B 239 32.226 15.160 -19.001 1.00 0.00 H new ATOM 0 HE3 MET B 239 32.332 14.570 -17.325 1.00 0.00 H new