USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 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 116 CYS SG : rot 8:sc= -1.94! USER MOD Set 1.2: A 123 ASN : amide:sc= -0.0869 K(o=-2,f=-4.3) USER MOD Set 2.1: A 107 THR OG1 : rot -160:sc= -0.911 USER MOD Set 2.2: A 109 THR OG1 : rot 180:sc= -0.792 USER MOD Set 3.1: A 89 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0) USER MOD Set 3.2: A 99 THR OG1 : rot 155:sc= 1.1 USER MOD Single : A 85 MET CE :methyl -160:sc= -0.208 (180deg=-0.908) USER MOD Single : A 92 MET CE :methyl 151:sc= -2.61! (180deg=-5.06!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -153:sc= -1.35 (180deg=-1.48) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 167:sc= -0.014 (180deg=-0.185) USER MOD Single : A 111 MET CE :methyl -144:sc= -0.14 (180deg=-1.59) USER MOD Single : A 113 MET CE :methyl -158:sc= -0.257 (180deg=-1.04) USER MOD Single : A 114 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HE2:sc= 1.02 K(o=1,f=-6!) 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= -2.63! K(o=-2.6!,f=-0.27) USER MOD Single : A 176 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.66) USER MOD Single : A 179 THR OG1 : rot -73:sc= 0.776 USER MOD Single : A 183 GLN : amide:sc= -4.27! C(o=-4.3!,f=-9.4!) USER MOD Single : A 188 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-0.11) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ -159:sc= -0.106 (180deg=-0.595) USER MOD ----------------------------------------------------------------- ATOM 141 N MET A 85 20.177 -2.014 3.196 1.00 1.73 N ATOM 142 CA MET A 85 19.445 -3.200 2.790 1.00 1.50 C ATOM 143 C MET A 85 18.460 -3.588 3.882 1.00 1.22 C ATOM 144 O MET A 85 18.862 -3.938 4.993 1.00 1.24 O ATOM 145 CB MET A 85 20.406 -4.357 2.511 1.00 1.69 C ATOM 146 CG MET A 85 21.394 -4.071 1.391 1.00 2.17 C ATOM 147 SD MET A 85 22.538 -5.437 1.099 1.00 2.25 S ATOM 148 CE MET A 85 23.303 -5.589 2.712 1.00 2.83 C ATOM 0 HA MET A 85 18.899 -2.981 1.872 1.00 1.50 H new ATOM 0 HB2 MET A 85 20.959 -4.587 3.422 1.00 1.69 H new ATOM 0 HB3 MET A 85 19.828 -5.245 2.256 1.00 1.69 H new ATOM 0 HG2 MET A 85 20.845 -3.861 0.473 1.00 2.17 H new ATOM 0 HG3 MET A 85 21.962 -3.173 1.635 1.00 2.17 H new ATOM 0 HE1 MET A 85 24.251 -6.119 2.617 1.00 2.83 H new ATOM 0 HE2 MET A 85 23.482 -4.596 3.125 1.00 2.83 H new ATOM 0 HE3 MET A 85 22.642 -6.144 3.377 1.00 2.83 H new ATOM 158 N ARG A 86 17.179 -3.503 3.571 1.00 1.11 N ATOM 159 CA ARG A 86 16.135 -3.758 4.549 1.00 1.09 C ATOM 160 C ARG A 86 14.997 -4.575 3.953 1.00 0.90 C ATOM 161 O ARG A 86 14.709 -4.475 2.762 1.00 0.83 O ATOM 162 CB ARG A 86 15.576 -2.445 5.096 1.00 1.42 C ATOM 163 CG ARG A 86 14.994 -1.532 4.029 1.00 1.04 C ATOM 164 CD ARG A 86 14.026 -0.533 4.635 1.00 1.23 C ATOM 165 NE ARG A 86 13.601 0.482 3.676 1.00 1.82 N ATOM 166 CZ ARG A 86 12.396 1.043 3.668 1.00 2.48 C ATOM 167 NH1 ARG A 86 11.465 0.648 4.528 1.00 2.60 N ATOM 168 NH2 ARG A 86 12.126 1.995 2.791 1.00 3.32 N ATOM 0 H ARG A 86 16.835 -3.258 2.643 1.00 1.11 H new ATOM 0 HA ARG A 86 16.588 -4.329 5.359 1.00 1.09 H new ATOM 0 HB2 ARG A 86 14.802 -2.669 5.830 1.00 1.42 H new ATOM 0 HB3 ARG A 86 16.370 -1.914 5.621 1.00 1.42 H new ATOM 0 HG2 ARG A 86 15.799 -1.001 3.521 1.00 1.04 H new ATOM 0 HG3 ARG A 86 14.481 -2.129 3.275 1.00 1.04 H new ATOM 0 HD2 ARG A 86 13.151 -1.062 5.012 1.00 1.23 H new ATOM 0 HD3 ARG A 86 14.497 -0.047 5.489 1.00 1.23 H new ATOM 0 HE ARG A 86 14.271 0.780 2.967 1.00 1.82 H new ATOM 0 HH11 ARG A 86 11.672 -0.090 5.201 1.00 2.60 H new ATOM 0 HH12 ARG A 86 10.542 1.083 4.516 1.00 2.60 H new ATOM 0 HH21 ARG A 86 12.840 2.294 2.127 1.00 3.32 H new ATOM 0 HH22 ARG A 86 11.204 2.430 2.779 1.00 3.32 H new ATOM 182 N PRO A 87 14.352 -5.407 4.775 1.00 0.91 N ATOM 183 CA PRO A 87 13.144 -6.124 4.379 1.00 0.80 C ATOM 184 C PRO A 87 11.915 -5.217 4.421 1.00 0.73 C ATOM 185 O PRO A 87 11.621 -4.598 5.447 1.00 0.88 O ATOM 186 CB PRO A 87 13.034 -7.227 5.429 1.00 0.99 C ATOM 187 CG PRO A 87 13.674 -6.656 6.647 1.00 1.24 C ATOM 188 CD PRO A 87 14.754 -5.724 6.160 1.00 1.12 C ATOM 0 HA PRO A 87 13.194 -6.499 3.357 1.00 0.80 H new ATOM 0 HB2 PRO A 87 11.994 -7.493 5.616 1.00 0.99 H new ATOM 0 HB3 PRO A 87 13.542 -8.135 5.104 1.00 0.99 H new ATOM 0 HG2 PRO A 87 12.944 -6.121 7.255 1.00 1.24 H new ATOM 0 HG3 PRO A 87 14.093 -7.445 7.272 1.00 1.24 H new ATOM 0 HD2 PRO A 87 14.813 -4.826 6.774 1.00 1.12 H new ATOM 0 HD3 PRO A 87 15.735 -6.198 6.193 1.00 1.12 H new ATOM 196 N LEU A 88 11.210 -5.116 3.309 1.00 0.56 N ATOM 197 CA LEU A 88 10.000 -4.313 3.262 1.00 0.53 C ATOM 198 C LEU A 88 8.789 -5.199 3.025 1.00 0.42 C ATOM 199 O LEU A 