USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 THR OG1 : rot 180:sc= -0.0619 USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= -0.883 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 143:sc= -2.45 (180deg=-5.29!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0272) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 173:sc= -1.43 (180deg=-1.54) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -162:sc= -2.25 (180deg=-3.56) USER MOD Single : A 113 MET CE :methyl -135:sc= -0.031 (180deg=-1.63!) USER MOD Single : A 114 THR OG1 : rot 78:sc= 0.846 USER MOD Single : A 116 CYS SG : rot 73:sc= 0.461 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.199 K(o=0.2,f=-6.1!) USER MOD Single : A 124 HIS : no HD1:sc= 0.558 K(o=1.5,f=-8.4!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 172 ASN : amide:sc= -0.0917 X(o=-0.092,f=0) USER MOD Single : A 176 HIS : no HE2:sc= -0.707 X(o=-0.71,f=-0.75) USER MOD Single : A 179 THR OG1 : rot -81:sc= -0.793 USER MOD Single : A 183 GLN : amide:sc= -1.8 K(o=-1.8,f=-3!) USER MOD Single : A 188 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N MET A 85 20.586 -6.362 1.314 1.00 1.73 N ATOM 142 CA MET A 85 19.224 -6.841 1.176 1.00 1.50 C ATOM 143 C MET A 85 18.296 -6.107 2.134 1.00 1.22 C ATOM 144 O MET A 85 18.334 -6.308 3.351 1.00 1.24 O ATOM 145 CB MET A 85 19.137 -8.366 1.375 1.00 1.69 C ATOM 146 CG MET A 85 19.724 -8.891 2.680 1.00 2.17 C ATOM 147 SD MET A 85 21.524 -8.794 2.741 1.00 2.25 S ATOM 148 CE MET A 85 21.850 -9.648 4.282 1.00 2.83 C ATOM 0 HA MET A 85 18.898 -6.629 0.158 1.00 1.50 H new ATOM 0 HB2 MET A 85 18.089 -8.663 1.323 1.00 1.69 H new ATOM 0 HB3 MET A 85 19.648 -8.853 0.545 1.00 1.69 H new ATOM 0 HG2 MET A 85 19.308 -8.323 3.512 1.00 2.17 H new ATOM 0 HG3 MET A 85 19.418 -9.928 2.817 1.00 2.17 H new ATOM 0 HE1 MET A 85 22.924 -9.673 4.464 1.00 2.83 H new ATOM 0 HE2 MET A 85 21.356 -9.124 5.100 1.00 2.83 H new ATOM 0 HE3 MET A 85 21.469 -10.667 4.221 1.00 2.83 H new ATOM 158 N ARG A 86 17.507 -5.211 1.573 1.00 1.11 N ATOM 159 CA ARG A 86 16.537 -4.445 2.326 1.00 1.09 C ATOM 160 C ARG A 86 15.150 -5.041 2.143 1.00 0.90 C ATOM 161 O ARG A 86 14.528 -4.884 1.099 1.00 0.83 O ATOM 162 CB ARG A 86 16.600 -2.980 1.876 1.00 1.42 C ATOM 163 CG ARG A 86 15.400 -2.121 2.240 1.00 1.04 C ATOM 164 CD ARG A 86 15.157 -2.077 3.735 1.00 1.23 C ATOM 165 NE ARG A 86 14.271 -0.975 4.106 1.00 1.82 N ATOM 166 CZ ARG A 86 13.712 -0.834 5.305 1.00 2.48 C ATOM 167 NH1 ARG A 86 13.945 -1.725 6.261 1.00 2.60 N ATOM 168 NH2 ARG A 86 12.930 0.210 5.554 1.00 3.32 N ATOM 0 H ARG A 86 17.522 -4.994 0.576 1.00 1.11 H new ATOM 0 HA ARG A 86 16.766 -4.484 3.391 1.00 1.09 H new ATOM 0 HB2 ARG A 86 17.492 -2.526 2.308 1.00 1.42 H new ATOM 0 HB3 ARG A 86 16.723 -2.958 0.793 1.00 1.42 H new ATOM 0 HG2 ARG A 86 15.555 -1.108 1.869 1.00 1.04 H new ATOM 0 HG3 ARG A 86 14.512 -2.510 1.741 1.00 1.04 H new ATOM 0 HD2 ARG A 86 14.720 -3.021 4.061 1.00 1.23 H new ATOM 0 HD3 ARG A 86 16.109 -1.970 4.256 1.00 1.23 H new ATOM 0 HE ARG A 86 14.068 -0.268 3.399 1.00 1.82 H new ATOM 0 HH11 ARG A 86 14.555 -2.522 6.078 1.00 2.60 H new ATOM 0 HH12 ARG A 86 13.514 -1.613 7.179 1.00 2.60 H new ATOM 0 HH21 ARG A 86 12.758 0.904 4.826 1.00 3.32 H new ATOM 0 HH22 ARG A 86 12.501 0.318 6.473 1.00 3.32 H new ATOM 182 N PRO A 87 14.674 -5.782 3.145 1.00 0.91 N ATOM 183 CA PRO A 87 13.348 -6.391 3.113 1.00 0.80 C ATOM 184 C PRO A 87 12.241 -5.356 3.283 1.00 0.73 C ATOM 185 O PRO A 87 12.158 -4.674 4.309 1.00 0.88 O ATOM 186 CB PRO A 87 13.373 -7.357 4.299 1.00 0.99 C ATOM 187 CG PRO A 87 14.372 -6.775 5.243 1.00 1.24 C ATOM 188 CD PRO A 87 15.401 -6.092 4.386 1.00 1.12 C ATOM 0 HA PRO A 87 13.139 -6.878 2.160 1.00 0.80 H new ATOM 0 HB2 PRO A 87 12.390 -7.439 4.764 1.00 0.99 H new ATOM 0 HB3 PRO A 87 13.662 -8.360 3.986 1.00 0.99 H new ATOM 0 HG2 PRO A 87 13.899 -6.067 5.924 1.00 1.24 H new ATOM 0 HG3 PRO A 87 14.828 -7.552 5.856 1.00 1.24 H new ATOM 0 HD2 PRO A 87 15.783 -5.189 4.862 1.00 1.12 H new ATOM 0 HD3 PRO A 87 16.258 -6.739 4.197 1.00 1.12 H new ATOM 196 N LEU A 88 11.406 -5.234 2.268 1.00 0.56 N ATOM 197 CA LEU A 88 10.286 -4.313 2.310 1.00 0.53 C ATOM 198 C LEU A 88 8.996 -5.106 2.186 1.00 0.42 C ATOM 199 O LEU A 88 8.855 -5.939 1.286 1.00 0.40 O ATOM 200 CB LEU A 88 10.415 -3.285 1.175 1.00 0.58 C ATOM 201 CG LEU A 88 9.705 -1.938 1.387 1.00 1.02 C ATOM 202 CD1 LEU A 88 8.194 -2.089 1.335 1.00 1.45 C ATOM 203 CD2 LEU A 88 10.133 -1.313 2.708 1.00 1.60 C ATOM 0 H LEU A 88 11.483 -5.764 1.400 1.00 0.56 H new ATOM 0 HA LEU A 88 10.278 -3.770 3.255 1.00 0.53 H new ATOM 0 HB2 LEU A 88 11.475 -3.090 1.010 1.00 0.58 H new ATOM 0 HB3 LEU A 88 10.027 -3.735 0.261 1.00 0.58 H new ATOM 0 HG LEU A 88 10.000 -1.276 0.573 1.00 1.02 H new ATOM 0 HD11 LEU A 88 7.726 -1.117 1.489 1.00 1.45 H new ATOM 0 HD12 LEU A 88 7.901 -2.483 0.362 1.00 1.45 H new ATOM 0 HD13 LEU A 88 7.870 -2.776 2.117 1.00 1.45 H new ATOM 0 HD21 LEU A 88 9.621 -0.360 2.842 1.00 1.60 H new ATOM 0 HD22 LEU A 88 9.874 -1.983 3.528 1.00 1.60 H new ATOM 0 HD23 LEU A 88 11.210 -1.148 2.700 1.00 1.60 H new ATOM 215 N LYS A 89 8.070 -4.873 3.103 1.00 0.41 N ATOM 216 CA LYS A 89 6.806 -5.580 3.089 1.00 0.36 C ATOM 217 C LYS A 89 5.852 -4.925 2.110 1.00 0.30 C ATOM 218 O LYS A 89 5.342 -3.829 2.358 1.00 0.33 O ATOM 219 CB LYS A 89 6.177 -5.598 4.479 1.00 0.46 C ATOM 220 CG LYS A 89 7.038 -6.256 5.539 1.00 0.63 C ATOM 221 CD LYS A 89 6.364 -6.182 6.895 1.00 1.12 C ATOM 222 CE LYS A 89 7.261 -6.695 8.003 1.00 1.44 C ATOM 223 NZ LYS A 89 6.664 -6.449 9.340 1.00 2.13 N ATOM 0 H LYS A 89 8.173 -4.201 3.863 1.00 0.41 H new ATOM 0 HA LYS A 89 6.997 -6.607 2.778 1.00 0.36 H new ATOM 0 HB2 LYS A 89 5.965 -4.573 4.783 1.00 0.46 H new ATOM 0 HB3 LYS A 89 5.221 -6.120 4.427 1.00 0.46 H new ATOM 0 HG2 LYS A 89 7.219 -7.297 5.273 1.00 0.63 H new ATOM 0 HG3 LYS A 89 8.010 -5.764 5.583 1.00 0.63 H new ATOM 0 HD2 LYS A 89 6.083 -5.150 7.104 1.00 1.12 H new ATOM 0 HD3 LYS A 89 5.443 -6.765 6.875 1.00 1.12 H new ATOM 0 HE2 LYS A 89 7.432 -7.763 7.870 1.00 1.44 H new ATOM 0 HE3 LYS A 89 8.234 -6.207 7.942 1.00 1.44 H new ATOM 0 HZ1 LYS A 89 7.302 -6.811 10.077 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 6.524 -5.427 9.475 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 5.747 -6.936 9.406 1.00 2.13 H new ATOM 237 N ILE A 90 5.630 -5.579 0.989 1.00 0.27 N ATOM 238 CA ILE A 90 4.690 -5.082 0.010 1.00 0.26 C ATOM 239 C ILE A 90 3.445 -5.950 -0.018 1.00 0.26 C ATOM 240 O ILE A 90 3.520 -7.179 0.027 1.00 0.37 O ATOM 241 CB ILE A 90 5.317 -4.959 -1.402 1.00 0.33 C ATOM 242 CG1 ILE A 90 6.167 -6.187 -1.762 1.00 0.41 C ATOM 243 CG2 ILE A 90 6.152 -3.693 -1.498 1.00 0.43 C ATOM 244 CD1 ILE A 90 5.383 -7.326 -2.373 1.00 0.50 C ATOM 0 H ILE A 90 6.087 -6.454 0.735 1.00 0.27 H new ATOM 0 HA ILE A 90 4.407 -4.074 0.314 1.00 0.26 H new ATOM 0 HB ILE A 90 4.499 -4.906 -2.121 1.00 0.33 H new ATOM 0 HG12 ILE A 90 6.948 -5.883 -2.459 1.00 0.41 H new ATOM 0 HG13 ILE A 90 6.666 -6.546 -0.862 1.00 0.41 H new ATOM 0 HG21 ILE A 90 6.587 -3.619 -2.495 1.00 0.43 H new ATOM 0 HG22 ILE A 90 5.519 -2.825 -1.312 1.00 0.43 H new ATOM 0 HG23 ILE A 90 6.950 -3.726 -0.756 1.00 0.43 H new ATOM 0 HD11 ILE A 90 6.057 -8.153 -2.597 1.00 0.50 H new ATOM 0 HD12 ILE A 90 4.620 -7.661 -1.670 1.00 0.50 H new ATOM 0 HD13 ILE A 90 4.906 -6.987 -3.293 1.00 0.50 H new ATOM 256 N ARG A 91 2.303 -5.299 -0.048 1.00 0.23 N ATOM 257 CA ARG A 91 1.033 -5.986 -0.076 1.00 0.29 C ATOM 258 C ARG A 91 0.470 -5.897 -1.486 1.00 0.37 C ATOM 259 O ARG A 91 0.194 -4.805 -1.981 1.00 0.39 O ATOM 260 CB ARG A 91 0.086 -5.348 0.944 1.00 0.35 C ATOM 261 CG ARG A 91 -1.064 -6.244 1.373 1.00 0.51 C ATOM 262 CD ARG A 91 -1.945 -5.554 2.404 1.00 0.67 C ATOM 263 NE ARG A 91 -2.946 -6.458 2.971 1.00 1.05 N ATOM 264 CZ ARG A 91 -4.006 -6.054 3.675 1.00 1.32 C ATOM 265 NH1 ARG A 91 -4.218 -4.767 3.887 1.00 1.20 N ATOM 266 NH2 ARG A 91 -4.844 -6.942 4.191 1.00 2.24 N ATOM 0 H ARG A 91 2.230 -4.282 -0.054 1.00 0.23 H new ATOM 0 HA ARG A 91 1.154 -7.036 0.191 1.00 0.29 H new ATOM 0 HB2 ARG A 91 0.659 -5.064 1.827 1.00 0.35 H new ATOM 0 HB3 ARG A 91 -0.322 -4.431 0.520 1.00 0.35 H new ATOM 0 HG2 ARG A 91 -1.662 -6.514 0.503 1.00 0.51 H new ATOM 0 HG3 ARG A 91 -0.670 -7.171 1.790 1.00 0.51 H new ATOM 0 HD2 ARG A 91 -1.321 -5.157 3.205 1.00 0.67 H new ATOM 0 HD3 ARG A 91 -2.447 -4.705 1.940 1.00 0.67 H new ATOM 0 HE ARG A 91 -2.827 -7.459 2.819 1.00 1.05 H new ATOM 0 HH11 ARG A 91 -3.570 -4.075 3.512 1.00 1.20 H new ATOM 0 HH12 ARG A 91 -5.030 -4.466 4.426 1.00 1.20 H new ATOM 0 HH21 ARG A 91 -4.680 -7.939 4.051 1.00 2.24 H new ATOM 0 HH22 ARG A 91 -5.652 -6.628 4.728 1.00 2.24 H new ATOM 280 N MET A 92 0.336 -7.037 -2.144 1.00 0.54 N ATOM 281 CA MET A 92 -0.047 -7.053 -3.548 1.00 0.67 C ATOM 282 C MET A 92 -1.550 -6.913 -3.717 1.00 0.64 C ATOM 283 O MET A 92 -2.287 -6.726 -2.747 1.00 0.92 O ATOM 284 CB MET A 92 0.427 -8.330 -4.250 1.00 0.88 C ATOM 285 CG MET A 92 1.896 -8.675 -4.025 1.00 1.00 C ATOM 286 SD MET A 92 3.018 -7.821 -5.158 1.00 1.34 S ATOM 287 CE MET A 92 2.870 -6.111 -4.641 1.00 1.05 C ATOM 0 H MET A 92 0.485 -7.958 -1.733 1.00 0.54 H new ATOM 0 HA MET A 92 0.442 -6.196 -4.012 1.00 0.67 H new ATOM 0 HB2 MET A 92 -0.185 -9.165 -3.907 1.00 0.88 H new ATOM 0 HB3 MET A 92 0.253 -8.226 -5.321 1.00 0.88 H new ATOM 0 HG2 MET A 92 2.167 -8.424 -3.000 1.00 1.00 H new ATOM 0 HG3 MET A 92 2.030 -9.751 -4.136 1.00 1.00 H new ATOM 0 HE1 MET A 92 3.842 -5.623 -4.716 1.00 1.05 H new ATOM 0 HE2 MET A 92 2.155 -5.597 -5.284 1.00 1.05 H new ATOM 0 HE3 MET A 92 2.523 -6.072 -3.608 1.00 1.05 H new ATOM 297 N LEU A 93 -1.974 -7.091 -4.959 1.00 0.74 N ATOM 298 CA LEU A 93 -3.321 -6.778 -5.421 1.00 0.79 C ATOM 299 C LEU A 93 -4.399 -7.441 -4.572 1.00 1.05 C ATOM 300 O LEU A 93 -5.409 -6.820 -4.241 1.00 1.17 O ATOM 301 CB LEU A 93 -3.481 -7.226 -6.878 1.00 0.75 C ATOM 302 CG LEU A 93 -2.681 -6.444 -7.935 1.00 0.89 C ATOM 303 CD1 LEU A 93 -3.023 -4.966 -7.880 1.00 1.49 C ATOM 304 CD2 LEU A 93 -1.177 -6.649 -7.797 1.00 1.23 C ATOM 0 H LEU A 93 -1.376 -7.467 -5.694 1.00 0.74 H new ATOM 0 HA LEU A 93 -3.449 -5.699 -5.333 1.00 0.79 H new ATOM 0 HB2 LEU A 93 -3.196 -8.276 -6.944 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -4.538 -7.166 -7.138 1.00 0.75 H new ATOM 0 HG LEU A 93 -2.970 -6.840 -8.908 1.00 0.89 H new ATOM 0 HD11 LEU A 93 -2.447 -4.431 -8.635 1.00 1.49 H new ATOM 0 HD12 LEU A 93 -4.087 -4.831 -8.073 1.00 1.49 H new ATOM 0 HD13 LEU A 93 -2.781 -4.573 -6.893 1.00 1.49 H new ATOM 0 HD21 LEU A 93 -0.660 -6.076 -8.566 1.00 1.23 H new ATOM 0 HD22 LEU A 93 -0.853 -6.311 -6.813 1.00 1.23 H new ATOM 0 HD23 LEU A 93 -0.942 -7.707 -7.913 1.00 1.23 H new ATOM 316 N ASP A 94 -4.180 -8.699 -4.219 1.00 1.47 N ATOM 317 CA ASP A 94 -5.169 -9.472 -3.472 1.00 1.97 C ATOM 318 C ASP A 94 -5.059 -9.201 -1.979 1.00 1.17 C ATOM 319 O ASP A 94 -5.715 -9.858 -1.168 1.00 1.38 O ATOM 320 CB ASP A 94 -4.992 -10.970 -3.737 1.00 2.91 C ATOM 321 CG ASP A 94 -5.201 -11.335 -5.191 1.00 3.61 C ATOM 322 OD1 ASP A 94 -6.354 -11.269 -5.668 1.00 3.80 O ATOM 323 OD2 ASP A 94 -4.212 -11.700 -5.866 1.00 4.21 O ATOM 0 H ASP A 94 -3.325 -9.210 -4.437 1.00 1.47 H new ATOM 0 HA ASP A 94 -6.158 -9.163 -3.811 1.00 1.97 H new ATOM 0 HB2 ASP A 94 -3.991 -11.273 -3.431 1.00 2.91 H new ATOM 0 HB3 ASP A 94 -5.696 -11.529 -3.121 1.00 2.91 H new ATOM 328 N GLY A 95 -4.231 -8.233 -1.620 1.00 0.66 N ATOM 329 CA GLY A 95 -4.020 -7.912 -0.226 1.00 1.19 C ATOM 330 C GLY A 95 -3.067 -8.880 0.436 1.00 1.02 C ATOM 331 O GLY A 95 -3.103 -9.065 1.650 1.00 1.18 O ATOM 0 H GLY A 95 -3.698 -7.661 -2.275 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -3.626 -6.899 -0.142 1.00 1.19 H new ATOM 0 HA3 GLY A 95 -4.975 -7.927 0.299 1.00 1.19 H new ATOM 335 N THR A 96 -2.208 -9.493 -0.362 1.00 0.83 N ATOM 336 CA THR A 96 -1.276 -10.487 0.151 1.00 0.83 C ATOM 337 C THR A 96 0.108 -9.867 0.354 1.00 0.62 C ATOM 338 O THR A 96 0.584 -9.103 -0.484 1.00 0.62 O ATOM 339 CB THR A 96 -1.195 -11.713 -0.795 1.00 1.12 C ATOM 340 OG1 THR A 96 -0.393 -12.749 -0.214 1.00 1.55 O ATOM 341 CG2 THR A 96 -0.628 -11.332 -2.154 1.00 1.67 C ATOM 0 H THR A 96 -2.136 -9.321 -1.365 1.00 0.83 H new ATOM 0 HA THR A 96 -1.645 -10.833 1.117 1.00 0.83 H new ATOM 0 HB THR A 96 -2.211 -12.081 -0.936 1.00 1.12 H new ATOM 0 HG1 THR A 96 -0.355 -13.515 -0.825 1.00 1.55 H new ATOM 0 HG21 THR A 96 -0.586 -12.215 -2.791 1.00 1.67 H new ATOM 0 HG22 THR A 96 -1.267 -10.581 -2.617 1.00 1.67 H new ATOM 0 HG23 THR A 96 0.376 -10.926 -2.029 1.00 1.67 H new ATOM 349 N VAL A 97 0.737 -10.174 1.479 1.00 0.56 N ATOM 350 CA VAL A 97 2.031 -9.591 1.810 1.00 0.46 C ATOM 351 C VAL A 97 3.171 -10.481 1.336 1.00 0.46 C ATOM 352 O VAL A 97 3.216 -11.672 1.649 1.00 0.57 O ATOM 353 CB VAL A 97 2.178 -9.351 3.328 1.00 0.54 C ATOM 354 CG1 VAL A 97 3.550 -8.769 3.650 1.00 0.69 C ATOM 355 CG2 VAL A 97 1.073 -8.436 3.832 1.00 0.96 C ATOM 0 H VAL A 97 0.374 -10.822 2.178 1.00 0.56 H new ATOM 0 HA VAL A 97 2.082 -8.631 1.295 1.00 0.46 H new ATOM 0 HB VAL A 97 2.088 -10.310 3.838 1.00 0.54 H new ATOM 0 HG11 VAL A 97 3.633 -8.607 4.725 1.00 0.69 H new ATOM 0 HG12 VAL A 97 4.325 -9.464 3.326 1.00 0.69 H new ATOM 0 HG13 VAL A 97 3.674 -7.819 3.129 1.00 0.69 H new ATOM 0 HG21 VAL A 97 1.192 -8.278 4.904 1.00 0.96 H new ATOM 0 HG22 VAL A 97 1.130 -7.478 3.315 1.00 0.96 H new ATOM 0 HG23 VAL A 97 0.104 -8.895 3.639 1.00 0.96 H new ATOM 365 N LYS A 98 4.089 -9.894 0.584 1.00 0.43 N ATOM 366 CA LYS A 98 5.262 -10.609 0.114 1.00 0.49 C ATOM 367 C LYS A 98 6.526 -9.883 0.558 1.00 0.45 C ATOM 368 O LYS A 98 6.597 -8.654 0.519 1.00 0.40 O ATOM 369 CB LYS A 98 5.241 -10.732 -1.410 1.00 0.56 C ATOM 370 CG LYS A 98 6.329 -11.633 -1.975 1.00 0.68 C ATOM 371 CD LYS A 98 6.273 -11.682 -3.494 1.00 1.20 C ATOM 372 CE LYS A 98 7.415 -12.502 -4.075 1.00 1.69 C ATOM 373 NZ LYS A 98 7.326 -13.940 -3.705 1.00 1.78 N ATOM 0 H LYS A 98 4.042 -8.920 0.286 1.00 0.43 H new ATOM 0 HA LYS A 98 5.253 -11.611 0.544 1.00 0.49 H new ATOM 0 HB2 LYS A 98 4.269 -11.116 -1.720 1.00 0.56 H new ATOM 0 HB3 LYS A 98 5.345 -9.738 -1.846 1.00 0.56 H new ATOM 0 HG2 LYS A 98 7.306 -11.270 -1.657 1.00 0.68 H new ATOM 0 HG3 LYS A 98 6.216 -12.640 -1.572 1.00 0.68 H new ATOM 0 HD2 LYS A 98 5.321 -12.110 -3.809 1.00 1.20 H new ATOM 0 HD3 LYS A 98 6.314 -10.668 -3.892 1.00 1.20 H new ATOM 0 HE2 LYS A 98 7.410 -12.408 -5.161 1.00 1.69 H new ATOM 0 HE3 LYS A 98 8.364 -12.097 -3.724 1.00 1.69 H new ATOM 0 HZ1 LYS A 98 8.076 -14.471 -4.192 1.00 1.78 H new ATOM 0 HZ2 LYS A 98 7.442 -14.042 -2.677 1.00 1.78 H new ATOM 0 HZ3 LYS A 98 6.398 -14.314 -3.987 1.00 1.78 H new ATOM 387 N THR A 99 7.510 -10.646 0.995 1.00 0.52 N ATOM 388 CA THR A 99 8.796 -10.091 1.372 1.00 0.55 C ATOM 389 C THR A 99 9.674 -9.917 0.137 1.00 0.54 C ATOM 390 O THR A 99 10.113 -10.897 -0.471 1.00 0.65 O ATOM 391 CB THR A 99 9.505 -11.003 2.385 1.00 0.69 C ATOM 392 OG1 THR A 99 8.661 -11.210 3.526 1.00 0.78 O ATOM 393 CG2 THR A 99 10.834 -10.406 2.831 1.00 0.76 C ATOM 0 H THR A 99 7.442 -11.659 1.098 1.00 0.52 H new ATOM 0 HA THR A 99 8.626 -9.119 1.835 1.00 0.55 H new ATOM 0 HB THR A 99 9.707 -11.957 1.898 1.00 0.69 H new ATOM 0 HG1 THR A 99 9.117 -11.793 4.168 1.00 0.78 H new ATOM 0 HG21 THR A 99 11.311 -11.075 3.547 1.00 0.76 H new ATOM 0 HG22 THR A 99 11.484 -10.278 1.965 1.00 0.76 H new ATOM 0 HG23 THR A 99 10.659 -9.438 3.300 1.00 0.76 H new ATOM 401 N ILE A 100 9.908 -8.673 -0.246 1.00 0.47 N ATOM 402 CA ILE A 100 10.714 -8.377 -1.418 1.00 0.51 C ATOM 403 C ILE A 100 12.037 -7.739 -1.019 1.00 0.53 C ATOM 404 O ILE A 100 12.085 -6.883 -0.131 1.00 0.55 O ATOM 405 CB ILE A 100 9.949 -7.454 -2.396 1.00 0.55 C ATOM 406 CG1 ILE A 100 8.815 -8.234 -3.068 1.00 0.62 C ATOM 407 CG2 ILE A 100 10.883 -6.857 -3.441 1.00 0.63 C ATOM 408 CD1 ILE A 100 9.297 -9.363 -3.956 1.00 1.06 C ATOM 0 H ILE A 100 9.550 -7.850 0.239 1.00 0.47 H new ATOM 0 HA ILE A 100 10.923 -9.319 -1.925 1.00 0.51 H new ATOM 0 HB ILE A 100 9.524 -6.628 -1.826 1.00 0.55 H new ATOM 0 HG12 ILE A 100 8.161 -8.643 -2.298 1.00 0.62 H new ATOM 0 HG13 ILE A 100 8.215 -7.546 -3.663 1.00 0.62 H new ATOM 0 HG21 ILE A 100 10.314 -6.214 -4.112 1.00 0.63 H new ATOM 0 HG22 ILE A 100 11.656 -6.270 -2.945 1.00 0.63 H new ATOM 0 HG23 ILE A 100 11.348 -7.659 -4.014 1.00 0.63 H new ATOM 0 HD11 ILE A 100 8.439 -9.870 -4.398 1.00 1.06 H new ATOM 0 HD12 ILE A 100 9.927 -8.959 -4.748 1.00 1.06 H new ATOM 0 HD13 ILE A 100 9.872 -10.073 -3.362 1.00 1.06 H new ATOM 420 N MET A 101 13.108 -8.179 -1.666 1.00 0.61 N ATOM 421 CA MET A 101 14.426 -7.626 -1.422 1.00 0.68 C ATOM 422 C MET A 101 14.614 -6.359 -2.237 1.00 0.76 C ATOM 423 O MET A 101 14.458 -6.362 -3.460 1.00 0.88 O ATOM 424 CB MET A 101 15.521 -8.630 -1.786 1.00 0.79 C ATOM 425 CG MET A 101 16.896 -8.231 -1.274 1.00 1.18 C ATOM 426 SD MET A 101 18.171 -8.227 -2.555 1.00 1.64 S ATOM 427 CE MET A 101 17.756 -6.738 -3.466 1.00 1.04 C ATOM 0 H MET A 101 13.085 -8.921 -2.366 1.00 0.61 H new ATOM 0 HA MET A 101 14.504 -7.397 -0.359 1.00 0.68 H new ATOM 0 HB2 MET A 101 15.259 -9.607 -1.379 1.00 0.79 H new ATOM 0 HB3 MET A 101 15.561 -8.736 -2.870 1.00 0.79 H new ATOM 0 HG2 MET A 101 16.835 -7.237 -0.830 1.00 1.18 H new ATOM 0 HG3 MET A 101 17.192 -8.917 -0.480 1.00 1.18 H new ATOM 0 HE1 MET A 101 18.529 -6.538 -4.208 1.00 1.04 H new ATOM 0 HE2 MET A 101 16.798 -6.873 -3.967 1.00 1.04 H new ATOM 0 HE3 MET A 101 17.689 -5.896 -2.777 1.00 1.04 H new ATOM 437 N VAL A 102 14.937 -5.281 -1.557 1.00 0.79 N ATOM 438 CA VAL A 102 15.210 -4.019 -2.208 1.00 0.95 C ATOM 439 C VAL A 102 16.691 -3.698 -2.083 1.00 1.08 C ATOM 440 O VAL A 102 17.289 -3.930 -1.032 1.00 1.09 O ATOM 441 CB VAL A 102 14.399 -2.873 -1.571 1.00 1.00 C ATOM 442 CG1 VAL A 102 14.258 -1.706 -2.528 1.00 1.51 C ATOM 443 CG2 VAL A 102 13.037 -3.353 -1.099 1.00 1.14 C ATOM 0 H VAL A 102 15.018 -5.254 -0.541 1.00 0.79 H new ATOM 0 HA VAL A 102 14.923 -4.110 -3.256 1.00 0.95 H new ATOM 0 HB VAL A 102 14.951 -2.528 -0.697 1.00 1.00 H new ATOM 0 HG11 VAL A 102 13.682 -0.913 -2.052 1.00 1.51 H new ATOM 0 HG12 VAL A 102 15.247 -1.329 -2.790 1.00 1.51 H new ATOM 0 HG13 VAL A 102 13.744 -2.036 -3.431 1.00 1.51 H new ATOM 0 