88 8.837 -6.134 2.223 1.00 0.40 O ATOM 200 CB LEU A 88 10.096 -3.249 2.166 1.00 0.58 C ATOM 201 CG LEU A 88 8.911 -2.280 2.083 1.00 1.02 C ATOM 202 CD1 LEU A 88 8.771 -1.489 3.377 1.00 1.45 C ATOM 203 CD2 LEU A 88 9.076 -1.339 0.899 1.00 1.60 C ATOM 0 H LEU A 88 11.451 -5.576 2.431 1.00 0.56 H new ATOM 0 HA LEU A 88 9.888 -3.809 4.222 1.00 0.53 H new ATOM 0 HB2 LEU A 88 11.006 -2.670 2.324 1.00 0.58 H new ATOM 0 HB3 LEU A 88 10.201 -3.751 1.204 1.00 0.58 H new ATOM 0 HG LEU A 88 8.001 -2.863 1.938 1.00 1.02 H new ATOM 0 HD11 LEU A 88 7.924 -0.807 3.297 1.00 1.45 H new ATOM 0 HD12 LEU A 88 8.607 -2.176 4.207 1.00 1.45 H new ATOM 0 HD13 LEU A 88 9.682 -0.917 3.554 1.00 1.45 H new ATOM 0 HD21 LEU A 88 8.226 -0.658 0.855 1.00 1.60 H new ATOM 0 HD22 LEU A 88 9.995 -0.765 1.016 1.00 1.60 H new ATOM 0 HD23 LEU A 88 9.125 -1.919 -0.023 1.00 1.60 H new ATOM 215 N LYS A 89 7.714 -4.911 3.741 1.00 0.41 N ATOM 216 CA LYS A 89 6.477 -5.652 3.586 1.00 0.36 C ATOM 217 C LYS A 89 5.600 -4.974 2.545 1.00 0.30 C ATOM 218 O LYS A 89 4.964 -3.955 2.822 1.00 0.33 O ATOM 219 CB LYS A 89 5.731 -5.741 4.921 1.00 0.46 C ATOM 220 CG LYS A 89 6.554 -6.349 6.049 1.00 0.63 C ATOM 221 CD LYS A 89 6.878 -7.812 5.789 1.00 1.12 C ATOM 222 CE LYS A 89 7.739 -8.395 6.899 1.00 1.44 C ATOM 223 NZ LYS A 89 7.952 -9.857 6.735 1.00 2.13 N ATOM 0 H LYS A 89 7.675 -4.166 4.437 1.00 0.41 H new ATOM 0 HA LYS A 89 6.714 -6.663 3.255 1.00 0.36 H new ATOM 0 HB2 LYS A 89 5.412 -4.741 5.215 1.00 0.46 H new ATOM 0 HB3 LYS A 89 4.828 -6.335 4.782 1.00 0.46 H new ATOM 0 HG2 LYS A 89 7.481 -5.787 6.166 1.00 0.63 H new ATOM 0 HG3 LYS A 89 6.006 -6.260 6.987 1.00 0.63 H new ATOM 0 HD2 LYS A 89 5.953 -8.382 5.707 1.00 1.12 H new ATOM 0 HD3 LYS A 89 7.397 -7.907 4.835 1.00 1.12 H new ATOM 0 HE2 LYS A 89 8.704 -7.888 6.912 1.00 1.44 H new ATOM 0 HE3 LYS A 89 7.265 -8.204 7.862 1.00 1.44 H new ATOM 0 HZ1 LYS A 89 8.796 -10.147 7.269 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 7.122 -10.371 7.094 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 8.087 -10.077 5.728 1.00 2.13 H new ATOM 237 N ILE A 90 5.593 -5.518 1.341 1.00 0.27 N ATOM 238 CA ILE A 90 4.761 -4.983 0.280 1.00 0.26 C ATOM 239 C ILE A 90 3.545 -5.871 0.077 1.00 0.26 C ATOM 240 O ILE A 90 3.620 -7.088 0.243 1.00 0.37 O ATOM 241 CB ILE A 90 5.545 -4.805 -1.049 1.00 0.33 C ATOM 242 CG1 ILE A 90 6.290 -6.083 -1.457 1.00 0.41 C ATOM 243 CG2 ILE A 90 6.524 -3.647 -0.930 1.00 0.43 C ATOM 244 CD1 ILE A 90 5.452 -7.066 -2.245 1.00 0.50 C ATOM 0 H ILE A 90 6.153 -6.328 1.075 1.00 0.27 H new ATOM 0 HA ILE A 90 4.432 -3.990 0.585 1.00 0.26 H new ATOM 0 HB ILE A 90 4.816 -4.588 -1.829 1.00 0.33 H new ATOM 0 HG12 ILE A 90 7.161 -5.808 -2.051 1.00 0.41 H new ATOM 0 HG13 ILE A 90 6.660 -6.577 -0.558 1.00 0.41 H new ATOM 0 HG21 ILE A 90 7.068 -3.532 -1.868 1.00 0.43 H new ATOM 0 HG22 ILE A 90 5.977 -2.729 -0.713 1.00 0.43 H new ATOM 0 HG23 ILE A 90 7.230 -3.848 -0.124 1.00 0.43 H new ATOM 0 HD11 ILE A 90 6.054 -7.940 -2.493 1.00 0.50 H new ATOM 0 HD12 ILE A 90 4.594 -7.374 -1.647 1.00 0.50 H new ATOM 0 HD13 ILE A 90 5.104 -6.593 -3.163 1.00 0.50 H new ATOM 256 N ARG A 91 2.420 -5.264 -0.248 1.00 0.23 N ATOM 257 CA ARG A 91 1.190 -6.007 -0.422 1.00 0.29 C ATOM 258 C ARG A 91 0.641 -5.787 -1.823 1.00 0.37 C ATOM 259 O ARG A 91 0.201 -4.691 -2.170 1.00 0.39 O ATOM 260 CB ARG A 91 0.168 -5.598 0.639 1.00 0.35 C ATOM 261 CG ARG A 91 -0.964 -6.595 0.795 1.00 0.51 C ATOM 262 CD ARG A 91 -1.862 -6.249 1.970 1.00 0.67 C ATOM 263 NE ARG A 91 -2.785 -7.340 2.282 1.00 1.05 N ATOM 264 CZ ARG A 91 -3.758 -7.261 3.187 1.00 1.32 C ATOM 265 NH1 ARG A 91 -3.961 -6.133 3.862 1.00 1.20 N ATOM 266 NH2 ARG A 91 -4.532 -8.315 3.418 1.00 2.24 N ATOM 0 H ARG A 91 2.334 -4.259 -0.397 1.00 0.23 H new ATOM 0 HA ARG A 91 1.396 -7.070 -0.299 1.00 0.29 H new ATOM 0 HB2 ARG A 91 0.675 -5.481 1.597 1.00 0.35 H new ATOM 0 HB3 ARG A 91 -0.247 -4.625 0.378 1.00 0.35 H new ATOM 0 HG2 ARG A 91 -1.556 -6.619 -0.120 1.00 0.51 H new ATOM 0 HG3 ARG A 91 -0.552 -7.594 0.934 1.00 0.51 H new ATOM 0 HD2 ARG A 91 -1.249 -6.029 2.844 1.00 0.67 H new ATOM 0 HD3 ARG A 91 -2.429 -5.346 1.742 1.00 0.67 H new ATOM 0 HE ARG A 91 -2.676 -8.218 1.774 1.00 1.05 H new ATOM 0 HH11 ARG A 91 -3.369 -5.321 3.688 1.00 1.20 H new ATOM 0 HH12 ARG A 91 -4.709 -6.080 4.554 1.00 1.20 H new ATOM 0 HH21 ARG A 91 -4.380 -9.182 2.903 1.00 2.24 H new ATOM 0 HH22 ARG A 91 -5.278 -8.258 4.111 1.00 2.24 H new ATOM 280 N MET A 92 0.698 -6.832 -2.629 1.00 0.54 N ATOM 281 CA MET A 92 0.296 -6.753 -4.024 1.00 0.67 C ATOM 282 C MET A 92 -1.204 -6.955 -4.210 1.00 0.64 C ATOM 283 O MET A 92 -1.950 -7.118 -3.241 1.00 0.92 O ATOM 284 CB MET A 92 1.075 -7.774 -4.848 1.00 0.88 C ATOM 285 CG MET A 92 2.546 -7.440 -4.943 1.00 1.00 C ATOM 286 SD MET A 92 2.820 -5.835 -5.710 1.00 1.34 S ATOM 287 CE MET A 92 4.499 -5.511 -5.195 1.00 1.05 C ATOM 0 H MET A 92 1.022 -7.755 -2.339 1.00 0.54 H new ATOM 0 HA MET A 92 0.527 -5.747 -4.374 1.00 0.67 H new ATOM 0 HB2 MET A 92 0.958 -8.762 -4.402 1.00 0.88 H new ATOM 0 HB3 MET A 92 0.652 -7.825 -5.851 1.00 0.88 H new ATOM 0 HG2 MET A 92 2.985 -7.446 -3.945 1.00 1.00 H new ATOM 0 HG3 MET A 92 3.057 -8.211 -5.520 1.00 1.00 H new ATOM 0 HE1 MET A 92 4.993 -4.885 -5.938 1.00 1.05 H new ATOM 0 HE2 MET A 92 4.492 -4.996 -4.234 1.00 1.05 H new ATOM 0 HE3 MET A 92 5.038 -6.453 -5.098 1.00 1.05 H new ATOM 297 N LEU A 93 -1.605 -6.970 -5.479 1.00 0.74 N ATOM 298 CA LEU A 93 -3.007 -6.994 -5.905 1.00 0.79 C ATOM 299 C LEU A 93 -3.845 -8.037 -5.174 1.00 1.05 C ATOM 300 O LEU A 93 -4.931 -7.734 -4.681 1.00 1.17 O ATOM 301 CB LEU A 93 -3.057 -7.261 -7.399 1.00 0.75 C ATOM 302 CG LEU A 93 -2.373 -6.196 -8.243 1.00 0.89 C ATOM 303 CD1 LEU A 93 -1.900 -6.798 -9.543 1.00 1.49 C ATOM 304 CD2 LEU A 93 -3.315 -5.032 -8.504 1.00 1.23 C ATOM 0 H LEU A 93 -0.950 -6.966 -6.261 1.00 0.74 H new ATOM 0 HA LEU A 93 -3.437 -6.023 -5.659 1.00 0.79 H new ATOM 0 HB2 LEU A 93 -2.590 -8.225 -7.601 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -4.099 -7.341 -7.708 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.510 -5.815 -7.697 1.00 0.89 H new ATOM 0 HD11 LEU A 93 -1.411 -6.030 -10.143 1.00 1.49 H new ATOM 0 HD12 LEU A 93 -1.193 -7.602 -9.336 1.00 1.49 H new ATOM 0 HD13 LEU A 93 -2.753 -7.198 -10.091 1.00 1.49 H new ATOM 0 HD21 LEU A 93 -2.807 -4.281 -9.109 1.00 1.23 H new ATOM 0 HD22 LEU A 93 -4.197 -5.390 -9.035 1.00 1.23 H new ATOM 0 HD23 LEU A 93 -3.618 -4.589 -7.555 1.00 1.23 H new ATOM 316 N ASP A 94 -3.334 -9.261 -5.101 1.00 1.47 N ATOM 317 CA ASP A 94 -4.074 -10.372 -4.494 1.00 1.97 C ATOM 318 C ASP A 94 -4.124 -10.252 -2.972 1.00 1.17 C ATOM 319 O ASP A 94 -4.638 -11.140 -2.287 1.00 1.38 O ATOM 320 CB ASP A 94 -3.438 -11.716 -4.865 1.00 2.91 C ATOM 321 CG ASP A 94 -3.465 -12.002 -6.351 1.00 3.61 C ATOM 322 OD1 ASP A 94 -2.532 -11.577 -7.062 1.00 4.21 O ATOM 323 OD2 ASP A 94 -4.436 -12.632 -6.824 1.00 3.80 O ATOM 0 H ASP A 94 -2.411 -9.514 -5.453 1.00 1.47 H new ATOM 0 HA ASP A 94 -5.091 -10.325 -4.884 1.00 1.97 H new ATOM 0 HB2 ASP A 94 -2.405 -11.729 -4.518 1.00 2.91 H new ATOM 0 HB3 ASP A 94 -3.961 -12.515 -4.339 1.00 2.91 H new ATOM 328 N GLY A 95 -3.587 -9.159 -2.448 1.00 0.66 N ATOM 329 CA GLY A 95 -3.500 -8.986 -1.014 1.00 1.19 C ATOM 330 C GLY A 95 -2.246 -9.625 -0.470 1.00 1.02 C ATOM 331 O GLY A 95 -2.010 -9.635 0.738 1.00 1.18 O ATOM 0 H GLY A 95 -3.208 -8.386 -2.995 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -3.507 -7.924 -0.771 1.00 1.19 H new ATOM 0 HA3 GLY A 95 -4.375 -9.428 -0.537 1.00 1.19 H new ATOM 335 N THR A 96 -1.445 -10.159 -1.382 1.00 0.83 N ATOM 336 CA THR A 96 -0.226 -10.855 -1.051 1.00 0.83 C ATOM 337 C THR A 96 0.813 -9.944 -0.411 1.00 0.62 C ATOM 338 O THR A 96 1.256 -8.973 -1.022 1.00 0.62 O ATOM 339 CB THR A 96 0.367 -11.452 -2.330 1.00 1.12 C ATOM 340 OG1 THR A 96 -0.572 -11.300 -3.408 1.00 1.55 O ATOM 341 CG2 THR A 96 0.674 -12.915 -2.129 1.00 1.67 C ATOM 0 H THR A 96 -1.633 -10.116 -2.384 1.00 0.83 H new ATOM 0 HA THR A 96 -0.478 -11.630 -0.327 1.00 0.83 H new ATOM 0 HB THR A 96 1.292 -10.928 -2.572 1.00 1.12 H new ATOM 0 HG1 THR A 96 -0.193 -11.680 -4.228 1.00 1.55 H new ATOM 0 HG21 THR A 96 1.095 -13.328 -3.046 1.00 1.67 H new ATOM 0 HG22 THR A 96 1.392 -13.028 -1.317 1.00 1.67 H new ATOM 0 HG23 THR A 96 -0.243 -13.448 -1.879 1.00 1.67 H new ATOM 349 N VAL A 97 1.202 -10.268 0.811 1.00 0.56 N ATOM 350 CA VAL A 97 2.302 -9.575 1.459 1.00 0.46 C ATOM 351 C VAL A 97 3.596 -10.333 1.223 1.00 0.46 C ATOM 352 O VAL A 97 3.752 -11.471 1.669 1.00 0.57 O ATOM 353 CB VAL A 97 2.089 -9.412 2.976 1.00 0.54 C ATOM 354 CG1 VAL A 97 3.296 -8.725 3.606 1.00 0.69 C ATOM 355 CG2 VAL A 97 0.815 -8.634 3.259 1.00 0.96 C ATOM 0 H VAL A 97 0.774 -11.004 1.372 1.00 0.56 H new ATOM 0 HA VAL A 97 2.351 -8.578 1.020 1.00 0.46 H new ATOM 0 HB VAL A 97 1.984 -10.401 3.421 1.00 0.54 H new ATOM 0 HG11 VAL A 97 3.134 -8.615 4.678 1.00 0.69 H new ATOM 0 HG12 VAL A 97 4.188 -9.327 3.434 1.00 0.69 H new ATOM 0 HG13 VAL A 97 3.430 -7.741 3.157 1.00 0.69 H new ATOM 0 HG21 VAL A 97 0.684 -8.530 4.336 1.00 0.96 H new ATOM 0 HG22 VAL A 97 0.884 -7.645 2.805 1.00 0.96 H new ATOM 0 HG23 VAL A 97 -0.038 -9.167 2.839 1.00 0.96 H new ATOM 365 N LYS A 98 4.506 -9.709 0.506 1.00 0.43 N ATOM 366 CA LYS A 98 