HG21 VAL A 102 12.491 -2.520 -0.655 1.00 1.14 H new ATOM 0 HG22 VAL A 102 12.475 -3.744 -1.947 1.00 1.14 H new ATOM 0 HG23 VAL A 102 13.166 -4.140 -0.356 1.00 1.14 H new ATOM 453 N ASP A 103 17.289 -3.200 -3.154 1.00 1.23 N ATOM 454 CA ASP A 103 18.680 -2.757 -3.105 1.00 1.37 C ATOM 455 C ASP A 103 18.737 -1.385 -2.469 1.00 1.31 C ATOM 456 O ASP A 103 19.775 -0.933 -2.007 1.00 2.05 O ATOM 457 CB ASP A 103 19.285 -2.736 -4.509 1.00 1.53 C ATOM 458 CG ASP A 103 20.765 -2.395 -4.511 1.00 1.82 C ATOM 459 OD1 ASP A 103 21.588 -3.298 -4.254 1.00 1.99 O ATOM 460 OD2 ASP A 103 21.113 -1.221 -4.766 1.00 2.12 O ATOM 0 H ASP A 103 16.840 -3.091 -4.063 1.00 1.23 H new ATOM 0 HA ASP A 103 19.266 -3.453 -2.505 1.00 1.37 H new ATOM 0 HB2 ASP A 103 19.141 -3.711 -4.975 1.00 1.53 H new ATOM 0 HB3 ASP A 103 18.749 -2.009 -5.119 1.00 1.53 H new ATOM 465 N ASP A 104 17.579 -0.752 -2.479 1.00 0.88 N ATOM 466 CA ASP A 104 17.307 0.493 -1.745 1.00 1.00 C ATOM 467 C ASP A 104 18.395 1.544 -1.957 1.00 1.19 C ATOM 468 O ASP A 104 19.366 1.617 -1.197 1.00 1.92 O ATOM 469 CB ASP A 104 17.134 0.189 -0.248 1.00 1.84 C ATOM 470 CG ASP A 104 16.792 1.412 0.584 1.00 2.59 C ATOM 471 OD1 ASP A 104 15.686 1.965 0.420 1.00 2.95 O ATOM 472 OD2 ASP A 104 17.623 1.813 1.429 1.00 3.23 O ATOM 0 H ASP A 104 16.774 -1.089 -3.008 1.00 0.88 H new ATOM 0 HA ASP A 104 16.382 0.913 -2.141 1.00 1.00 H new ATOM 0 HB2 ASP A 104 16.347 -0.555 -0.125 1.00 1.84 H new ATOM 0 HB3 ASP A 104 18.054 -0.254 0.133 1.00 1.84 H new ATOM 477 N SER A 105 18.240 2.345 -2.997 1.00 1.46 N ATOM 478 CA SER A 105 19.217 3.374 -3.302 1.00 2.15 C ATOM 479 C SER A 105 18.637 4.776 -3.099 1.00 1.93 C ATOM 480 O SER A 105 19.246 5.611 -2.429 1.00 2.30 O ATOM 481 CB SER A 105 19.724 3.208 -4.736 1.00 2.94 C ATOM 482 OG SER A 105 20.302 1.924 -4.927 1.00 3.13 O ATOM 0 H SER A 105 17.450 2.303 -3.641 1.00 1.46 H new ATOM 0 HA SER A 105 20.053 3.260 -2.612 1.00 2.15 H new ATOM 0 HB2 SER A 105 18.900 3.347 -5.435 1.00 2.94 H new ATOM 0 HB3 SER A 105 20.462 3.979 -4.956 1.00 2.94 H new ATOM 0 HG SER A 105 20.617 1.841 -5.851 1.00 3.13 H new ATOM 488 N LYS A 106 17.459 5.035 -3.658 1.00 1.65 N ATOM 489 CA LYS A 106 16.910 6.390 -3.653 1.00 1.78 C ATOM 490 C LYS A 106 15.429 6.423 -3.261 1.00 1.42 C ATOM 491 O LYS A 106 15.004 5.767 -2.308 1.00 2.04 O ATOM 492 CB LYS A 106 17.105 7.037 -5.031 1.00 2.36 C ATOM 493 CG LYS A 106 18.559 7.119 -5.479 1.00 2.91 C ATOM 494 CD LYS A 106 18.701 7.908 -6.771 1.00 3.40 C ATOM 495 CE LYS A 106 18.400 9.384 -6.557 1.00 4.35 C ATOM 496 NZ LYS A 106 18.325 10.131 -7.839 1.00 4.92 N ATOM 0 H LYS A 106 16.872 4.337 -4.115 1.00 1.65 H new ATOM 0 HA LYS A 106 17.453 6.957 -2.897 1.00 1.78 H new ATOM 0 HB2 LYS A 106 16.540 6.470 -5.770 1.00 2.36 H new ATOM 0 HB3 LYS A 106 16.685 8.043 -5.011 1.00 2.36 H new ATOM 0 HG2 LYS A 106 19.156 7.589 -4.697 1.00 2.91 H new ATOM 0 HG3 LYS A 106 18.954 6.113 -5.621 1.00 2.91 H new ATOM 0 HD2 LYS A 106 19.713 7.794 -7.159 1.00 3.40 H new ATOM 0 HD3 LYS A 106 18.024 7.502 -7.523 1.00 3.40 H new ATOM 0 HE2 LYS A 106 17.456 9.487 -6.022 1.00 4.35 H new ATOM 0 HE3 LYS A 106 19.173 9.823 -5.927 1.00 4.35 H new ATOM 0 HZ1 LYS A 106 18.118 11.132 -7.646 1.00 4.92 H new ATOM 0 HZ2 LYS A 106 19.234 10.055 -8.339 1.00 4.92 H new ATOM 0 HZ3 LYS A 106 17.570 9.729 -8.431 1.00 4.92 H new ATOM 510 N THR A 107 14.670 7.216 -4.011 1.00 1.10 N ATOM 511 CA THR A 107 13.263 7.508 -3.736 1.00 0.79 C ATOM 512 C THR A 107 12.355 6.283 -3.824 1.00 0.61 C ATOM 513 O THR A 107 12.807 5.170 -4.105 1.00 0.63 O ATOM 514 CB THR A 107 12.760 8.551 -4.747 1.00 0.92 C ATOM 515 OG1 THR A 107 13.345 8.287 -6.027 1.00 1.28 O ATOM 516 CG2 THR A 107 13.109 9.960 -4.295 1.00 1.08 C ATOM 0 H THR A 107 15.022 7.685 -4.846 1.00 1.10 H new ATOM 0 HA THR A 107 13.218 7.875 -2.711 1.00 0.79 H new ATOM 0 HB THR A 107 11.675 8.479 -4.816 1.00 0.92 H new ATOM 0 HG1 THR A 107 13.026 8.949 -6.675 1.00 1.28 H new ATOM 0 HG21 THR A 107 12.742 10.679 -5.028 1.00 1.08 H new ATOM 0 HG22 THR A 107 12.645 10.158 -3.329 1.00 1.08 H new ATOM 0 HG23 THR A 107 14.191 10.055 -4.204 1.00 1.08 H new ATOM 524 N VAL A 108 11.059 6.513 -3.589 1.00 0.57 N ATOM 525 CA VAL A 108 10.038 5.494 -3.801 1.00 0.44 C ATOM 526 C VAL A 108 10.127 4.979 -5.234 1.00 0.41 C ATOM 527 O VAL A 108 9.900 3.803 -5.499 1.00 0.40 O ATOM 528 CB VAL A 108 8.614 6.049 -3.526 1.00 0.42 C ATOM 529 CG1 VAL A 108 7.538 5.087 -4.005 1.00 0.35 C ATOM 530 CG2 VAL A 108 8.424 6.338 -2.044 1.00 0.56 C ATOM 0 H VAL A 108 10.695 7.404 -3.250 1.00 0.57 H new ATOM 0 HA VAL A 108 10.218 4.678 -3.101 1.00 0.44 H new ATOM 0 HB VAL A 108 8.516 6.979 -4.086 1.00 0.42 H new ATOM 0 HG11 VAL A 108 6.554 5.508 -3.796 1.00 0.35 H new ATOM 0 HG12 VAL A 108 7.644 4.927 -5.078 1.00 0.35 H new ATOM 0 HG13 VAL A 108 7.643 4.135 -3.484 1.00 0.35 H new ATOM 0 HG21 VAL A 108 7.419 6.726 -1.875 1.00 0.56 H new ATOM 0 HG22 VAL A 108 8.559 5.419 -1.474 1.00 0.56 H new ATOM 0 HG23 VAL A 108 9.157 7.077 -1.720 1.00 0.56 H new ATOM 540 N THR A 109 10.471 5.874 -6.149 1.00 0.46 N ATOM 541 CA THR A 109 10.730 5.529 -7.522 1.00 0.53 C ATOM 542 C THR A 109 11.734 4.380 -7.625 1.00 0.56 C ATOM 543 O THR A 109 11.419 3.311 -8.146 1.00 0.63 O ATOM 544 CB THR A 109 11.312 6.756 -8.224 1.00 0.67 C ATOM 545 OG1 THR A 109 10.470 7.895 -8.026 1.00 1.39 O ATOM 546 CG2 THR A 109 11.476 6.506 -9.692 1.00 1.15 C ATOM 0 H THR A 109 10.577 6.868 -5.947 1.00 0.46 H new ATOM 0 HA THR A 109 9.797 5.212 -7.987 1.00 0.53 H new ATOM 0 HB THR A 109 12.292 6.953 -7.789 1.00 0.67 H new ATOM 0 HG1 THR A 109 10.858 8.672 -8.480 1.00 1.39 H new ATOM 0 HG21 THR A 109 11.892 7.394 -10.168 1.00 1.15 H new ATOM 0 HG22 THR A 109 12.150 5.663 -9.844 1.00 1.15 H new ATOM 0 HG23 THR A 109 10.506 6.278 -10.133 1.00 1.15 H new ATOM 554 N ASP A 110 12.922 4.611 -7.080 1.00 0.60 N ATOM 555 CA ASP A 110 14.014 3.643 -7.126 1.00 0.68 C ATOM 556 C ASP A 110 13.658 2.375 -6.362 1.00 0.58 C ATOM 557 O ASP A 110 13.829 1.265 -6.864 1.00 0.60 O ATOM 558 CB ASP A 110 15.277 4.269 -6.530 1.00 0.87 C ATOM 559 CG ASP A 110 16.420 3.281 -6.395 1.00 1.58 C ATOM 560 OD1 ASP A 110 17.179 3.107 -7.373 1.00 1.72 O ATOM 561 OD2 ASP A 110 16.552 2.664 -5.315 1.00 2.48 O ATOM 0 H ASP A 110 13.157 5.476 -6.593 1.00 0.60 H new ATOM 0 HA ASP A 110 14.191 3.373 -8.167 1.00 0.68 H new ATOM 0 HB2 ASP A 110 15.595 5.101 -7.158 1.00 0.87 H new ATOM 0 HB3 ASP A 110 15.043 4.682 -5.549 1.00 0.87 H new ATOM 566 N MET A 111 13.158 2.557 -5.150 1.00 0.54 N ATOM 567 CA MET A 111 12.814 1.446 -4.272 1.00 0.51 C ATOM 568 C MET A 111 11.741 0.556 -4.892 1.00 0.42 C ATOM 569 O MET A 111 11.889 -0.664 -4.969 1.00 0.46 O ATOM 570 CB MET A 111 12.316 1.988 -2.929 1.00 0.53 C ATOM 571 CG MET A 111 11.999 0.912 -1.902 1.00 0.59 C ATOM 572 SD MET A 111 11.243 1.580 -0.407 1.00 0.71 S ATOM 573 CE MET A 111 12.437 2.840 0.029 1.00 0.82 C ATOM 0 H MET A 111 12.979 3.476 -4.746 1.00 0.54 H new ATOM 0 HA MET A 111 13.710 0.843 -4.123 1.00 0.51 H new ATOM 0 HB2 MET A 111 13.072 2.657 -2.517 1.00 0.53 H new ATOM 0 HB3 MET A 111 11.421 2.586 -3.101 1.00 0.53 H new ATOM 0 HG2 MET A 111 11.328 0.177 -2.347 1.00 0.59 H new ATOM 0 HG3 MET A 111 12.916 0.387 -1.637 1.00 0.59 H new ATOM 0 HE1 MET A 111 12.301 3.125 1.072 1.00 0.82 H new ATOM 0 HE2 MET A 111 13.445 2.450 -0.113 1.00 0.82 H new ATOM 0 HE3 MET A 111 12.293 3.713 -0.607 1.00 0.82 H new ATOM 583 N LEU A 112 10.672 1.180 -5.357 1.00 0.36 N ATOM 584 CA LEU A 112 9.495 0.454 -5.800 1.00 0.34 C ATOM 585 C LEU A 112 9.656 -0.134 -7.194 1.00 0.38 C ATOM 586 O LEU A 112 9.099 -1.192 -7.477 1.00 0.37 O ATOM 587 CB LEU A 112 8.264 1.357 -5.743 1.00 0.34 C ATOM 588 CG LEU A 112 7.499 1.331 -4.411 1.00 0.42 C ATOM 589 CD1 LEU A 112 6.932 -0.055 -4.150 1.00 0.79 C ATOM 590 CD2 LEU A 112 8.393 1.754 -3.254 1.00 0.45 C ATOM 0 H LEU A 112 10.596 2.194 -5.438 1.00 0.36 H new ATOM 0 HA LEU A 112 9.363 -0.385 -5.117 1.00 0.34 H new ATOM 0 HB2 LEU A 112 8.574 2.382 -5.946 1.00 0.34 H new ATOM 0 HB3 LEU A 112 7.582 1.066 -6.542 1.00 0.34 H new ATOM 0 HG LEU A 112 6.677 2.043 -4.486 1.00 0.42 H new ATOM 0 HD11 LEU A 112 6.393 -0.055 -3.202 1.00 0.79 H new ATOM 0 HD12 LEU A 112 6.250 -0.327 -4.955 1.00 0.79 H new ATOM 0 HD13 LEU A 112 7.746 -0.779 -4.105 1.00 0.79 H new ATOM 0 HD21 LEU A 112 7.824 1.726 -2.325 1.00 0.45 H new ATOM 0 HD22 LEU A 112 9.241 1.073 -3.181 1.00 0.45 H new ATOM 0 HD23 LEU A 112 8.756 2.767 -3.426 1.00 0.45 H new ATOM 602 N MET A 113 10.412 0.528 -8.065 1.00 0.44 N ATOM 603 CA MET A 113 10.617 -0.002 -9.410 1.00 0.50 C ATOM 604 C MET A 113 11.384 -1.318 -9.329 1.00 0.50 C ATOM 605 O MET A 113 11.187 -2.212 -10.149 1.00 0.54 O ATOM 606 CB MET A 113 11.347 0.994 -10.322 1.00 0.60 C ATOM 607 CG MET A 113 12.819 1.198 -9.993 1.00 0.64 C ATOM 608 SD MET A 113 13.626 2.335 -11.136 1.00 1.07 S ATOM 609 CE MET A 113 15.305 2.293 -10.515 1.00 2.09 C ATOM 0 H MET A 113 10.883 1.412 -7.871 1.00 0.44 H new ATOM 0 HA MET A 113 9.637 -0.176 -9.855 1.00 0.50 H new ATOM 0 HB2 MET A 113 11.264 0.650 -11.353 1.00 0.60 H new ATOM 0 HB3 MET A 113 10.839 1.957 -10.265 1.00 0.60 H new ATOM 0 HG2 MET A 113 12.912 1.581 -8.977 1.00 0.64 H new ATOM 0 HG3 MET A 113 13.331 0.236 -10.019 1.00 0.64 H new ATOM 0 HE1 MET A 113 15.698 3.308 -10.460 1.00 2.09 H new ATOM 0 HE2 MET A 113 15.314 1.846 -9.521 1.00 2.09 H new ATOM 0 HE3 MET A 113 15.926 1.699 -11.186 1.00 2.09 H new ATOM 619 N THR A 114 12.243 -1.434 -8.320 1.00 0.47 N ATOM 620 CA THR A 114 12.933 -2.681 -8.049 1.00 0.48 C ATOM 621 C THR A 114 11.926 -3.745 -7.625 1.00 0.41 C ATOM 622 O THR A 114 11.848 -4.810 -8.227 1.00 0.42 O ATOM 623 CB THR A 114 13.985 -2.503 -6.935 1.00 0.54 C ATOM 624 OG1 THR A 114 14.818 -1.377 -7.228 1.00 0.65 O ATOM 625 CG2 THR A 114 14.847 -3.749 -6.792 1.00 0.54 C ATOM 0 H THR A 114 12.475 -0.676 -7.679 1.00 0.47 H new ATOM 0 HA THR A 114 13.442 -2.992 -8.961 1.00 0.48 H new ATOM 0 HB THR A 114 13.459 -2.337 -5.995 1.00 0.54 H new ATOM 0 HG1 THR A 114 14.341 -0.550 -7.005 1.00 0.65 H new ATOM 0 HG21 THR A 114 15.580 -3.596 -6.000 1.00 0.54 H new ATOM 0 HG22 THR A 114 14.216 -4.602 -6.542 1.00 0.54 H new ATOM 0 HG23 THR A 114 15.364 -3.944 -7.732 1.00 0.54 H new ATOM 633 N ILE A 115 11.142 -3.421 -6.601 1.00 0.36 N ATOM 634 CA ILE A 115 10.121 -4.319 -6.068 1.00 0.35 C ATOM 635 C ILE A 115 9.176 -4.809 -7.164 1.00 0.34 C ATOM 636 O ILE A 115 8.918 -6.006 -7.284 1.00 0.36 O ATOM 637 CB ILE A 115 9.299 -3.621 -4.962 1.00 0.36 C ATOM 638 CG1 ILE A 115 10.216 -3.209 -3.805 1.00 0.40 C ATOM 639 CG2 ILE A 115 8.182 -4.532 -4.465 1.00 0.40 C ATOM 640 CD1 ILE A 115 9.510 -2.443 -2.708 1.00 0.43 C ATOM 0 H ILE A 115 11.197 -2.526 -6.116 1.00 0.36 H new ATOM 0 HA ILE A 115 10.641 -5.179 -5.646 1.00 0.35 H new ATOM 0 HB ILE A 115 8.842 -2.724 -5.381 1.00 0.36 H new ATOM 0 HG12 ILE A 115 10.669 -4.103 -3.377 1.00 0.40 H new ATOM 0 HG13 ILE A 115 11.028 -2.597 -4.198 1.00 0.40 H new ATOM 0 HG21 ILE A 115 7.615 -4.021 -3.686 1.00 0.40 H new ATOM 0 HG22 ILE A 115 7.519 -4.780 -5.294 1.00 0.40 H new ATOM 0 HG23 ILE A 115 8.613 -5.447 -4.059 1.00 0.40 H new ATOM 0 HD11 ILE A 115 10.224 -2.187 -1.925 1.00 0.43 H new ATOM 0 HD12 ILE A 115 9.080 -1.530 -3.120 1.00 0.43 H new ATOM 0 HD13 ILE A 115 8.716 -3.060 -2.287 1.00 0.43 H new ATOM 652 N CYS A 116 8.672 -3.883 -7.973 1.00 0.37 N ATOM 653 CA CYS A 116 7.764 -4.238 -9.051 1.00 0.44 C ATOM 654 C CYS A 116 8.469 -5.099 -10.100 1.00 0.45 C ATOM 655 O CYS A 116 7.840 -5.923 -10.759 1.00 0.51 O ATOM 656 CB CYS A 116 7.174 -2.982 -9.694 1.00 0.55 C ATOM 657 SG CYS A 116 6.259 -1.923 -8.546 1.00 1.30 S ATOM 0 H CYS A 116 8.877 -2.886 -7.901 1.00 0.37 H new ATOM 0 HA CYS A 116 6.949 -4.823 -8.626 1.00 0.44 H new ATOM 0 HB2 CYS A 116 7.982 -2.402 -10.141 1.00 0.55 H new ATOM 0 HB3 CYS A 116 6.509 -3.280 -10.505 1.00 0.55 H new ATOM 0 HG CYS A 116 7.095 -1.306 -7.765 1.00 1.30 H new ATOM 663 N ALA A 117 9.776 -4.924 -10.240 1.00 0.45 N ATOM 664 CA ALA A 117 10.563 -5.741 -11.157 1.00 0.50 C ATOM 665 C ALA A 117 10.804 -7.124 -10.564 1.00 0.45 C ATOM 666 O ALA A 117 10.980 -8.100 -11.289 1.00 0.51 O ATOM 667 CB ALA A 117 11.884 -5.063 -11.479 1.00 0.58 C ATOM 0 H ALA A 117 10.315 -4.224 -9.731 1.00 0.45 H new ATOM 0 HA ALA A 117 10.001 -5.855 -12.084 1.00 0.50 H new ATOM 0 HB1 ALA A 117 12.456 -5.688 -12.164 1.00 0.58 H new ATOM 0 HB2 ALA A 117 11.693 -4.096 -11.944 1.00 0.58 H new ATOM 0 HB3 ALA A 117 12.452 -4.918 -10.560 1.00 0.58 H new ATOM 673 N ARG A 118 10.809 -7.198 -9.239 1.00 0.41 N ATOM 674 CA ARG A 118 11.021 -8.459 -8.537 1.00 0.45 C ATOM 675 C ARG A 118 9.827 -9.389 -8.727 1.00 0.51 C ATOM 676 O ARG A 118 9.964 -10.612 -8.675 1.00 0.62 O ATOM 677 CB ARG A 118 11.240 -8.219 -7.039 1.00 0.47 C ATOM 678 CG ARG A 118 12.368 -7.250 -6.709 1.00 0.46 C ATOM 679 CD ARG A 118 13.687 -7.677 -7.334 1.00 0.53 C ATOM 680 NE ARG A 118 14.199 -8.915 -6.750 1.00 1.33 N ATOM 681 CZ ARG A 118 15.228 -9.603 -7.241 1.00 1.75 C ATOM 682 NH1 ARG A 118 15.822 -9.212 -8.364 1.00 1.63 N ATOM 683 NH2 ARG A 118 15.650 -10.699 -6.621 1.00 2.63 N ATOM 0 H ARG A 118 10.668 -6.395 -8.626 1.00 0.41 H new ATOM 0 HA ARG A 118 11.912 -8.925 -8.958 1.00 0.45 H new ATOM 0 HB2 ARG A 118 10.314 -7.839 -6.606 1.00 0.47 H new ATOM 0 HB3 ARG A 118 11.448 -9.175 -6.558 1.00 0.47 H new ATOM 0 HG2 ARG A 118 12.105 -6.253 -7.063 1.00 0.46 H new ATOM 0 HG3 ARG A 118 12.484 -7.184 -5.627 1.00 0.46 H new ATOM 0 HD2 ARG A 118 13.552 -7.812 -8.407 1.00 0.53 H new ATOM 0 HD3 ARG A 118 14.423 -6.884 -7.203 1.00 0.53 H new ATOM 0 HE ARG A 118 13.739 -9.275 -5.914 1.00 1.33 H new ATOM 0 HH11 ARG A 118 15.490 -8.381 -8.854 1.00 1.63 H new ATOM 0 HH12 ARG A 118 16.610 -9.743 -8.736 1.00 1.63 H new ATOM 0 HH21 ARG A 118 15.186 -11.014 -5.769 1.00 2.63 H new ATOM 0 HH22 ARG A 118 16.438 -11.226 -6.997 1.00 2.63 H new ATOM 697 N ILE A 119 8.653 -8.801 -8.931 1.00 0.53 N ATOM 698 CA ILE A 119 7.427 -9.575 -9.091 1.00 0.68 C ATOM 699 C ILE A 119 7.014 -9.687 -10.559 1.00 0.67 C ATOM 700 O ILE A 119 6.213 -10.550 -10.920 1.00 0.91 O ATOM 701 CB ILE A 119 6.270 -8.965 -8.272 1.00 0.80 C ATOM 702 CG1 ILE A 119 6.107 -7.479 -8.605 1.00 0.80 C ATOM 703 CG2 ILE A 119 6.514 -9.165 -6.782 1.00 0.80 C ATOM 704 CD1 ILE A 119 5.030 -6.783 -7.804 1.00 1.05 C ATOM 0 H ILE A 119 8.524 -7.791 -8.989 1.00 0.53 H new ATOM 0 HA ILE A 119 7.638 -10.576 -8.716 1.00 0.68 H new ATOM 0 HB ILE A 119 5.344 -9.476 -8.537 1.00 0.80 H new ATOM 0 HG12 ILE A 119 7.057 -6.973 -8.434 1.00 0.80 H new ATOM 0 HG13 ILE A 119 5.879 -7.378 -9.666 1.00 0.80 H new ATOM 0 HG21 ILE A 119 5.690 -8.730 -6.217 1.00 0.80 H new ATOM 0 HG22 ILE A 119 6.580 -10.231 -6.564 1.00 0.80 H new ATOM 0 HG23 ILE A 119 7.447 -8.678 -6.497 1.00 0.80 H new ATOM 0 HD11 ILE A 119 4.977 -5.735 -8.099 1.00 1.05 H new ATOM 0 HD12 ILE A 119 4.069 -7.262 -7.993 1.00 1.05 H new ATOM 0 HD13 ILE A 119 5.266 -6.850 -6.742 1.00 1.05 H new ATOM 716 N GLY A 120 7.565 -8.821 -11.401 1.00 0.54 N ATOM 717 CA GLY A 120 7.254 -8.869 -12.819 1.00 0.58 C ATOM 718 C GLY A 120 6.127 -7.928 -13.207 1.00 0.67 C ATOM 719 O GLY A 120 5.220 -8.304 -13.954 1.00 1.03 O ATOM 0 H GLY A 120 8.220 -8.088 -11.129 1.00 0.54 H new ATOM 0 HA2 GLY A 120 8.146 -8.615 -13.391 1.00 0.58 H new ATOM 0 HA3 GLY A 120 6.980 -9.888 -13.092 1.00 0.58 H new ATOM 723 N ILE A 121 6.178 -6.708 -12.690 1.00 0.55 N ATOM 724 CA ILE A 121 5.187 -5.691 -13.008 1.00 0.63 C ATOM 725 C ILE A 121 5.861 -4.441 -13.576 1.00 0.83 C ATOM 726 O ILE A 121 5.891 -4.246 -14.791 1.00 1.29 O ATOM 727 CB ILE A 121 4.343 -5.327 -11.759 1.00 0.53 C ATOM 728 CG1 ILE A 121 3.413 -6.491 -11.397 1.00 0.73 C ATOM 729 CG2 ILE A 121 3.546 -4.042 -11.975 1.00 0.64 C ATOM 730 CD1 ILE A 121 2.495 -6.206 -10.227 1.00 0.60 C ATOM 0 H ILE A 121 6.903 -6.397 -12.043 1.00 0.55 H new ATOM 0 HA ILE A 121 4.518 -6.100 -13.765 1.00 0.63 H new ATOM 0 HB ILE A 121 5.026 -5.149 -10.928 1.00 0.53 H new ATOM 0 HG12 ILE A 121 2.807 -6.743 -12.268 1.00 0.73 H new ATOM 0 HG13 ILE A 121 4.018 -7.367 -11.165 1.00 0.73 H new ATOM 0 HG21 ILE A 121 2.967 -3.818 -11.079 1.00 0.64 H new ATOM 0 HG22 ILE A 121 4.231 -3.219 -12.179 1.00 0.64 H new ATOM 0 HG23 ILE A 121 2.871 -4.171 -12.821 1.00 0.64 H new ATOM 0 HD11 ILE A 121 1.870 -7.078 -10.034 1.00 0.60 H new ATOM 0 HD12 ILE A 121 3.092 -5.984 -9.342 1.00 0.60 H new ATOM 0 HD13 ILE A 121 1.862 -5.350 -10.461 1.00 0.60 H new ATOM 742 N THR A 122 6.433 -3.630 -12.688 1.00 1.51 N ATOM 743 CA THR A 122 7.018 -2.340 -13.051 1.00 1.86 C ATOM 744 C THR A 122 6.058 -1.529 -13.926 1.00 1.60 C ATOM 745 O THR A 122 6.224 -1.441 -15.143 1.00 1.93 O ATOM 746 CB THR A 122 8.374 -2.516 -13.762 1.00 2.48 C ATOM 747 OG1 THR A 122 9.165 -3.467 -13.042 1.00 2.82 O ATOM 748 CG2 THR A 122 9.125 -1.193 -13.840 1.00 2.94 C ATOM 0 H THR A 122 6.504 -3.849 -11.694 1.00 1.51 H new ATOM 0 HA THR A 122 7.191 -1.790 -12.126 1.00 1.86 H new ATOM 0 HB THR A 122 8.190 -2.870 -14.776 1.00 2.48 H new ATOM 0 HG1 THR A 122 10.028 -3.583 -13.492 1.00 2.82 H new ATOM 0 HG21 THR A 122 10.078 -1.345 -14.346 1.00 2.94 H new ATOM 0 HG22 THR A 122 8.530 -0.469 -14.397 1.00 2.94 H new ATOM 0 HG23 THR A 122 9.305 -0.817 -12.833 1.00 2.94 H new ATOM 756 N ASN A 123 5.034 -0.969 -13.295 1.00 1.70 N ATOM 757 CA ASN A 123 4.009 -0.213 -14.004 1.00 1.62 C ATOM 758 C ASN A 123 3.459 0.891 -13.115 1.00 1.70 C ATOM 759 O ASN A 123 3.337 0.717 -11.900 1.00 2.45 O ATOM 760 CB ASN A 123 2.858 -1.138 -14.424 1.00 2.23 C ATOM 761 CG ASN A 123 1.784 -0.418 -15.225 1.00 2.56 C ATOM 762 OD1 ASN A 123 0.881 0.215 -14.665 1.00 3.04 O ATOM 763 ND2 ASN A 123 1.853 -0.536 -16.540 1.00 2.99 N ATOM 0 H ASN A 123 4.891 -1.025 -12.287 1.00 1.70 H new ATOM 0 HA ASN A 123 4.464 0.227 -14.892 1.00 1.62 H new ATOM 0 HB2 ASN A 123 3.257 -1.960 -15.018 1.00 2.23 H new ATOM 0 HB3 ASN A 123 2.408 -1.577 -13.534 1.00 2.23 H new ATOM 0 HD21 ASN A 123 1.146 -0.097 -17.129 1.00 2.99 H new ATOM 0 HD22 ASN A 123 2.613 -1.066 -16.965 1.00 2.99 H new ATOM 770 N HIS A 124 3.147 2.028 -13.713 1.00 1.79 N ATOM 771 CA HIS A 124 2.461 3.094 -13.007 1.00 2.42 C ATOM 772 C HIS A 124 1.525 3.838 -13.953 1.00 1.95 C ATOM 773 O HIS A 124 1.627 5.049 -14.136 1.00 2.58 O ATOM 774 CB