5.786 -10.317 0.217 1.00 0.49 C ATOM 367 C LYS A 98 6.899 -9.513 0.872 1.00 0.45 C ATOM 368 O LYS A 98 6.896 -8.281 0.828 1.00 0.40 O ATOM 369 CB LYS A 98 6.011 -10.374 -1.294 1.00 0.56 C ATOM 370 CG LYS A 98 6.958 -11.474 -1.738 1.00 0.68 C ATOM 371 CD LYS A 98 6.352 -12.844 -1.499 1.00 1.20 C ATOM 372 CE LYS A 98 7.182 -13.942 -2.140 1.00 1.69 C ATOM 373 NZ LYS A 98 6.555 -15.277 -1.966 1.00 1.78 N ATOM 0 H LYS A 98 4.382 -8.777 0.111 1.00 0.43 H new ATOM 0 HA LYS A 98 5.793 -11.332 0.615 1.00 0.49 H new ATOM 0 HB2 LYS A 98 5.050 -10.515 -1.789 1.00 0.56 H new ATOM 0 HB3 LYS A 98 6.404 -9.414 -1.629 1.00 0.56 H new ATOM 0 HG2 LYS A 98 7.189 -11.354 -2.797 1.00 0.68 H new ATOM 0 HG3 LYS A 98 7.899 -11.389 -1.195 1.00 0.68 H new ATOM 0 HD2 LYS A 98 6.273 -13.026 -0.427 1.00 1.20 H new ATOM 0 HD3 LYS A 98 5.340 -12.870 -1.902 1.00 1.20 H new ATOM 0 HE2 LYS A 98 7.304 -13.733 -3.203 1.00 1.69 H new ATOM 0 HE3 LYS A 98 8.179 -13.948 -1.700 1.00 1.69 H new ATOM 0 HZ1 LYS A 98 7.150 -16.001 -2.416 1.00 1.78 H new ATOM 0 HZ2 LYS A 98 6.462 -15.487 -0.952 1.00 1.78 H new ATOM 0 HZ3 LYS A 98 5.613 -15.279 -2.408 1.00 1.78 H new ATOM 387 N THR A 99 7.825 -10.208 1.502 1.00 0.52 N ATOM 388 CA THR A 99 8.994 -9.569 2.073 1.00 0.55 C ATOM 389 C THR A 99 10.097 -9.466 1.024 1.00 0.54 C ATOM 390 O THR A 99 10.753 -10.458 0.698 1.00 0.65 O ATOM 391 CB THR A 99 9.507 -10.354 3.288 1.00 0.69 C ATOM 392 OG1 THR A 99 8.415 -10.635 4.175 1.00 0.78 O ATOM 393 CG2 THR A 99 10.584 -9.574 4.029 1.00 0.76 C ATOM 0 H THR A 99 7.790 -11.219 1.632 1.00 0.52 H new ATOM 0 HA THR A 99 8.711 -8.569 2.401 1.00 0.55 H new ATOM 0 HB THR A 99 9.944 -11.288 2.935 1.00 0.69 H new ATOM 0 HG1 THR A 99 8.622 -11.432 4.707 1.00 0.78 H new ATOM 0 HG21 THR A 99 10.929 -10.154 4.885 1.00 0.76 H new ATOM 0 HG22 THR A 99 11.422 -9.383 3.358 1.00 0.76 H new ATOM 0 HG23 THR A 99 10.173 -8.626 4.375 1.00 0.76 H new ATOM 401 N ILE A 100 10.281 -8.273 0.485 1.00 0.47 N ATOM 402 CA ILE A 100 11.264 -8.054 -0.564 1.00 0.51 C ATOM 403 C ILE A 100 12.468 -7.285 -0.027 1.00 0.53 C ATOM 404 O ILE A 100 12.324 -6.388 0.809 1.00 0.55 O ATOM 405 CB ILE A 100 10.638 -7.313 -1.766 1.00 0.55 C ATOM 406 CG1 ILE A 100 9.601 -8.221 -2.437 1.00 0.62 C ATOM 407 CG2 ILE A 100 11.704 -6.877 -2.769 1.00 0.63 C ATOM 408 CD1 ILE A 100 9.030 -7.660 -3.716 1.00 1.06 C ATOM 0 H ILE A 100 9.761 -7.439 0.757 1.00 0.47 H new ATOM 0 HA ILE A 100 11.606 -9.029 -0.909 1.00 0.51 H new ATOM 0 HB ILE A 100 10.148 -6.410 -1.403 1.00 0.55 H new ATOM 0 HG12 ILE A 100 10.061 -9.186 -2.649 1.00 0.62 H new ATOM 0 HG13 ILE A 100 8.786 -8.404 -1.737 1.00 0.62 H new ATOM 0 HG21 ILE A 100 11.229 -6.359 -3.602 1.00 0.63 H new ATOM 0 HG22 ILE A 100 12.411 -6.207 -2.280 1.00 0.63 H new ATOM 0 HG23 ILE A 100 12.233 -7.754 -3.141 1.00 0.63 H new ATOM 0 HD11 ILE A 100 8.305 -8.361 -4.129 1.00 1.06 H new ATOM 0 HD12 ILE A 100 8.539 -6.709 -3.509 1.00 1.06 H new ATOM 0 HD13 ILE A 100 9.834 -7.504 -4.436 1.00 1.06 H new ATOM 420 N MET A 101 13.651 -7.668 -0.493 1.00 0.61 N ATOM 421 CA MET A 101 14.889 -7.020 -0.089 1.00 0.68 C ATOM 422 C MET A 101 14.991 -5.652 -0.749 1.00 0.76 C ATOM 423 O MET A 101 15.045 -5.544 -1.976 1.00 0.88 O ATOM 424 CB MET A 101 16.097 -7.875 -0.497 1.00 0.79 C ATOM 425 CG MET A 101 17.287 -7.788 0.455 1.00 1.18 C ATOM 426 SD MET A 101 17.800 -6.098 0.843 1.00 1.64 S ATOM 427 CE MET A 101 18.273 -5.477 -0.771 1.00 1.04 C ATOM 0 H MET A 101 13.777 -8.432 -1.157 1.00 0.61 H new ATOM 0 HA MET A 101 14.886 -6.905 0.995 1.00 0.68 H new ATOM 0 HB2 MET A 101 15.781 -8.916 -0.569 1.00 0.79 H new ATOM 0 HB3 MET A 101 16.421 -7.571 -1.492 1.00 0.79 H new ATOM 0 HG2 MET A 101 17.035 -8.302 1.383 1.00 1.18 H new ATOM 0 HG3 MET A 101 18.130 -8.320 0.015 1.00 1.18 H new ATOM 0 HE1 MET A 101 19.020 -4.692 -0.654 1.00 1.04 H new ATOM 0 HE2 MET A 101 18.690 -6.290 -1.366 1.00 1.04 H new ATOM 0 HE3 MET A 101 17.396 -5.071 -1.276 1.00 1.04 H new ATOM 437 N VAL A 102 15.009 -4.616 0.065 1.00 0.79 N ATOM 438 CA VAL A 102 15.148 -3.258 -0.428 1.00 0.95 C ATOM 439 C VAL A 102 16.527 -2.730 -0.093 1.00 1.08 C ATOM 440 O VAL A 102 17.005 -2.901 1.020 1.00 1.09 O ATOM 441 CB VAL A 102 14.118 -2.325 0.214 1.00 1.00 C ATOM 442 CG1 VAL A 102 14.121 -0.957 -0.435 1.00 1.51 C ATOM 443 CG2 VAL A 102 12.732 -2.941 0.186 1.00 1.14 C ATOM 0 H VAL A 102 14.928 -4.689 1.079 1.00 0.79 H new ATOM 0 HA VAL A 102 14.992 -3.283 -1.506 1.00 0.95 H new ATOM 0 HB VAL A 102 14.405 -2.190 1.257 1.00 1.00 H new ATOM 0 HG11 VAL A 102 13.377 -0.324 0.048 1.00 1.51 H new ATOM 0 HG12 VAL A 102 15.107 -0.505 -0.327 1.00 1.51 H new ATOM 0 HG13 VAL A 102 13.881 -1.056 -1.494 1.00 1.51 H new ATOM 0 HG21 VAL A 102 12.020 -2.257 0.648 1.00 1.14 H new ATOM 0 HG22 VAL A 102 12.438 -3.127 -0.847 1.00 1.14 H new ATOM 0 HG23 VAL A 102 12.741 -3.882 0.736 1.00 1.14 H new ATOM 453 N ASP A 103 17.156 -2.088 -1.046 1.00 1.23 N ATOM 454 CA ASP A 103 18.481 -1.529 -0.838 1.00 1.37 C ATOM 455 C ASP A 103 18.353 -0.054 -0.504 1.00 1.31 C ATOM 456 O ASP A 103 19.273 0.583 0.023 1.00 2.05 O ATOM 457 CB ASP A 103 19.313 -1.750 -2.089 1.00 1.53 C ATOM 458 CG ASP A 103 20.743 -1.280 -1.946 1.00 1.82 C ATOM 459 OD1 ASP A 103 21.567 -2.025 -1.370 1.00 1.99 O ATOM 460 OD2 ASP A 103 21.060 -0.173 -2.425 1.00 2.12 O ATOM 0 H ASP A 103 16.775 -1.936 -1.980 1.00 1.23 H new ATOM 0 HA ASP A 103 18.981 -2.022 -0.004 1.00 1.37 H new ATOM 0 HB2 ASP A 103 19.310 -2.812 -2.337 1.00 1.53 H new ATOM 0 HB3 ASP A 103 18.847 -1.226 -2.924 1.00 1.53 H new ATOM 465 N ASP A 104 17.178 0.450 -0.827 1.00 0.88 N ATOM 466 CA ASP A 104 16.737 1.796 -0.457 1.00 1.00 C ATOM 467 C ASP A 104 17.602 2.854 -1.139 1.00 1.19 C ATOM 468 O ASP A 104 18.083 2.630 -2.252 1.00 1.92 O ATOM 469 CB ASP A 104 16.774 1.956 1.067 1.00 1.84 C ATOM 470 CG ASP A 104 15.723 2.918 1.577 1.00 2.59 C ATOM 471 OD1 ASP A 104 16.019 4.125 1.665 1.00 3.23 O ATOM 472 OD2 ASP A 104 14.596 2.474 1.878 1.00 2.95 O ATOM 0 H ASP A 104 16.484 -0.069 -1.365 1.00 0.88 H new ATOM 0 HA ASP A 104 15.711 1.937 -0.796 1.00 1.00 H new ATOM 0 HB2 ASP A 104 16.627 0.982 1.534 1.00 1.84 H new ATOM 0 HB3 ASP A 104 17.761 2.309 1.368 1.00 1.84 H new ATOM 477 N SER A 105 17.748 4.014 -0.494 1.00 1.46 N ATOM 478 CA SER A 105 18.614 5.097 -0.974 1.00 2.15 C ATOM 479 C SER A 105 17.966 5.873 -2.126 1.00 1.93 C ATOM 480 O SER A 105 18.127 7.092 -2.232 1.00 2.30 O ATOM 481 CB SER A 105 19.987 4.542 -1.395 1.00 2.94 C ATOM 482 OG SER A 105 20.917 5.576 -1.676 1.00 3.13 O ATOM 0 H SER A 105 17.268 4.231 0.379 1.00 1.46 H new ATOM 0 HA SER A 105 18.757 5.796 -0.150 1.00 2.15 H new ATOM 0 HB2 SER A 105 20.380 3.907 -0.601 1.00 2.94 H new ATOM 0 HB3 SER A 105 19.868 3.912 -2.277 1.00 2.94 H new ATOM 0 HG SER A 105 21.775 5.182 -1.938 1.00 3.13 H new ATOM 488 N LYS A 106 17.227 5.174 -2.977 1.00 1.65 N ATOM 489 CA LYS A 106 16.597 5.794 -4.137 1.00 1.78 C ATOM 490 C LYS A 106 15.156 6.197 -3.837 1.00 1.42 C ATOM 491 O LYS A 106 14.643 5.944 -2.747 1.00 2.04 O ATOM 492 CB LYS A 106 16.634 4.841 -5.333 1.00 2.36 C ATOM 493 CG LYS A 106 18.040 4.455 -5.760 1.00 2.91 C ATOM 494 CD LYS A 106 18.864 5.674 -6.140 1.00 3.40 C ATOM 495 CE LYS A 106 20.268 5.286 -6.576 1.00 4.35 C ATOM 496 NZ LYS A 106 20.258 4.445 -7.802 1.00 4.92 N ATOM 0 H LYS A 106 17.048 4.174 -2.886 1.00 1.65 H new ATOM 0 HA LYS A 106 17.159 6.696 -4.379 1.00 1.78 H new ATOM 0 HB2 LYS A 106 16.078 3.937 -5.084 1.00 2.36 H new ATOM 0 HB3 LYS A 106 16.123 5.308 -6.175 1.00 2.36 H new ATOM 0 HG2 LYS A 106 18.533 3.920 -4.948 1.00 2.91 H new ATOM 0 HG3 LYS A 106 17.989 3.771 -6.607 1.00 2.91 H new ATOM 0 HD2 LYS A 106 18.367 6.212 -6.947 1.00 3.40 H new ATOM 0 HD3 LYS A 106 18.921 6.355 -5.291 1.00 3.40 H new ATOM 0 HE2 LYS A 106 20.853 6.187 -6.759 1.00 4.35 H new ATOM 0 HE3 LYS A 106 20.762 4.745 -5.769 1.00 4.35 H new ATOM 0 HZ1 LYS A 106 21.221 4.386 -8.190 1.00 4.92 H new ATOM 0 HZ2 LYS A 106 19.921 3.490 -7.565 1.00 4.92 H new ATOM 0 HZ3 LYS A 106 19.625 4.870 -8.509 1.00 4.92 H new ATOM 510 N THR A 107 14.508 6.815 -4.814 1.00 1.10 N ATOM 511 CA THR A 107 13.137 7.286 -4.658 1.00 0.79 C ATOM 512 C THR A 107 12.145 6.129 -4.690 1.00 0.61 C ATOM 513 O THR A 107 12.502 5.004 -5.048 1.00 0.63 O ATOM 514 CB THR A 107 12.765 8.273 -5.779 1.00 0.92 C ATOM 515 OG1 THR A 107 12.998 7.663 -7.055 1.00 1.28 O ATOM 516 CG2 THR A 107 13.570 9.558 -5.665 1.00 1.08 C ATOM 0 H THR A 107 14.913 7.004 -5.731 1.00 1.10 H new ATOM 0 HA THR A 107 13.083 7.784 -3.690 1.00 0.79 H new ATOM 0 HB THR A 107 11.709 8.524 -5.681 1.00 0.92 H new ATOM 0 HG1 THR A 107 13.072 8.358 -7.741 1.00 1.28 H new ATOM 0 HG21 THR A 107 13.287 10.237 -6.469 1.00 1.08 H new ATOM 0 HG22 THR A 107 13.368 10.030 -4.704 1.00 1.08 H new ATOM 0 HG23 THR A 107 14.633 9.329 -5.740 1.00 1.08 H new ATOM 524 N VAL A 108 10.896 6.415 -4.327 1.00 0.57 N ATOM 525 CA VAL A 108 9.816 5.444 -4.456 1.00 0.44 C ATOM 526 C VAL A 108 9.699 5.005 -5.912 1.00 0.41 C ATOM 527 O VAL A 108 9.423 3.848 -6.207 1.00 0.40 O ATOM 528 CB VAL A 108 8.467 6.036 -3.982 1.00 0.42 C ATOM 529 CG1 VAL A 108 7.311 5.097 -4.290 1.00 0.35 C ATOM 530 CG2 VAL A 108 8.511 6.338 -2.495 1.00 0.56 C ATOM 0 H VAL A 108 10.608 7.314 -3.941 1.00 0.57 H new ATOM 0 HA VAL A 108 10.050 4.587 -3.825 1.00 0.44 H new ATOM 