HIS A 124 3.449 4.058 -12.341 1.00 3.50 C ATOM 775 CG HIS A 124 2.772 5.141 -11.553 1.00 4.50 C ATOM 776 ND1 HIS A 124 1.715 4.905 -10.696 1.00 5.27 N ATOM 777 CD2 HIS A 124 2.979 6.478 -11.528 1.00 5.23 C ATOM 778 CE1 HIS A 124 1.306 6.049 -10.181 1.00 6.25 C ATOM 779 NE2 HIS A 124 2.056 7.017 -10.671 1.00 6.24 N ATOM 0 H HIS A 124 3.359 2.236 -14.689 1.00 1.79 H new ATOM 0 HA HIS A 124 1.866 2.643 -12.213 1.00 2.42 H new ATOM 0 HB2 HIS A 124 4.109 3.495 -11.681 1.00 3.50 H new ATOM 0 HB3 HIS A 124 4.077 4.512 -13.107 1.00 3.50 H new ATOM 0 HD2 HIS A 124 3.732 7.020 -12.081 1.00 5.23 H new ATOM 0 HE1 HIS A 124 0.495 6.172 -9.478 1.00 6.25 H new ATOM 0 HE2 HIS A 124 1.964 8.008 -10.448 1.00 6.24 H new ATOM 788 N ASP A 125 0.633 3.096 -14.575 1.00 1.36 N ATOM 789 CA ASP A 125 -0.435 3.700 -15.353 1.00 1.73 C ATOM 790 C ASP A 125 -1.765 3.249 -14.781 1.00 1.67 C ATOM 791 O ASP A 125 -2.601 4.063 -14.395 1.00 1.95 O ATOM 792 CB ASP A 125 -0.330 3.317 -16.830 1.00 2.22 C ATOM 793 CG ASP A 125 -1.275 4.125 -17.702 1.00 3.00 C ATOM 794 OD1 ASP A 125 -0.944 5.280 -18.043 1.00 3.57 O ATOM 795 OD2 ASP A 125 -2.361 3.610 -18.039 1.00 3.47 O ATOM 0 H ASP A 125 0.624 2.076 -14.559 1.00 1.36 H new ATOM 0 HA ASP A 125 -0.352 4.785 -15.293 1.00 1.73 H new ATOM 0 HB2 ASP A 125 0.694 3.468 -17.171 1.00 2.22 H new ATOM 0 HB3 ASP A 125 -0.551 2.256 -16.945 1.00 2.22 H new ATOM 800 N GLU A 126 -1.925 1.938 -14.691 1.00 1.58 N ATOM 801 CA GLU A 126 -3.121 1.345 -14.116 1.00 1.86 C ATOM 802 C GLU A 126 -2.885 0.998 -12.646 1.00 1.36 C ATOM 803 O GLU A 126 -3.828 0.786 -11.879 1.00 1.70 O ATOM 804 CB GLU A 126 -3.501 0.088 -14.901 1.00 2.55 C ATOM 805 CG GLU A 126 -3.559 0.300 -16.410 1.00 3.40 C ATOM 806 CD GLU A 126 -4.727 1.162 -16.859 1.00 4.27 C ATOM 807 OE1 GLU A 126 -5.013 2.186 -16.210 1.00 4.72 O ATOM 808 OE2 GLU A 126 -5.371 0.813 -17.869 1.00 4.78 O ATOM 0 H GLU A 126 -1.234 1.260 -15.012 1.00 1.58 H new ATOM 0 HA GLU A 126 -3.938 2.064 -14.175 1.00 1.86 H new ATOM 0 HB2 GLU A 126 -2.779 -0.699 -14.681 1.00 2.55 H new ATOM 0 HB3 GLU A 126 -4.472 -0.265 -14.555 1.00 2.55 H new ATOM 0 HG2 GLU A 126 -2.629 0.763 -16.739 1.00 3.40 H new ATOM 0 HG3 GLU A 126 -3.624 -0.670 -16.903 1.00 3.40 H new ATOM 815 N TYR A 127 -1.614 0.953 -12.258 1.00 0.80 N ATOM 816 CA TYR A 127 -1.234 0.588 -10.898 1.00 0.65 C ATOM 817 C TYR A 127 -0.793 1.809 -10.096 1.00 0.67 C ATOM 818 O TYR A 127 -0.041 2.657 -10.586 1.00 1.03 O ATOM 819 CB TYR A 127 -0.108 -0.451 -10.913 1.00 0.93 C ATOM 820 CG TYR A 127 -0.520 -1.798 -11.463 1.00 0.80 C ATOM 821 CD1 TYR A 127 -1.131 -2.745 -10.653 1.00 0.69 C ATOM 822 CD2 TYR A 127 -0.304 -2.117 -12.797 1.00 1.36 C ATOM 823 CE1 TYR A 127 -1.512 -3.974 -11.154 1.00 0.71 C ATOM 824 CE2 TYR A 127 -0.682 -3.343 -13.305 1.00 1.33 C ATOM 825 CZ TYR A 127 -1.267 -4.279 -12.466 1.00 0.74 C ATOM 826 OH TYR A 127 -1.658 -5.491 -12.987 1.00 0.83 O ATOM 0 H TYR A 127 -0.826 1.166 -12.870 1.00 0.80 H new ATOM 0 HA TYR A 127 -2.114 0.159 -10.418 1.00 0.65 H new ATOM 0 HB2 TYR A 127 0.720 -0.065 -11.508 1.00 0.93 H new ATOM 0 HB3 TYR A 127 0.264 -0.583 -9.897 1.00 0.93 H new ATOM 0 HD1 TYR A 127 -1.312 -2.517 -9.613 1.00 0.69 H new ATOM 0 HD2 TYR A 127 0.167 -1.394 -13.447 1.00 1.36 H new ATOM 0 HE1 TYR A 127 -2.002 -4.692 -10.513 1.00 0.71 H new ATOM 0 HE2 TYR A 127 -0.523 -3.572 -14.348 1.00 1.33 H new ATOM 0 HH TYR A 127 -1.405 -5.537 -13.933 1.00 0.83 H new ATOM 836 N SER A 128 -1.268 1.891 -8.862 1.00 0.56 N ATOM 837 CA SER A 128 -0.900 2.970 -7.960 1.00 0.59 C ATOM 838 C SER A 128 -0.566 2.393 -6.587 1.00 0.48 C ATOM 839 O SER A 128 -1.100 1.348 -6.206 1.00 0.49 O ATOM 840 CB SER A 128 -2.043 3.979 -7.858 1.00 0.77 C ATOM 841 OG SER A 128 -2.439 4.417 -9.147 1.00 1.44 O ATOM 0 H SER A 128 -1.917 1.214 -8.460 1.00 0.56 H new ATOM 0 HA SER A 128 -0.022 3.486 -8.348 1.00 0.59 H new ATOM 0 HB2 SER A 128 -2.891 3.525 -7.346 1.00 0.77 H new ATOM 0 HB3 SER A 128 -1.729 4.833 -7.258 1.00 0.77 H new ATOM 0 HG SER A 128 -3.173 5.061 -9.063 1.00 1.44 H new ATOM 847 N LEU A 129 0.315 3.058 -5.849 1.00 0.45 N ATOM 848 CA LEU A 129 0.773 2.524 -4.575 1.00 0.40 C ATOM 849 C LEU A 129 0.153 3.291 -3.425 1.00 0.34 C ATOM 850 O LEU A 129 -0.103 4.486 -3.536 1.00 0.37 O ATOM 851 CB LEU A 129 2.297 2.596 -4.481 1.00 0.46 C ATOM 852 CG LEU A 129 3.052 1.910 -5.616 1.00 0.58 C ATOM 853 CD1 LEU A 129 4.507 2.334 -5.604 1.00 1.02 C ATOM 854 CD2 LEU A 129 2.942 0.400 -5.490 1.00 1.31 C ATOM 0 H LEU A 129 0.722 3.957 -6.108 1.00 0.45 H new ATOM 0 HA LEU A 129 0.463 1.481 -4.513 1.00 0.40 H new ATOM 0 HB2 LEU A 129 2.594 3.644 -4.450 1.00 0.46 H new ATOM 0 HB3 LEU A 129 2.608 2.149 -3.537 1.00 0.46 H new ATOM 0 HG LEU A 129 2.606 2.211 -6.564 1.00 0.58 H new ATOM 0 HD11 LEU A 129 5.037 1.839 -6.418 1.00 1.02 H new ATOM 0 HD12 LEU A 129 4.572 3.414 -5.733 1.00 1.02 H new ATOM 0 HD13 LEU A 129 4.960 2.054 -4.653 1.00 1.02 H new ATOM 0 HD21 LEU A 129 3.486 -0.074 -6.307 1.00 1.31 H new ATOM 0 HD22 LEU A 129 3.368 0.082 -4.538 1.00 1.31 H new ATOM 0 HD23 LEU A 129 1.893 0.107 -5.534 1.00 1.31 H new ATOM 866 N VAL A 130 -0.107 2.599 -2.331 1.00 0.30 N ATOM 867 CA VAL A 130 -0.588 3.251 -1.131 1.00 0.27 C ATOM 868 C VAL A 130 0.310 2.881 0.040 1.00 0.31 C ATOM 869 O VAL A 130 0.842 1.770 0.102 1.00 0.34 O ATOM 870 CB VAL A 130 -2.068 2.894 -0.796 1.00 0.33 C ATOM 871 CG1 VAL A 130 -2.807 2.381 -2.017 1.00 0.51 C ATOM 872 CG2 VAL A 130 -2.175 1.892 0.343 1.00 0.66 C ATOM 0 H VAL A 130 0.007 1.589 -2.250 1.00 0.30 H new ATOM 0 HA VAL A 130 -0.557 4.325 -1.312 1.00 0.27 H new ATOM 0 HB VAL A 130 -2.540 3.820 -0.469 1.00 0.33 H new ATOM 0 HG11 VAL A 130 -3.835 2.142 -1.746 1.00 0.51 H new ATOM 0 HG12 VAL A 130 -2.805 3.147 -2.792 1.00 0.51 H new ATOM 0 HG13 VAL A 130 -2.313 1.484 -2.391 1.00 0.51 H new ATOM 0 HG21 VAL A 130 -3.225 1.675 0.539 1.00 0.66 H new ATOM 0 HG22 VAL A 130 -1.660 0.972 0.068 1.00 0.66 H new ATOM 0 HG23 VAL A 130 -1.717 2.310 1.240 1.00 0.66 H new ATOM 882 N ARG A 131 0.511 3.819 0.941 1.00 0.37 N ATOM 883 CA ARG A 131 1.207 3.528 2.172 1.00 0.44 C ATOM 884 C ARG A 131 0.173 3.117 3.199 1.00 0.48 C ATOM 885 O ARG A 131 -0.668 3.923 3.603 1.00 0.58 O ATOM 886 CB ARG A 131 1.999 4.736 2.663 1.00 0.53 C ATOM 887 CG ARG A 131 3.361 4.371 3.233 1.00 1.14 C ATOM 888 CD ARG A 131 4.011 5.558 3.915 1.00 1.21 C ATOM 889 NE ARG A 131 3.360 5.873 5.183 1.00 0.99 N ATOM 890 CZ ARG A 131 2.502 6.874 5.365 1.00 1.15 C ATOM 891 NH1 ARG A 131 2.295 7.768 4.401 1.00 1.84 N ATOM 892 NH2 ARG A 131 1.873 6.993 6.525 1.00 1.52 N ATOM 0 H ARG A 131 0.203 4.786 0.843 1.00 0.37 H new ATOM 0 HA ARG A 131 1.925 2.725 2.008 1.00 0.44 H new ATOM 0 HB2 ARG A 131 2.134 5.434 1.836 1.00 0.53 H new ATOM 0 HB3 ARG A 131 1.420 5.255 3.427 1.00 0.53 H new ATOM 0 HG2 ARG A 131 3.251 3.554 3.947 1.00 1.14 H new ATOM 0 HG3 ARG A 131 4.007 4.010 2.433 1.00 1.14 H new ATOM 0 HD2 ARG A 131 5.066 5.345 4.090 1.00 1.21 H new ATOM 0 HD3 ARG A 131 3.966 6.426 3.257 1.00 1.21 H new ATOM 0 HE ARG A 131 3.578 5.284 5.987 1.00 0.99 H new ATOM 0 HH11 ARG A 131 2.795 7.689 3.516 1.00 1.84 H new ATOM 0 HH12 ARG A 131 1.636 8.533 4.547 1.00 1.84 H new ATOM 0 HH21 ARG A 131 2.048 6.320 7.271 1.00 1.52 H new ATOM 0 HH22 ARG A 131 1.214 7.758 6.672 1.00 1.52 H new ATOM 906 N GLU A 132 0.209 1.858 3.572 1.00 0.47 N ATOM 907 CA GLU A 132 -0.805 1.289 4.430 1.00 0.57 C ATOM 908 C GLU A 132 -0.370 1.363 5.884 1.00 0.66 C ATOM 909 O GLU A 132 0.758 1.009 6.225 1.00 0.75 O ATOM 910 CB GLU A 132 -1.069 -0.155 4.015 1.00 0.62 C ATOM 911 CG GLU A 132 -2.278 -0.775 4.680 1.00 1.02 C ATOM 912 CD GLU A 132 -2.549 -2.168 4.169 1.00 1.27 C ATOM 913 OE1 GLU A 132 -1.960 -3.125 4.704 1.00 2.12 O ATOM 914 OE2 GLU A 132 -3.358 -2.313 3.224 1.00 1.26 O ATOM 0 H GLU A 132 0.938 1.202 3.291 1.00 0.47 H new ATOM 0 HA GLU A 132 -1.728 1.860 4.327 1.00 0.57 H new ATOM 0 HB2 GLU A 132 -1.202 -0.193 2.934 1.00 0.62 H new ATOM 0 HB3 GLU A 132 -0.190 -0.756 4.249 1.00 0.62 H new ATOM 0 HG2 GLU A 132 -2.122 -0.808 5.758 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -3.151 -0.147 4.503 1.00 1.02 H new ATOM 921 N LEU A 133 -1.271 1.834 6.727 1.00 0.77 N ATOM 922 CA LEU A 133 -0.986 2.005 8.142 1.00 0.97 C ATOM 923 C LEU A 133 -0.890 0.659 8.850 1.00 1.32 C ATOM 924 O LEU A 133 -1.149 -0.395 8.262 1.00 1.55 O ATOM 925 CB LEU A 133 -2.059 2.876 8.808 1.00 1.18 C ATOM 926 CG LEU A 133 -1.879 4.395 8.660 1.00 1.21 C ATOM 927 CD1 LEU A 133 -1.870 4.813 7.198 1.00 1.25 C ATOM 928 CD2 LEU A 133 -2.977 5.129 9.412 1.00 2.00 C ATOM 0 H LEU A 133 -2.215 2.107 6.454 1.00 0.77 H new ATOM 0 HA LEU A 133 -0.022 2.507 8.229 1.00 0.97 H new ATOM 0 HB2 LEU A 133 -3.029 2.603 8.394 1.00 1.18 H new ATOM 0 HB3 LEU A 133 -2.087 2.635 9.871 1.00 1.18 H new ATOM 0 HG LEU A 133 -0.913 4.662 9.089 1.00 1.21 H new ATOM 0 HD11 LEU A 133 -1.741 5.893 7.129 1.00 1.25 H new ATOM 0 HD12 LEU A 133 -1.048 4.316 6.682 1.00 1.25 H new ATOM 0 HD13 LEU A 133 -2.814 4.530 6.733 1.00 1.25 H new ATOM 0 HD21 LEU A 133 -2.839 6.204 9.300 1.00 2.00 H new ATOM 0 HD22 LEU A 133 -3.948 4.844 9.008 1.00 2.00 H new ATOM 0 HD23 LEU A 133 -2.933 4.866 10.469 1.00 2.00 H new ATOM 1531 N ASP A 168 -10.390 2.722 4.003 1.00 1.54 N ATOM 1532 CA ASP A 168 -9.137 3.120 3.372 1.00 1.34 C ATOM 1533 C ASP A 168 -8.517 4.325 4.064 1.00 1.35 C ATOM 1534 O ASP A 168 -7.696 5.038 3.489 1.00 1.56 O ATOM 1535 CB ASP A 168 -9.350 3.413 1.883 1.00 1.54 C ATOM 1536 CG ASP A 168 -10.266 4.596 1.640 1.00 1.75 C ATOM 1537 OD1 ASP A 168 -11.498 4.421 1.713 1.00 2.11 O ATOM 1538 OD2 ASP A 168 -9.761 5.701 1.356 1.00 2.42 O ATOM 0 HA ASP A 168 -8.443 2.285 3.471 1.00 1.34 H new ATOM 0 HB2 ASP A 168 -8.385 3.605 1.414 1.00 1.54 H new ATOM 0 HB3 ASP A 168 -9.769 2.530 1.400 1.00 1.54 H new ATOM 1543 N ASP A 169 -8.889 4.521 5.311 1.00 1.37 N ATOM 1544 CA ASP A 169 -8.248 5.517 6.162 1.00 1.46 C ATOM 1545 C ASP A 169 -6.801 5.109 6.402 1.00 1.24 C ATOM 1546 O ASP A 169 -5.907 5.943 6.531 1.00 1.29 O ATOM 1547 CB ASP A 169 -8.996 5.635 7.492 1.00 1.79 C ATOM 1548 CG ASP A 169 -8.223 6.415 8.538 1.00 2.09 C ATOM 1549 OD1 ASP A 169 -8.140 7.657 8.428 1.00 2.57 O ATOM 1550 OD2 ASP A 169 -7.704 5.785 9.484 1.00 2.35 O ATOM 0 H ASP A 169 -9.639 4.001 5.767 1.00 1.37 H new ATOM 0 HA ASP A 169 -8.273 6.489 5.669 1.00 1.46 H new ATOM 0 HB2 ASP A 169 -9.957 6.121 7.321 1.00 1.79 H new ATOM 0 HB3 ASP A 169 -9.207 4.636 7.874 1.00 1.79 H new ATOM 1555 N GLU A 170 -6.586 3.803 6.419 1.00 1.13 N ATOM 1556 CA GLU A 170 -5.255 3.237 6.577 1.00 1.05 C ATOM 1557 C GLU A 170 -4.547 3.139 5.224 1.00 0.82 C ATOM 1558 O GLU A 170 -3.461 2.579 5.124 1.00 0.83 O ATOM 1559 CB GLU A 170 -5.347 1.856 7.241 1.00 1.23 C ATOM 1560 CG GLU A 170 -6.287 0.894 6.530 1.00 1.87 C ATOM 1561 CD GLU A 170 -6.474 -0.408 7.278 1.00 2.33 C ATOM 1562 OE1 GLU A 170 -7.243 -0.430 8.258 1.00 2.60 O ATOM 1563 OE2 GLU A 170 -5.835 -1.412 6.900 1.00 2.93 O ATOM 0 H GLU A 170 -7.326 3.107 6.324 1.00 1.13 H new ATOM 0 HA GLU A 170 -4.669 3.895 7.218 1.00 1.05 H new ATOM 0 HB2 GLU A 170 -4.351 1.415 7.279 1.00 1.23 H new ATOM 0 HB3 GLU A 170 -5.680 1.980 8.271 1.00 1.23 H new ATOM 0 HG2 GLU A 170 -7.257 1.373 6.397 1.00 1.87 H new ATOM 0 HG3 GLU A 170 -5.897 0.682 5.534 1.00 1.87 H new ATOM 1570 N LEU A 171 -5.170 3.693 4.189 1.00 0.73 N ATOM 1571 CA LEU A 171 -4.592 3.698 2.850 1.00 0.62 C ATOM 1572 C LEU A 171 -4.264 5.121 2.413 1.00 0.57 C ATOM 1573 O LEU A 171 -5.153 5.965 2.309 1.00 0.73 O ATOM 1574 CB LEU A 171 -5.548 3.067 1.825 1.00 0.67 C ATOM 1575 CG LEU A 171 -5.577 1.532 1.770 1.00 0.87 C ATOM 1576 CD1 LEU A 171 -6.165 0.943 3.039 1.00 1.34 C ATOM 1577 CD2 LEU A 171 -6.363 1.064 0.555 1.00 1.16 C ATOM 0 H LEU A 171 -6.081 4.147 4.253 1.00 0.73 H new ATOM 0 HA LEU A 171 -3.677 3.106 2.890 1.00 0.62 H new ATOM 0 HB2 LEU A 171 -6.557 3.420 2.037 1.00 0.67 H new ATOM 0 HB3 LEU A 171 -5.282 3.439 0.836 1.00 0.67 H new ATOM 0 HG LEU A 171 -4.549 1.180 1.685 1.00 0.87 H new ATOM 0 HD11 LEU A 171 -6.171 -0.145 2.967 1.00 1.34 H new ATOM 0 HD12 LEU A 171 -5.562 1.247 3.895 1.00 1.34 H new ATOM 0 HD13 LEU A 171 -7.186 1.303 3.168 1.00 1.34 H new ATOM 0 HD21 LEU A 171 -6.376 -0.026 0.528 1.00 1.16 H new ATOM 0 HD22 LEU A 171 -7.385 1.438 0.617 1.00 1.16 H new ATOM 0 HD23 LEU A 171 -5.892 1.444 -0.352 1.00 1.16 H new ATOM 1589 N ASN A 172 -2.989 5.389 2.171 1.00 0.49 N ATOM 1590 CA ASN A 172 -2.569 6.681 1.639 1.00 0.51 C ATOM 1591 C ASN A 172 -1.913 6.495 0.278 1.00 0.45 C ATOM 1592 O ASN A 172 -0.775 6.042 0.193 1.00 0.48 O ATOM 1593 CB ASN A 172 -1.593 7.374 2.598 1.00 0.66 C ATOM 1594 CG ASN A 172 -1.171 8.750 2.105 1.00 1.58 C ATOM 1595 OD1 ASN A 172 -1.809 9.755 2.416 1.00 1.82 O ATOM 1596 ND2 ASN A 172 -0.098 8.806 1.328 1.00 2.56 N ATOM 0 H ASN A 172 -2.227 4.731 2.334 1.00 0.49 H new ATOM 0 HA ASN A 172 -3.452 7.311 1.530 1.00 0.51 H new ATOM 0 HB2 ASN A 172 -2.059 7.470 3.579 1.00 0.66 H new ATOM 0 HB3 ASN A 172 -0.708 6.750 2.725 1.00 0.66 H new ATOM 0 HD21 ASN A 172 0.224 9.704 0.967 1.00 2.56 H new ATOM 0 HD22 ASN A 172 0.406 7.951 1.092 1.00 2.56 H new ATOM 1603 N TRP A 173 -2.632 6.840 -0.780 1.00 0.45 N ATOM 1604 CA TRP A 173 -2.139 6.656 -2.141 1.00 0.46 C ATOM 1605 C TRP A 173 -1.006 7.633 -2.447 1.00 0.56 C ATOM 1606 O TRP A 173 -1.130 8.834 -2.195 1.00 0.69 O ATOM 1607 CB TRP A 173 -3.270 6.858 -3.154 1.00 0.48 C ATOM 1608 CG TRP A 173 -4.405 5.884 -3.017 1.00 0.46 C ATOM 1609 CD1 TRP A 173 -5.441 5.950 -2.130 1.00 0.54 C ATOM 1610 CD2 TRP A 173 -4.625 4.706 -3.802 1.00 0.48 C ATOM 1611 NE1 TRP A 173 -6.289 4.887 -2.314 1.00 0.60 N ATOM 1612 CE2 TRP A 173 -5.810 4.108 -3.332 1.00 0.55 C ATOM 1613 CE3 TRP A 173 -3.937 4.100 -4.855 1.00 0.54 C ATOM 1614 CZ2 TRP A 173 -6.318 2.932 -3.878 1.00 0.63 C ATOM 1615 CZ3 TRP A 173 -4.441 2.931 -5.395 1.00 0.62 C ATOM 1616 CH2 TRP A 173 -5.623 2.359 -4.908 1.00 0.64 C ATOM 0 H TRP A 173 -3.564 7.251 -0.723 1.00 0.45 H new ATOM 0 HA TRP A 173 -1.760 5.637 -2.222 1.00 0.46 H new ATOM 0 HB2 TRP A 173 -3.661 7.870 -3.048 1.00 0.48 H new ATOM 0 HB3 TRP A 173 -2.859 6.779 -4.160 1.00 0.48 H new ATOM 0 HD1 TRP A 173 -5.574 6.726 -1.391 1.00 0.54 H new ATOM 0 HE1 TRP A 173 -7.138 4.707 -1.779 1.00 0.60 H new ATOM 0 HE3 TRP A 173 -3.028 4.536 -5.241 1.00 0.54 H new ATOM 0 HZ2 TRP A 173 -7.228 2.488 -3.502 1.00 0.63 H new ATOM 0 HZ3 TRP A 173 -3.914 2.451 -6.206 1.00 0.62 H new ATOM 0 HH2 TRP A 173 -5.993 1.448 -5.354 1.00 0.64 H new ATOM 1627 N LEU A 174 0.091 7.123 -2.993 1.00 0.53 N ATOM 1628 CA LEU A 174 1.216 7.969 -3.357 1.00 0.65 C ATOM 1629 C LEU A 174 1.834 7.546 -4.689 1.00 0.61 C ATOM 1630 O LEU A 174 1.595 6.435 -5.190 1.00 0.62 O ATOM 1631 CB LEU A 174 2.290 8.052 -2.231 1.00 0.72 C ATOM 1632 CG LEU A 174 3.017 6.758 -1.769 1.00 0.64 C ATOM 1633 CD1 LEU A 174 2.056 5.716 -1.238 1.00 0.53 C ATOM 1634 CD2 LEU A 174 3.889 6.161 -2.862 1.00 0.67 C ATOM 0 H LEU A 174 0.224 6.131 -3.192 1.00 0.53 H new ATOM 0 HA LEU A 174 0.816 8.975 -3.484 1.00 0.65 H new ATOM 0 HB2 LEU A 174 3.054 8.756 -2.560 1.00 0.72 H new ATOM 0 HB3 LEU A 174 1.811 8.488 -1.354 1.00 0.72 H new ATOM 0 HG LEU A 174 3.668 7.064 -0.950 1.00 0.64 H new ATOM 0 HD11 LEU A 174 2.613 4.832 -0.928 1.00 0.53 H new ATOM 0 HD12 LEU A 174 1.515 6.122 -0.383 1.00 0.53 H new ATOM 0 HD13 LEU A 174 1.347 5.443 -2.020 1.00 0.53 H new ATOM 0 HD21 LEU A 174 4.374 5.259 -2.488 1.00 0.67 H new ATOM 0 HD22 LEU A 174 3.271 5.910 -3.724 1.00 0.67 H new ATOM 0 HD23 LEU A 174 4.648 6.885 -3.158 1.00 0.67 H new ATOM 1646 N ASP A 175 2.615 8.459 -5.252 1.00 0.76 N ATOM 1647 CA ASP A 175 3.321 8.233 -6.503 1.00 0.80 C ATOM 1648 C ASP A 175 4.772 7.863 -6.197 1.00 0.77 C ATOM 1649 O ASP A 175 5.165 7.808 -5.036 1.00 0.98 O ATOM 1650 CB ASP A 175 3.263 9.505 -7.362 1.00 1.07 C ATOM 1651 CG ASP A 175 3.460 9.240 -8.841 1.00 1.93 C ATOM 1652 OD1 ASP A 175 4.604 8.970 -9.263 1.00 2.79 O ATOM 1653 OD2 ASP A 175 2.469 9.305 -9.593 1.00 2.39 O ATOM 0 H ASP A 175 2.776 9.382 -4.850 1.00 0.76 H new ATOM 0 HA ASP A 175 2.852 7.418 -7.054 1.00 0.80 H new ATOM 0 HB2 ASP A 175 2.299 9.992 -7.213 1.00 1.07 H new ATOM 0 HB3 ASP A 175 4.029 10.201 -7.020 1.00 1.07 H new ATOM 1658 N HIS A 176 5.575 7.627 -7.222 1.00 0.76 N ATOM 1659 CA HIS A 176 6.966 7.254 -7.007 1.00 0.85 C ATOM 1660 C HIS A 176 7.791 8.466 -6.608 1.00 1.05 C ATOM 1661 O HIS A 176 8.803 8.333 -5.918 1.00 1.99 O ATOM 1662 CB HIS A 176 7.573 6.602 -8.249 1.00 0.87 C ATOM 1663 CG HIS A 176 7.086 5.209 -8.506 1.00 0.84 C ATOM 1664 ND1 HIS A 176 6.990 4.661 -9.767 1.00 1.07 N ATOM 1665 CD2 HIS A 176 6.687 4.241 -7.649 1.00 0.81 C ATOM 1666 CE1 HIS A 176 6.551 3.420 -9.674 1.00 1.03 C ATOM 1667 NE2 HIS A 176 6.360 3.139 -8.400 1.00 0.82 N ATOM 0 H HIS A 176 5.293 7.686 -8.201 1.00 0.76 H new ATOM 0 HA HIS A 176 6.984 6.525 -6.197 1.00 0.85 H new ATOM 0 HB2 HIS A 176 7.348 7.220 -9.118 1.00 0.87 H new ATOM 0 HB3 HIS A 176 8.658 6.583 -8.143 1.00 0.87 H new ATOM 0 HD1 HIS A 176 7.222 5.140 -10.637 1.00 1.07 H new ATOM 0 HD2 HIS A 176 6.635 4.320 -6.573 1.00 0.81 H new ATOM 0 HE1 HIS A 176 6.377 2.748 -10.502 1.00 1.03 H new ATOM 1676 N GLY A 177 7.339 9.647 -7.028 1.00 0.93 N ATOM 1677 CA GLY A 177 8.033 10.882 -6.699 1.00 0.94 C ATOM 1678 C GLY A 177 7.855 11.273 -5.243 1.00 0.95 C ATOM 1679 O GLY A 177 7.392 12.371 -4.929 1.00 1.16 O ATOM 0 H GLY A 177 6.499 9.770 -7.594 1.00 0.93 H new ATOM 0 HA2 GLY A 177 9.095 10.768 -6.915 1.00 0.94 H new ATOM 0 HA3 GLY A 177 7.663 11.685 -7.336 1.00 0.94 H new ATOM 1683 N ARG A 178 8.239 10.370 -4.358 1.00 0.81 N ATOM 1684 CA ARG A 178 8.090 10.555 -2.930 1.00 0.89 C ATOM 1685 C ARG A 178 9.326 10.036 -2.219 1.00 0.62 C ATOM 1686 O ARG A 178 9.930 9.048 -2.641 1.00 0.64 O ATOM 1687 CB ARG A 178 6.853 9.812 -2.411 1.00 1.22 C ATOM 1688 CG ARG A 178 5.529 10.444 -2.810 1.00 1.50 C ATOM 1689 CD ARG A 178 5.398 11.849 -2.250 1.00 1.27 C ATOM 1690 NE ARG A 178 4.042 12.375 -2.380 1.00 1.32 N ATOM 1691 CZ ARG A 178 3.674 13.584 -1.952 1.00 1.66 C ATOM 1692 NH1 ARG A 178 4.578 14.414 -1.443 1.00 2.09 N ATOM 1693 NH2 ARG A 178 2.404 13.963 -2.041 1.00 2.11 N ATOM 0 H ARG A 178 8.667 9.480 -4.615 1.00 0.81 H new ATOM 0 HA ARG A 178 7.966 11.619 -2.730 1.00 0.89 H new ATOM 0 HB2 ARG A 178 6.878 