0 HB VAL A 108 8.304 6.965 -4.528 1.00 0.42 H new ATOM 0 HG11 VAL A 108 6.378 5.543 -3.944 1.00 0.35 H new ATOM 0 HG12 VAL A 108 7.256 4.928 -5.365 1.00 0.35 H new ATOM 0 HG13 VAL A 108 7.469 4.146 -3.781 1.00 0.35 H new ATOM 0 HG21 VAL A 108 7.554 6.754 -2.180 1.00 0.56 H new ATOM 0 HG22 VAL A 108 8.707 5.419 -1.943 1.00 0.56 H new ATOM 0 HG23 VAL A 108 9.304 7.059 -2.293 1.00 0.56 H new ATOM 540 N THR A 109 9.925 5.954 -6.804 1.00 0.46 N ATOM 541 CA THR A 109 9.942 5.726 -8.225 1.00 0.53 C ATOM 542 C THR A 109 10.791 4.510 -8.615 1.00 0.56 C ATOM 543 O THR A 109 10.277 3.535 -9.166 1.00 0.63 O ATOM 544 CB THR A 109 10.539 6.976 -8.862 1.00 0.67 C ATOM 545 OG1 THR A 109 9.951 8.142 -8.266 1.00 1.39 O ATOM 546 CG2 THR A 109 10.318 6.991 -10.347 1.00 1.15 C ATOM 0 H THR A 109 10.105 6.924 -6.547 1.00 0.46 H new ATOM 0 HA THR A 109 8.927 5.525 -8.568 1.00 0.53 H new ATOM 0 HB THR A 109 11.615 6.973 -8.685 1.00 0.67 H new ATOM 0 HG1 THR A 109 10.335 8.946 -8.673 1.00 1.39 H new ATOM 0 HG21 THR A 109 10.755 7.895 -10.771 1.00 1.15 H new ATOM 0 HG22 THR A 109 10.790 6.116 -10.794 1.00 1.15 H new ATOM 0 HG23 THR A 109 9.248 6.973 -10.556 1.00 1.15 H new ATOM 554 N ASP A 110 12.078 4.565 -8.291 1.00 0.60 N ATOM 555 CA ASP A 110 13.010 3.489 -8.638 1.00 0.68 C ATOM 556 C ASP A 110 12.785 2.262 -7.762 1.00 0.58 C ATOM 557 O ASP A 110 12.781 1.130 -8.249 1.00 0.60 O ATOM 558 CB ASP A 110 14.459 3.966 -8.493 1.00 0.87 C ATOM 559 CG ASP A 110 15.468 2.916 -8.925 1.00 1.58 C ATOM 560 OD1 ASP A 110 15.887 2.097 -8.078 1.00 2.48 O ATOM 561 OD2 ASP A 110 15.856 2.911 -10.114 1.00 1.72 O ATOM 0 H ASP A 110 12.504 5.343 -7.788 1.00 0.60 H new ATOM 0 HA ASP A 110 12.825 3.213 -9.676 1.00 0.68 H new ATOM 0 HB2 ASP A 110 14.602 4.868 -9.089 1.00 0.87 H new ATOM 0 HB3 ASP A 110 14.646 4.237 -7.454 1.00 0.87 H new ATOM 566 N MET A 111 12.586 2.501 -6.471 1.00 0.54 N ATOM 567 CA MET A 111 12.387 1.426 -5.503 1.00 0.51 C ATOM 568 C MET A 111 11.201 0.551 -5.897 1.00 0.42 C ATOM 569 O MET A 111 11.315 -0.671 -5.996 1.00 0.46 O ATOM 570 CB MET A 111 12.151 2.018 -4.109 1.00 0.53 C ATOM 571 CG MET A 111 11.989 0.981 -3.007 1.00 0.59 C ATOM 572 SD MET A 111 11.521 1.720 -1.428 1.00 0.71 S ATOM 573 CE MET A 111 12.848 2.901 -1.195 1.00 0.82 C ATOM 0 H MET A 111 12.558 3.437 -6.067 1.00 0.54 H new ATOM 0 HA MET A 111 13.284 0.807 -5.490 1.00 0.51 H new ATOM 0 HB2 MET A 111 12.987 2.670 -3.858 1.00 0.53 H new ATOM 0 HB3 MET A 111 11.258 2.642 -4.139 1.00 0.53 H new ATOM 0 HG2 MET A 111 11.232 0.255 -3.304 1.00 0.59 H new ATOM 0 HG3 MET A 111 12.924 0.435 -2.886 1.00 0.59 H new ATOM 0 HE1 MET A 111 13.100 2.961 -0.136 1.00 0.82 H new ATOM 0 HE2 MET A 111 13.724 2.580 -1.759 1.00 0.82 H new ATOM 0 HE3 MET A 111 12.529 3.881 -1.548 1.00 0.82 H new ATOM 583 N LEU A 112 10.073 1.194 -6.149 1.00 0.36 N ATOM 584 CA LEU A 112 8.831 0.490 -6.427 1.00 0.34 C ATOM 585 C LEU A 112 8.836 -0.177 -7.796 1.00 0.38 C ATOM 586 O LEU A 112 8.313 -1.281 -7.942 1.00 0.37 O ATOM 587 CB LEU A 112 7.645 1.445 -6.306 1.00 0.34 C ATOM 588 CG LEU A 112 6.934 1.420 -4.947 1.00 0.42 C ATOM 589 CD1 LEU A 112 6.280 0.066 -4.719 1.00 0.79 C ATOM 590 CD2 LEU A 112 7.906 1.729 -3.816 1.00 0.45 C ATOM 0 H LEU A 112 9.991 2.211 -6.167 1.00 0.36 H new ATOM 0 HA LEU A 112 8.736 -0.303 -5.685 1.00 0.34 H new ATOM 0 HB2 LEU A 112 7.993 2.460 -6.500 1.00 0.34 H new ATOM 0 HB3 LEU A 112 6.921 1.202 -7.084 1.00 0.34 H new ATOM 0 HG LEU A 112 6.163 2.190 -4.955 1.00 0.42 H new ATOM 0 HD11 LEU A 112 5.779 0.062 -3.751 1.00 0.79 H new ATOM 0 HD12 LEU A 112 5.550 -0.123 -5.506 1.00 0.79 H new ATOM 0 HD13 LEU A 112 7.042 -0.714 -4.736 1.00 0.79 H new ATOM 0 HD21 LEU A 112 7.376 1.705 -2.864 1.00 0.45 H new ATOM 0 HD22 LEU A 112 8.702 0.985 -3.807 1.00 0.45 H new ATOM 0 HD23 LEU A 112 8.336 2.719 -3.966 1.00 0.45 H new ATOM 602 N MET A 113 9.431 0.473 -8.795 1.00 0.44 N ATOM 603 CA MET A 113 9.488 -0.113 -10.130 1.00 0.50 C ATOM 604 C MET A 113 10.390 -1.343 -10.117 1.00 0.50 C ATOM 605 O MET A 113 10.225 -2.258 -10.919 1.00 0.54 O ATOM 606 CB MET A 113 9.963 0.902 -11.179 1.00 0.60 C ATOM 607 CG MET A 113 11.448 1.222 -11.127 1.00 0.64 C ATOM 608 SD MET A 113 11.939 2.404 -12.397 1.00 1.07 S ATOM 609 CE MET A 113 11.393 1.550 -13.876 1.00 2.09 C ATOM 0 H MET A 113 9.872 1.388 -8.708 1.00 0.44 H new ATOM 0 HA MET A 113 8.479 -0.413 -10.411 1.00 0.50 H new ATOM 0 HB2 MET A 113 9.722 0.519 -12.171 1.00 0.60 H new ATOM 0 HB3 MET A 113 9.401 1.827 -11.050 1.00 0.60 H new ATOM 0 HG2 MET A 113 11.697 1.624 -10.145 1.00 0.64 H new ATOM 0 HG3 MET A 113 12.020 0.302 -11.249 1.00 0.64 H new ATOM 0 HE1 MET A 113 