8.787 -2.780 1.00 1.22 H new ATOM 0 HB3 ARG A 178 6.904 9.761 -1.323 1.00 1.22 H new ATOM 0 HG2 ARG A 178 5.451 10.475 -3.897 1.00 1.50 H new ATOM 0 HG3 ARG A 178 4.706 9.828 -2.449 1.00 1.50 H new ATOM 0 HD2 ARG A 178 5.685 11.846 -1.198 1.00 1.27 H new ATOM 0 HD3 ARG A 178 6.093 12.510 -2.768 1.00 1.27 H new ATOM 0 HE ARG A 178 3.337 11.785 -2.823 1.00 1.32 H new ATOM 0 HH11 ARG A 178 5.555 14.127 -1.379 1.00 2.09 H new ATOM 0 HH12 ARG A 178 4.295 15.338 -1.116 1.00 2.09 H new ATOM 0 HH21 ARG A 178 1.709 13.330 -2.437 1.00 2.11 H new ATOM 0 HH22 ARG A 178 2.123 14.887 -1.714 1.00 2.11 H new ATOM 1707 N THR A 179 9.710 10.710 -1.156 1.00 0.57 N ATOM 1708 CA THR A 179 10.831 10.276 -0.353 1.00 0.61 C ATOM 1709 C THR A 179 10.343 9.674 0.959 1.00 0.61 C ATOM 1710 O THR A 179 9.172 9.826 1.331 1.00 0.56 O ATOM 1711 CB THR A 179 11.785 11.450 -0.068 1.00 0.83 C ATOM 1712 OG1 THR A 179 11.088 12.486 0.630 1.00 0.90 O ATOM 1713 CG2 THR A 179 12.345 12.011 -1.362 1.00 0.91 C ATOM 0 H THR A 179 9.260 11.564 -0.828 1.00 0.57 H new ATOM 0 HA THR A 179 11.374 9.514 -0.913 1.00 0.61 H new ATOM 0 HB THR A 179 12.607 11.081 0.545 1.00 0.83 H new ATOM 0 HG1 THR A 179 10.572 13.021 -0.009 1.00 0.90 H new ATOM 0 HG21 THR A 179 13.017 12.840 -1.139 1.00 0.91 H new ATOM 0 HG22 THR A 179 12.894 11.231 -1.889 1.00 0.91 H new ATOM 0 HG23 THR A 179 11.527 12.366 -1.989 1.00 0.91 H new ATOM 1721 N LEU A 180 11.232 8.993 1.659 1.00 0.80 N ATOM 1722 CA LEU A 180 10.888 8.383 2.935 1.00 0.90 C ATOM 1723 C LEU A 180 10.712 9.459 3.999 1.00 0.91 C ATOM 1724 O LEU A 180 9.956 9.288 4.953 1.00 0.95 O ATOM 1725 CB LEU A 180 11.964 7.379 3.381 1.00 1.22 C ATOM 1726 CG LEU A 180 11.997 6.033 2.636 1.00 1.41 C ATOM 1727 CD1 LEU A 180 10.661 5.320 2.748 1.00 2.05 C ATOM 1728 CD2 LEU A 180 12.382 6.216 1.177 1.00 2.08 C ATOM 0 H LEU A 180 12.198 8.847 1.367 1.00 0.80 H new ATOM 0 HA LEU A 180 9.950 7.843 2.807 1.00 0.90 H new ATOM 0 HB2 LEU A 180 12.939 7.853 3.272 1.00 1.22 H new ATOM 0 HB3 LEU A 180 11.824 7.178 4.443 1.00 1.22 H new ATOM 0 HG LEU A 180 12.760 5.414 3.109 1.00 1.41 H new ATOM 0 HD11 LEU A 180 10.709 4.371 2.214 1.00 2.05 H new ATOM 0 HD12 LEU A 180 10.435 5.134 3.798 1.00 2.05 H new ATOM 0 HD13 LEU A 180 9.879 5.942 2.313 1.00 2.05 H new ATOM 0 HD21 LEU A 180 12.396 5.246 0.680 1.00 2.08 H new ATOM 0 HD22 LEU A 180 11.655 6.864 0.687 1.00 2.08 H new ATOM 0 HD23 LEU A 180 13.371 6.669 1.116 1.00 2.08 H new ATOM 1740 N ARG A 181 11.398 10.576 3.817 1.00 0.99 N ATOM 1741 CA ARG A 181 11.354 11.666 4.783 1.00 1.14 C ATOM 1742 C ARG A 181 10.038 12.440 4.711 1.00 1.04 C ATOM 1743 O ARG A 181 9.538 12.920 5.729 1.00 1.14 O ATOM 1744 CB ARG A 181 12.533 12.619 4.565 1.00 1.37 C ATOM 1745 CG ARG A 181 12.602 13.203 3.166 1.00 1.60 C ATOM 1746 CD ARG A 181 13.813 14.102 2.990 1.00 2.05 C ATOM 1747 NE ARG A 181 13.857 14.693 1.654 1.00 2.91 N ATOM 1748 CZ ARG A 181 14.897 15.366 1.168 1.00 3.63 C ATOM 1749 NH1 ARG A 181 15.994 15.527 1.894 1.00 3.63 N ATOM 1750 NH2 ARG A 181 14.833 15.880 -0.051 1.00 4.63 N ATOM 0 H ARG A 181 11.994 10.753 3.008 1.00 0.99 H new ATOM 0 HA ARG A 181 11.425 11.223 5.776 1.00 1.14 H new ATOM 0 HB2 ARG A 181 12.466 13.434 5.285 1.00 1.37 H new ATOM 0 HB3 ARG A 181 13.461 12.086 4.772 1.00 1.37 H new ATOM 0 HG2 ARG A 181 12.640 12.394 2.436 1.00 1.60 H new ATOM 0 HG3 ARG A 181 11.694 13.772 2.964 1.00 1.60 H new ATOM 0 HD2 ARG A 181 13.790 14.894 3.738 1.00 2.05 H new ATOM 0 HD3 ARG A 181 14.722 13.526 3.164 1.00 2.05 H new ATOM 0 HE ARG A 181 13.038 14.583 1.056 1.00 2.91 H new ATOM 0 HH11 ARG A 181 16.046 15.134 2.834 1.00 3.63 H new ATOM 0 HH12 ARG A 181 16.786 16.044 1.513 1.00 3.63 H new ATOM 0 HH21 ARG A 181 13.990 15.759 -0.612 1.00 4.63 H new ATOM 0 HH22 ARG A 181 15.627 16.397 -0.429 1.00 4.63 H new ATOM 1764 N GLU A 182 9.473 12.560 3.518 1.00 0.93 N ATOM 1765 CA GLU A 182 8.277 13.371 3.337 1.00 0.98 C ATOM 1766 C GLU A 182 7.005 12.565 3.580 1.00 0.98 C ATOM 1767 O GLU A 182 5.976 13.122 3.954 1.00 1.16 O ATOM 1768 CB GLU A 182 8.247 13.991 1.941 1.00 0.96 C ATOM 1769 CG GLU A 182 8.150 12.973 0.824 1.00 1.17 C ATOM 1770 CD GLU A 182 8.242 13.608 -0.544 1.00 1.52 C ATOM 1771 OE1 GLU A 182 7.201 14.017 -1.085 1.00 1.91 O ATOM 1772 OE2 GLU A 182 9.360 13.693 -1.087 1.00 1.94 O ATOM 0 H GLU A 182 9.818 12.112 2.669 1.00 0.93 H new ATOM 0 HA GLU A 182 8.315 14.170 4.078 1.00 0.98 H new ATOM 0 HB2 GLU A 182 7.399 14.672 1.874 1.00 0.96 H new ATOM 0 HB3 GLU A 182 9.148 14.588 1.799 1.00 0.96 H new ATOM 0 HG2 GLU A 182 8.948 12.239 0.935 1.00 1.17 H new ATOM 0 HG3 GLU A 182 7.207 12.434 0.909 1.00 1.17 H new ATOM 1779 N GLN A 183 7.073 11.253 3.377 1.00 0.90 N ATOM 1780 CA GLN A 183 5.881 10.416 3.517 1.00 1.02 C ATOM 1781 C GLN A 183 6.220 8.940 3.723 1.00 1.23 C ATOM 1782 O GLN A 183 5.373 8.185 4.181 1.00 1.48 O ATOM 1783 CB GLN A 183 4.992 10.557 2.279 1.00 1.06 C ATOM 1784 CG GLN A 183 5.518 9.792 1.083 1.00 1.27 C ATOM 1785 CD GLN A 183 4.900 8.412 0.945 1.00 1.41 C ATOM 1786 OE1 GLN A 183 3.753 8.185 1.332 1.00 2.02 O ATOM 1787 NE2 GLN A 183 5.668 7.476 0.408 1.00 1.34 N ATOM 0 H GLN A 183 7.923 10.751 3.120 1.00 0.90 H new ATOM 0 HA GLN A 183 5.355 10.764 4.406 1.00 1.02 H new ATOM 0 HB2 GLN A 183 3.989 10.204 2.517 1.00 1.06 H new ATOM 0 HB3 GLN A 183 4.905 11.612 2.019 1.00 1.06 H new ATOM 0 HG2 GLN A 183 5.321 10.365 0.177 1.00 1.27 H new ATOM 0 HG3 GLN A 183 6.600 9.693 1.169 1.00 1.27 H new ATOM 0 HE21 GLN A 183 6.613 7.706 0.100 1.00 1.34 H new ATOM 0 HE22 GLN A 183 5.315 6.525 0.302 1.00 1.34 H new ATOM 1796 N GLY A 184 7.430 8.520 3.343 1.00 1.33 N ATOM 1797 CA GLY A 184 7.805 7.118 3.474 1.00 1.78 C ATOM 1798 C GLY A 184 7.663 6.628 4.897 1.00 1.49 C ATOM 1799 O GLY A 184 7.158 5.532 5.130 1.00 1.85 O ATOM 0 H GLY A 184 8.153 9.123 2.949 1.00 1.33 H new ATOM 0 HA2 GLY A 184 7.181 6.512 2.817 1.00 1.78 H new ATOM 0 HA3 GLY A 184 8.836 6.985 3.145 1.00 1.78 H new ATOM 1803 N VAL A 185 8.132 7.459 5.827 1.00 1.10 N ATOM 1804 CA VAL A 185 7.940 7.282 7.267 1.00 1.23 C ATOM 1805 C VAL A 185 8.327 5.877 7.758 1.00 1.12 C ATOM 1806 O VAL A 185 9.117 5.178 7.119 1.00 1.54 O ATOM 1807 CB VAL A 185 6.495 7.661 7.698 1.00 1.51 C ATOM 1808 CG1 VAL A 185 6.090 8.991 7.070 1.00 1.70 C ATOM 1809 CG2 VAL A 185 5.486 6.579 7.357 1.00 1.63 C ATOM 0 H VAL A 185 8.669 8.294 5.595 1.00 1.10 H new ATOM 0 HA VAL A 185 8.628 7.973 7.755 1.00 1.23 H new ATOM 0 HB VAL A 185 6.496 7.762 8.783 1.00 1.51 H new ATOM 0 HG11 VAL A 185 5.076 9.246 7.379 1.00 1.70 H new ATOM 0 HG12 VAL A 185 6.776 9.772 7.398 1.00 1.70 H new ATOM 0 HG13 VAL A 185 6.128 8.907 5.984 1.00 1.70 H new ATOM 0 HG21 VAL A 185 4.493 6.893 7.679 1.00 1.63 H new ATOM 0 HG22 VAL A 185 5.482 6.411 6.280 1.00 1.63 H new ATOM 0 HG23 VAL A 185 5.757 5.655 7.867 1.00 1.63 H new ATOM 1819 N GLU A 186 7.816 5.514 8.932 1.00 1.26 N ATOM 1820 CA GLU A 186 8.089 4.230 9.565 1.00 1.39 C ATOM 1821 C GLU A 186 7.890 3.055 8.615 1.00 1.49 C ATOM 1822 O GLU A 186 6.907 2.990 7.883 1.00 2.04 O ATOM 1823 CB GLU A 186 7.185 4.060 10.785 1.00 1.52 C ATOM 1824 CG GLU A 186 7.579 4.925 11.970 1.00 1.57 C ATOM 1825 CD GLU A 186 7.526 6.413 11.684 1.00 2.21 C ATOM 1826 OE1 GLU A 186 6.430 7.000 11.753 1.00 2.87 O ATOM 1827 OE2 GLU A 186 8.588 7.003 11.397 1.00 2.48 O ATOM 0 H GLU A 186 7.193 6.112 9.476 1.00 1.26 H new ATOM 0 HA GLU A 186 9.137 4.231 9.864 1.00 1.39 H new ATOM 0 HB2 GLU A 186 6.160 4.296 10.501 1.00 1.52 H new ATOM 0 HB3 GLU A 186 7.198 3.014 11.091 1.00 1.52 H new ATOM 0 HG2 GLU A 186 6.918 4.701 12.807 1.00 1.57 H new ATOM 0 HG3 GLU A 186 8.589 4.660 12.282 1.00 1.57 H new ATOM 1834 N GLU A 187 8.813 2.104 8.669 1.00 1.26 N ATOM 1835 CA GLU A 187 8.779 0.956 7.772 1.00 1.33 C ATOM 1836 C GLU A 187 7.780 -0.101 8.246 1.00 1.35 C ATOM 1837 O GLU A 187 7.657 -1.165 7.633 1.00 1.49 O ATOM 1838 CB GLU A 187 10.174 0.348 7.622 1.00 1.44 C ATOM 1839 CG GLU A 187 10.801 -0.114 8.926 1.00 1.45 C ATOM 1840 CD GLU A 187 12.205 -0.643 8.723 1.00 1.45 C ATOM 1841 OE1 GLU A 187 13.152 0.171 8.690 1.00 1.90 O ATOM 1842 OE2 GLU A 187 12.371 -1.870 8.563 1.00 1.53 O ATOM 0 H GLU A 187 9.595 2.105 9.324 1.00 1.26 H new ATOM 0 HA GLU A 187 8.446 1.311 6.797 1.00 1.33 H new ATOM 0 HB2 GLU A 187 10.116 -0.501 6.940 1.00 1.44 H new ATOM 0 HB3 GLU A 187 10.830 1.085 7.158 1.00 1.44 H new ATOM 0 HG2 GLU A 187 10.825 0.717 9.631 1.00 1.45 H new ATOM 0 HG3 GLU A 187 10.181 -0.892 9.371 1.00 1.45 H new ATOM 1849 N HIS A 188 7.071 0.182 9.338 1.00 1.31 N ATOM 1850 CA HIS A 188 5.979 -0.686 9.762 1.00 1.39 C ATOM 1851 C HIS A 188 4.756 -0.416 8.892 1.00 1.20 C ATOM 1852 O HIS A 188 3.781 -1.165 8.917 1.00 1.24 O ATOM 1853 CB HIS A 188 5.640 -0.509 11.260 1.00 1.61 C ATOM 1854 CG HIS A 188 4.908 0.759 11.621 1.00 1.70 C ATOM 1855 ND1 HIS A 188 5.416 1.705 12.485 1.00 1.87 N ATOM 1856 CD2 HIS A 188 3.683 1.214 11.258 1.00 1.78 C ATOM 1857 CE1 HIS A 188 4.538 2.680 12.634 1.00 2.02 C ATOM 1858 NE2 HIS A 188 3.478 2.406 11.898 1.00 1.98 N ATOM 0 H HIS A 188 7.231 0.993 9.936 1.00 1.31 H new ATOM 0 HA HIS A 188 6.297 -1.721 9.636 1.00 1.39 H new ATOM 0 HB2 HIS A 188 5.036 -1.358 11.579 1.00 1.61 H new ATOM 0 HB3 HIS A 188 6.568 -0.545 11.830 1.00 1.61 H new ATOM 0 HD2 HIS A 188 2.994 0.724 10.586 1.00 1.78 H new ATOM 0 HE1 HIS A 188 4.666 3.555 13.254 1.00 2.02 H new ATOM 0 HE2 HIS A 188 2.643 2.987 11.819 1.00 1.98 H new ATOM 1867 N GLU A 189 4.821 0.679 8.147 1.00 1.06 N ATOM 1868 CA GLU A 189 3.768 1.042 7.217 1.00 0.92 C ATOM 1869 C GLU A 189 3.966 0.266 5.913 1.00 0.81 C ATOM 1870 O GLU A 189 4.971 0.440 5.221 1.00 1.08 O ATOM 1871 CB GLU A 189 3.797 2.557 6.971 1.00 0.90 C ATOM 1872 CG GLU A 189 3.836 3.382 8.256 1.00 1.26 C ATOM 1873 CD GLU A 189 2.478 3.884 8.708 1.00 2.13 C ATOM 1874 OE1 GLU A 189 2.075 4.989 8.278 1.00 2.47 O ATOM 1875 OE2 GLU A 189 1.827 3.198 9.527 1.00 2.73 O ATOM 0 H GLU A 189 5.601 1.335 8.172 1.00 1.06 H new ATOM 0 HA GLU A 189 2.793 0.786 7.631 1.00 0.92 H new ATOM 0 HB2 GLU A 189 4.669 2.802 6.365 1.00 0.90 H new ATOM 0 HB3 GLU A 189 2.917 2.840 6.393 1.00 0.90 H new ATOM 0 HG2 GLU A 189 4.271 2.777 9.051 1.00 1.26 H new ATOM 0 HG3 GLU A 189 4.497 4.236 8.107 1.00 1.26 H new ATOM 1882 N THR A 190 3.017 -0.605 5.605 1.00 0.56 N ATOM 1883 CA THR A 190 3.132 -1.516 4.471 1.00 0.44 C ATOM 1884 C THR A 190 2.917 -0.788 3.142 1.00 0.40 C ATOM 1885 O THR A 190 2.121 0.142 3.060 1.00 0.47 O ATOM 1886 CB THR A 190 2.091 -2.648 4.602 1.00 0.36 C ATOM 1887 OG1 THR A 190 2.097 -3.159 5.941 1.00 0.45 O ATOM 1888 CG2 THR A 190 2.376 -3.785 3.629 1.00 0.36 C ATOM 0 H THR A 190 2.148 -0.702 6.130 1.00 0.56 H new ATOM 0 HA THR A 190 4.140 -1.930 4.478 1.00 0.44 H new ATOM 0 HB THR A 190 1.113 -2.230 4.364 1.00 0.36 H new ATOM 0 HG1 THR A 190 1.434 -3.876 6.020 1.00 0.45 H new ATOM 0 HG21 THR A 190 1.623 -4.564 3.749 1.00 0.36 H new ATOM 0 HG22 THR A 190 2.346 -3.406 2.607 1.00 0.36 H new ATOM 0 HG23 THR A 190 3.363 -4.200 3.833 1.00 0.36 H new ATOM 1896 N LEU A 191 3.628 -1.199 2.101 1.00 0.38 N ATOM 1897 CA LEU A 191 3.388 -0.649 0.774 1.00 0.36 C ATOM 1898 C LEU A 191 2.368 -1.501 0.034 1.00 0.32 C ATOM 1899 O LEU A 191 2.652 -2.628 -0.367 1.00 0.35 O ATOM 1900 CB LEU A 191 4.683 -0.536 -0.038 1.00 0.43 C ATOM 1901 CG LEU A 191 5.448 0.785 0.122 1.00 0.57 C ATOM 1902 CD1 LEU A 191 4.549 1.969 -0.205 1.00 0.97 C ATOM 1903 CD2 LEU A 191 6.019 0.918 1.526 1.00 0.90 C ATOM 0 H LEU A 191 4.366 -1.902 2.147 1.00 0.38 H new ATOM 0 HA LEU A 191 2.992 0.359 0.897 1.00 0.36 H new ATOM 0 HB2 LEU A 191 5.343 -1.355 0.247 1.00 0.43 H new ATOM 0 HB3 LEU A 191 4.443 -0.672 -1.093 1.00 0.43 H new ATOM 0 HG LEU A 191 6.280 0.780 -0.582 1.00 0.57 H new ATOM 0 HD11 LEU A 191 5.110 2.896 -0.085 1.00 0.97 H new ATOM 0 HD12 LEU A 191 4.199 1.887 -1.234 1.00 0.97 H new ATOM 0 HD13 LEU A 191 3.693 1.973 0.470 1.00 0.97 H new ATOM 0 HD21 LEU A 191 6.556 1.863 1.612 1.00 0.90 H new ATOM 0 HD22 LEU A 191 5.207 0.894 2.253 1.00 0.90 H new ATOM 0 HD23 LEU A 191 6.704 0.092 1.720 1.00 0.90 H new ATOM 1915 N LEU A 192 1.181 -0.952 -0.125 1.00 0.31 N ATOM 1916 CA LEU A 192 0.079 -1.651 -0.765 1.00 0.32 C ATOM 1917 C LEU A 192 0.035 -1.296 -2.241 1.00 0.37 C ATOM 1918 O LEU A 192 0.113 -0.123 -2.607 1.00 0.38 O ATOM 1919 CB LEU A 192 -1.234 -1.250 -0.072 1.00 0.39 C ATOM 1920 CG LEU A 192 -2.525 -1.973 -0.498 1.00 0.58 C ATOM 1921 CD1 LEU A 192 -3.098 -1.380 -1.774 1.00 1.10 C ATOM 1922 CD2 LEU A 192 -2.292 -3.461 -0.675 1.00 1.34 C ATOM 0 H LEU A 192 0.950 -0.008 0.185 1.00 0.31 H new ATOM 0 HA LEU A 192 0.217 -2.729 -0.676 1.00 0.32 H new ATOM 0 HB2 LEU A 192 -1.105 -1.400 1.000 1.00 0.39 H new ATOM 0 HB3 LEU A 192 -1.382 -0.182 -0.229 1.00 0.39 H new ATOM 0 HG LEU A 192 -3.250 -1.830 0.303 1.00 0.58 H new ATOM 0 HD11 LEU A 192 -4.009 -1.914 -2.046 1.00 1.10 H new ATOM 0 HD12 LEU A 192 -3.329 -0.327 -1.614 1.00 1.10 H new ATOM 0 HD13 LEU A 192 -2.368 -1.474 -2.578 1.00 1.10 H new ATOM 0 HD21 LEU A 192 -3.223 -3.942 -0.976 1.00 1.34 H new ATOM 0 HD22 LEU A 192 -1.536 -3.622 -1.443 1.00 1.34 H new ATOM 0 HD23 LEU A 192 -1.950 -3.890 0.267 1.00 1.34 H new ATOM 1934 N LEU A 193 -0.072 -2.303 -3.083 1.00 0.48 N ATOM 1935 CA LEU A 193 -0.247 -2.076 -4.499 1.00 0.58 C ATOM 1936 C LEU A 193 -1.635 -2.524 -4.926 1.00 0.61 C ATOM 1937 O LEU A 193 -1.973 -3.704 -4.841 1.00 0.64 O ATOM 1938 CB LEU A 193 0.827 -2.807 -5.311 1.00 0.65 C ATOM 1939 CG LEU A 193 0.614 -2.800 -6.830 1.00 0.76 C ATOM 1940 CD1 LEU A 193 0.460 -1.378 -7.349 1.00 1.36 C ATOM 1941 CD2 LEU A 193 1.768 -3.501 -7.531 1.00 1.47 C ATOM 0 H LEU A 193 -0.041 -3.285 -2.810 1.00 0.48 H new ATOM 0 HA LEU A 193 -0.142 -1.009 -4.693 1.00 0.58 H new ATOM 0 HB2 LEU A 193 1.795 -2.355 -5.094 1.00 0.65 H new ATOM 0 HB3 LEU A 193 0.875 -3.842 -4.972 1.00 0.65 H new ATOM 0 HG LEU A 193 -0.306 -3.342 -7.048 1.00 0.76 H new ATOM 0 HD11 LEU A 193 0.310 -1.399 -8.428 1.00 1.36 H new ATOM 0 HD12 LEU A 193 -0.400 -0.908 -6.872 1.00 1.36 H new ATOM 0 HD13 LEU A 193 1.360 -0.807 -7.119 1.00 1.36 H new ATOM 0 HD21 LEU A 193 1.602 -3.487 -8.608 1.00 1.47 H new ATOM 0 HD22 LEU A 193 2.700 -2.985 -7.301 1.00 1.47 H new ATOM 0 HD23 LEU A 193 1.830 -4.533 -7.186 1.00 1.47 H new ATOM 1953 N ARG A 194 -2.435 -1.577 -5.377 1.00 0.67 N ATOM 1954 CA ARG A 194 -3.799 -1.864 -5.772 1.00 0.73 C ATOM 1955 C ARG A 194 -4.078 -1.295 -7.152 1.00 0.79 C ATOM 1956 O ARG A 194 -3.719 -0.153 -7.451 1.00 0.92 O ATOM 1957 CB ARG A 194 -4.773 -1.280 -4.748 1.00 0.83 C ATOM 1958 CG ARG A 194 -6.230 -1.621 -5.015 1.00 0.96 C ATOM 1959 CD ARG A 194 -7.126 -1.179 -3.867 1.00 1.01 C ATOM 1960 NE ARG A 194 -6.740 -1.801 -2.597 1.00 1.54 N ATOM 1961 CZ ARG A 194 -7.299 -2.910 -2.106 1.00 2.04 C ATOM 1962 NH1 ARG A 194 -8.277 -3.522 -2.770 1.00 2.27 N ATOM 1963 NH2 ARG A 194 -6.884 -3.400 -0.942 1.00 2.86 N ATOM 0 H ARG A 194 -2.162 -0.600 -5.479 1.00 0.67 H new ATOM 0 HA ARG A 194 -3.936 -2.945 -5.810 1.00 0.73 H new ATOM 0 HB2 ARG A 194 -4.502 -1.642 -3.756 1.00 0.83 H new ATOM 0 HB3 ARG A 194 -4.661 -0.196 -4.733 1.00 0.83 H new ATOM 0 HG2 ARG A 194 -6.554 -1.139 -5.937 1.00 0.96 H new ATOM 0 HG3 ARG A 194 -6.332 -2.696 -5.164 1.00 0.96 H new ATOM 0 HD2 ARG A 194 -7.080 -0.094 -3.768 1.00 1.01 H new ATOM 0 HD3 ARG A 194 -8.161 -1.434 -4.096 1.00 1.01 H new ATOM 0 HE ARG A 194 -5.998 -1.359 -2.054 1.00 1.54 H new ATOM 0 HH11 ARG A 194 -8.604 -3.144 -3.659 1.00 2.27 H new ATOM 0 HH12 ARG A 194 -8.700 -4.369 -2.389 1.00 2.27 H new ATOM 0 HH21 ARG A 194 -6.141 -2.929 -0.426 1.00 2.86 H new ATOM 0 HH22 ARG A 194 -7.309 -4.247 -0.564 1.00 2.86 H new ATOM 1977 N ARG A 195 -4.706 -2.092 -7.996 1.00 0.85 N ATOM 1978 CA ARG A 195 -5.054 -1.644 -9.327 1.00 0.94 C ATOM 1979 C ARG A 195 -6.428 -0.994 -9.305 1.00 1.05 C ATOM 1980 O ARG A 195 -7.454 -1.667 -9.403 1.00 1.43 O ATOM 1981 CB ARG A 195 -5.015 -2.803 -10.321 1.00 1.08 C ATOM 1982 CG ARG A 195 -5.342 -2.387 -11.744 1.00 1.07 C ATOM 1983 CD ARG A 195 -5.204 -3.547 -12.712 1.00 1.26 C ATOM 1984 NE ARG A 195 -5.969 -4.718 -12.289 1.00 1.14 N ATOM 1985 CZ ARG A 195 -7.258 -4.913 -12.566 1.00 1.41 C ATOM 1986 NH1 ARG A 195 -7.961 -3.971 -13.181 1.00 1.79 N ATOM 1987 NH2 ARG A 195 -7.856 -6.041 -12.204 1.00 2.01 N ATOM 0 H ARG A 195 -4.984 -3.050 -7.782 1.00 0.85 H new ATOM 0 HA ARG A 195 -4.320 -0.907 -9.653 1.00 0.94 H new ATOM 0 HB2 ARG A 195 -4.024 -3.256 -10.301 1.00 1.08 H new ATOM 0 HB3 ARG A 195 -5.722 -3.569 -10.003 1.00 1.08 H new ATOM 0 HG2 ARG A 195 -6.359 -1.998 -11.785 1.00 1.07 H new ATOM 0 HG3 ARG A 195 -4.678 -1.578 -12.048 1.00 1.07 H new ATOM 0 HD2 ARG A 195 -5.540 -3.234 -13.700 1.00 1.26 H new ATOM 0 HD3 ARG A 195 -4.152 -3.817 -12.804 1.00 1.26 H new ATOM 0 HE ARG A 195 -5.485 -5.433 -11.746 1.00 1.14 H new ATOM 0 HH11 ARG A 195 -7.515 -3.092 -13.444 1.00 1.79 H new ATOM 0 HH12 ARG A 195 -8.947 -4.126 -13.391 1.00 1.79 H new ATOM 0 HH21 ARG A 195 -7.329 -6.762 -11.712 1.00 2.01 H new ATOM 0 HH22 ARG A 195 -8.843 -6.187 -12.418 1.00 2.01 H new ATOM 2001 N LYS A 196 -6.430 0.316 -9.119 1.00 1.10 N ATOM 2002 CA LYS A 196 -7.661 1.088 -9.088 1.00 1.22 C ATOM 2003 C LYS A 196 -8.134 1.369 -10.507 1.00 1.40 C ATOM 2004 O LYS A 196 -9.332 1.396 -10.784 1.00 2.26 O ATOM 2005 CB LYS A 196 -7.430 2.399 -8.336 1.00 1.40 C ATOM 2006 CG LYS A 196 -6.394 3.297 -8.994 1.00 1.16 C ATOM 2007 CD LYS A 196 -6.094 4.525 -8.161 1.00 1.16 C ATOM 2008 CE LYS A 196 -7.359 5.296 -7.826 1.00 1.32 C ATOM 2009 NZ LYS A 196 -7.075 6.607 -7.191 1.00 1.72 N ATOM 0 H LYS A 196 -5.584 0.871 -8.986 1.00 1.10 H new ATOM 0 HA LYS A 196 -8.431 0.516 -8.571 1.00 1.22 H new ATOM 0 HB2 LYS A 196 -8.374 2.939 -8.263 1.00 1.40 H new ATOM 0 HB3 LYS A 196 -7.112 2.174 -7.318 1.00 1.40 H new ATOM 0 HG2 LYS A 196 -5.475 2.733 -9.152 1.00 1.16 H new ATOM 0 HG3 LYS A 196 -6.753 3.604 -9.976 1.00 1.16 H new ATOM 0 HD2 LYS A 196 -5.594 4.227 -7.239 1.00 1.16 H new ATOM 0 HD3 LYS A 196 -5.405 5.173 -8.702 1.00 1.16 H new ATOM 0 HE2 LYS A 196 -7.936 5.455 -8.737 1.00 1.32 H new ATOM 0 HE3 LYS A 196 -7.978 4.699 -7.157 1.00 1.32 H new ATOM 0 HZ1 LYS A 196 -7.971 7.093 -6.982 1.00 1.72 H new ATOM 0 HZ2 LYS A 196 -6.548 6.458 -6.307 1.00 1.72 H new ATOM 0 HZ3 LYS A 196 -6.507 7.190 -7.838 1.00 1.72 H new