11.944 1.926 -14.738 1.00 2.09 H new ATOM 0 HE2 MET A 113 11.575 0.481 -13.767 1.00 2.09 H new ATOM 0 HE3 MET A 113 10.327 1.723 -14.024 1.00 2.09 H new ATOM 619 N THR A 114 11.336 -1.360 -9.189 1.00 0.47 N ATOM 620 CA THR A 114 12.143 -2.541 -8.954 1.00 0.48 C ATOM 621 C THR A 114 11.279 -3.631 -8.331 1.00 0.41 C ATOM 622 O THR A 114 11.197 -4.739 -8.854 1.00 0.42 O ATOM 623 CB THR A 114 13.340 -2.219 -8.036 1.00 0.54 C ATOM 624 OG1 THR A 114 14.137 -1.188 -8.630 1.00 0.65 O ATOM 625 CG2 THR A 114 14.200 -3.450 -7.793 1.00 0.54 C ATOM 0 H THR A 114 11.561 -0.567 -8.588 1.00 0.47 H new ATOM 0 HA THR A 114 12.537 -2.890 -9.908 1.00 0.48 H new ATOM 0 HB THR A 114 12.949 -1.882 -7.076 1.00 0.54 H new ATOM 0 HG1 THR A 114 13.652 -0.337 -8.592 1.00 0.65 H new ATOM 0 HG21 THR A 114 15.034 -3.188 -7.142 1.00 0.54 H new ATOM 0 HG22 THR A 114 13.599 -4.226 -7.318 1.00 0.54 H new ATOM 0 HG23 THR A 114 14.583 -3.819 -8.744 1.00 0.54 H new ATOM 633 N ILE A 115 10.606 -3.285 -7.237 1.00 0.36 N ATOM 634 CA ILE A 115 9.739 -4.214 -6.510 1.00 0.35 C ATOM 635 C ILE A 115 8.733 -4.912 -7.432 1.00 0.34 C ATOM 636 O ILE A 115 8.616 -6.138 -7.406 1.00 0.36 O ATOM 637 CB ILE A 115 8.982 -3.484 -5.373 1.00 0.36 C ATOM 638 CG1 ILE A 115 9.974 -2.951 -4.335 1.00 0.40 C ATOM 639 CG2 ILE A 115 7.965 -4.408 -4.715 1.00 0.40 C ATOM 640 CD1 ILE A 115 9.328 -2.148 -3.226 1.00 0.43 C ATOM 0 H ILE A 115 10.645 -2.352 -6.827 1.00 0.36 H new ATOM 0 HA ILE A 115 10.388 -4.978 -6.083 1.00 0.35 H new ATOM 0 HB ILE A 115 8.441 -2.642 -5.806 1.00 0.36 H new ATOM 0 HG12 ILE A 115 10.512 -3.791 -3.896 1.00 0.40 H new ATOM 0 HG13 ILE A 115 10.713 -2.328 -4.839 1.00 0.40 H new ATOM 0 HG21 ILE A 115 7.447 -3.872 -3.920 1.00 0.40 H new ATOM 0 HG22 ILE A 115 7.242 -4.741 -5.459 1.00 0.40 H new ATOM 0 HG23 ILE A 115 8.478 -5.273 -4.295 1.00 0.40 H new ATOM 0 HD11 ILE A 115 10.095 -1.805 -2.531 1.00 0.43 H new ATOM 0 HD12 ILE A 115 8.814 -1.287 -3.652 1.00 0.43 H new ATOM 0 HD13 ILE A 115 8.610 -2.773 -2.695 1.00 0.43 H new ATOM 652 N CYS A 116 8.021 -4.146 -8.255 1.00 0.37 N ATOM 653 CA CYS A 116 7.028 -4.734 -9.148 1.00 0.44 C ATOM 654 C CYS A 116 7.698 -5.607 -10.206 1.00 0.45 C ATOM 655 O CYS A 116 7.160 -6.638 -10.609 1.00 0.51 O ATOM 656 CB CYS A 116 6.168 -3.649 -9.808 1.00 0.55 C ATOM 657 SG CYS A 116 7.099 -2.395 -10.718 1.00 1.30 S ATOM 0 H CYS A 116 8.111 -3.132 -8.322 1.00 0.37 H new ATOM 0 HA CYS A 116 6.373 -5.366 -8.548 1.00 0.44 H new ATOM 0 HB2 CYS A 116 5.466 -4.127 -10.491 1.00 0.55 H new ATOM 0 HB3 CYS A 116 5.577 -3.155 -9.037 1.00 0.55 H new ATOM 0 HG CYS A 116 8.351 -2.741 -10.776 1.00 1.30 H new ATOM 663 N ALA A 117 8.885 -5.205 -10.636 1.00 0.45 N ATOM 664 CA ALA A 117 9.636 -5.972 -11.618 1.00 0.50 C ATOM 665 C ALA A 117 10.140 -7.280 -11.021 1.00 0.45 C ATOM 666 O ALA A 117 10.201 -8.294 -11.710 1.00 0.51 O ATOM 667 CB ALA A 117 10.792 -5.149 -12.159 1.00 0.58 C ATOM 0 H ALA A 117 9.348 -4.353 -10.320 1.00 0.45 H new ATOM 0 HA ALA A 117 8.967 -6.217 -12.443 1.00 0.50 H new ATOM 0 HB1 ALA A 117 11.345 -5.736 -12.893 1.00 0.58 H new ATOM 0 HB2 ALA A 117 10.406 -4.247 -12.633 1.00 0.58 H new ATOM 0 HB3 ALA A 117 11.457 -4.873 -11.340 1.00 0.58 H new ATOM 673 N ARG A 118 10.486 -7.253 -9.734 1.00 0.41 N ATOM 674 CA ARG A 118 10.968 -8.440 -9.031 1.00 0.45 C ATOM 675 C ARG A 118 9.975 -9.592 -9.140 1.00 0.51 C ATOM 676 O ARG A 118 10.363 -10.746 -9.329 1.00 0.62 O ATOM 677 CB ARG A 118 11.220 -8.123 -7.557 1.00 0.47 C ATOM 678 CG ARG A 118 12.190 -6.973 -7.317 1.00 0.46 C ATOM 679 CD ARG A 118 13.519 -7.182 -8.035 1.00 0.53 C ATOM 680 NE ARG A 118 13.434 -6.983 -9.484 1.00 1.33 N ATOM 681 CZ ARG A 118 14.427 -6.489 -10.220 1.00 1.75 C ATOM 682 NH1 ARG A 118 15.546 -6.087 -9.632 1.00 1.63 N ATOM 683 NH2 ARG A 118 14.302 -6.401 -11.541 1.00 2.63 N ATOM 0 H ARG A 118 10.441 -6.415 -9.154 1.00 0.41 H new ATOM 0 HA ARG A 118 11.903 -8.743 -9.503 1.00 0.45 H new ATOM 0 HB2 ARG A 118 10.269 -7.885 -7.081 1.00 0.47 H new ATOM 0 HB3 ARG A 118 11.607 -9.017 -7.067 1.00 0.47 H new ATOM 0 HG2 ARG A 118 11.738 -6.041 -7.657 1.00 0.46 H new ATOM 0 HG3 ARG A 118 12.369 -6.868 -6.247 1.00 0.46 H new ATOM 0 HD2 ARG A 118 14.258 -6.494 -7.624 1.00 0.53 H new ATOM 0 HD3 ARG A 118 13.877 -8.192 -7.835 1.00 0.53 H new ATOM 0 HE ARG A 118 12.566 -7.237 -9.955 1.00 1.33 H new ATOM 0 HH11 ARG A 118 15.643 -6.157 -8.619 1.00 1.63 H new ATOM 0 HH12 ARG A 118 16.309 -5.708 -10.193 1.00 1.63 H new ATOM 0 HH21 ARG A 118 13.443 -6.713 -11.994 1.00 2.63 H new ATOM 0 HH22 ARG A 118 15.065 -6.022 -12.101 1.00 2.63 H new ATOM 697 N ILE A 119 8.694 -9.278 -9.023 1.00 0.53 N ATOM 698 CA ILE A 119 7.661 -10.302 -9.066 1.00 0.68 C ATOM 699 C ILE A 119 7.150 -10.521 -10.488 1.00 0.67 C ATOM 700 O ILE A 119 6.312 -11.392 -10.726 1.00 0.91 O ATOM 701 CB ILE A 119 6.484 -9.962 -8.132 1.00 0.80 C ATOM 702 CG1 ILE A 119 5.848 -8.630 -8.527 1.00 0.80 C ATOM 703 CG2 ILE A 119 6.959 -9.917 -6.686 1.00 0.80 C ATOM 704 CD1 ILE A 119 4.668 -8.246 -7.663 1.00 1.05 C ATOM 0 H ILE A 119 8.346 -8.327 -8.898 1.00 0.53 H new ATOM 0 HA ILE A 119 8.121 -11.226 -8.716 1.00 0.68 H new ATOM 0 HB ILE A 119 5.728 -10.742 -8.229 1.00 0.80 H new ATOM 0 HG12 ILE A 119 6.602 -7.845 -8.469 1.00 0.80 H new ATOM 0 HG13 ILE A 119 5.525 -8.685 -9.566 1.00 0.80 H new ATOM 0 HG21 ILE A 119 6.119 -9.676 -6.034 1.00 0.80 H new ATOM 0 HG22 ILE A 119 7.368 -10.888 -6.407 1.00 0.80 H new ATOM 0 HG23 ILE A 119 7.731 -9.155 -6.580 1.00 0.80 H new ATOM 0 HD11 ILE A 119 4.266 -7.290 -8.000 1.00 1.05 H new ATOM 0 HD12 ILE A 119 3.896 -9.012 -7.740 1.00 1.05 H new ATOM 0 HD13 ILE A 119 4.990 -8.159 -6.625 1.00 1.05 H new ATOM 716 N GLY A 120 7.654 -9.729 -11.428 1.00 0.54 N ATOM 717 CA GLY A 120 7.331 -9.937 -12.826 1.00 0.58 C ATOM 718 C GLY A 120 6.118 -9.155 -13.288 1.00 0.67 C ATOM 719 O GLY A 120 5.340 -9.635 -14.111 1.00 1.03 O ATOM 0 H GLY A 120 8.281 -8.946 -11.246 1.00 0.54 H new ATOM 0 HA2 GLY A 120 8.190 -9.654 -13.435 1.00 0.58 H new ATOM 0 HA3 GLY A 120 7.155 -10.999 -12.996 1.00 0.58 H new ATOM 723 N ILE A 121 5.948 -7.952 -12.766 1.00 0.55 N ATOM 724 CA ILE A 121 4.858 -7.092 -13.194 1.00 0.63 C ATOM 725 C ILE A 121 5.355 -6.045 -14.185 1.00 0.83 C ATOM 726 O ILE A 121 6.261 -5.267 -13.882 1.00 1.29 O ATOM 727 CB ILE A 121 4.175 -6.390 -11.997 1.00 0.53 C ATOM 728 CG1 ILE A 121 3.359 -7.400 -11.183 1.00 0.73 C ATOM 729 CG2 ILE A 121 3.292 -5.245 -12.474 1.00 0.64 C ATOM 730 CD1 ILE A 121 2.579 -6.777 -10.043 1.00 0.60 C ATOM 0 H ILE A 121 6.549 -7.550 -12.047 1.00 0.55 H new ATOM 0 HA ILE A 121 4.120 -7.730 -13.681 1.00 0.63 H new ATOM 0 HB ILE A 121 4.950 -5.973 -11.354 1.00 0.53 H new ATOM 0 HG12 ILE A 121 2.665 -7.913 -11.849 1.00 0.73 H new ATOM 0 HG13 ILE A 121 4.032 -8.157 -10.780 1.00 0.73 H new ATOM 0 HG21 ILE A 121 2.822 -4.766 -11.615 1.00 0.64 H new ATOM 0 HG22 ILE A 121 3.900 -4.515 -13.009 1.00 0.64 H new ATOM 0 HG23 ILE A 121 2.521 -5.633 -13.140 1.00 0.64 H new ATOM 0 HD11 ILE A 121 2.027 -7.553 -9.513 1.00 0.60 H new ATOM 0 HD12 ILE A 121 3.269 -6.288 -9.355 1.00 0.60 H new ATOM 0 HD13 ILE A 121 1.880 -6.041 -10.440 1.00 0.60 H new ATOM 742 N THR A 122 4.767 -6.044 -15.370 1.00 1.51 N ATOM 743 CA THR A 122 5.064 -5.034 -16.368 1.00 1.86 C ATOM 744 C THR A 122 4.074 -3.884 -16.216 1.00 1.60 C ATOM 745 O THR A 122 2.864 -4.071 -16.357 1.00 1.93 O ATOM 746 CB THR A 122 4.980 -5.627 -17.785 1.00 2.48 C ATOM 747 OG1 THR A 122 5.656 -6.892 -17.808 1.00 2.82 O ATOM 748 CG2 THR A 122 5.619 -4.694 -18.803 1.00 2.94 C ATOM 0 H THR A 122 4.078 -6.736 -15.664 1.00 1.51 H new ATOM 0 HA THR A 122 6.080 -4.668 -16.219 1.00 1.86 H new ATOM 0 HB THR A 122 3.930 -5.757 -18.047 1.00 2.48 H new ATOM 0 HG1 THR A 122 5.604 -7.275 -18.709 1.00 2.82 H new ATOM 0 HG21 THR A 122 5.547 -5.136 -19.797 1.00 2.94 H new ATOM 0 HG22 THR A 122 5.101 -3.735 -18.793 1.00 2.94 H new ATOM 0 HG23 THR A 122 6.668 -4.542 -18.549 1.00 2.94 H new ATOM 756 N ASN A 123 4.582 -2.704 -15.912 1.00 1.70 N ATOM 757 CA ASN A 123 3.724 -1.599 -15.512 1.00 1.62 C ATOM 758 C ASN A 123 3.232 -0.785 -16.694 1.00 1.70 C ATOM 759 O ASN A 123 4.017 -0.298 -17.504 1.00 2.45 O ATOM 760 CB ASN A 123 4.448 -0.678 -14.535 1.00 2.23 C ATOM 761 CG ASN A 123 3.730 -0.586 -13.206 1.00 2.56 C ATOM 762 OD1 ASN A 123 2.769 0.171 -13.059 1.00 3.04 O ATOM 763 ND2 ASN A 123 4.199 -1.344 -12.227 1.00 2.99 N ATOM 0 H ASN A 123 5.578 -2.485 -15.933 1.00 1.70 H new ATOM 0 HA ASN A 123 2.856 -2.046 -15.027 1.00 1.62 H new ATOM 0 HB2 ASN A 123 5.462 -1.044 -14.375 1.00 2.23 H new ATOM 0 HB3 ASN A 123 4.534 0.317 -14.971 1.00 2.23 H new ATOM 0 HD21 ASN A 123 3.762 -1.316 -11.306 1.00 2.99 H new ATOM 0 HD22 ASN A 123 4.997 -1.956 -12.394 1.00 2.99 H new ATOM 770 N HIS A 124 1.914 -0.643 -16.778 1.00 1.79 N ATOM 771 CA HIS A 124 1.300 0.311 -17.696 1.00 2.42 C ATOM 772 C HIS A 124 1.199 1.663 -17.000 1.00 1.95 C ATOM 773 O HIS A 124 0.598 2.597 -17.527 1.00 2.58 O ATOM 774 CB HIS A 124 -0.108 -0.137 -18.115 1.00 3.50 C ATOM 775 CG HIS A 124 -0.160 -1.409 -18.909 1.00 4.50 C ATOM 776 ND1 HIS A 124 -0.725 -2.568 -18.428 1.00 5.27 N ATOM 777 CD2 HIS A 124 0.250 -1.688 -20.166 1.00 5.23 C ATOM 778 CE1 HIS A 124 -0.660 -3.505 -19.354 1.00 6.25 C ATOM 779 NE2 HIS A 124 -0.073 -2.998 -20.420 1.00 6.24 N ATOM 0 H HIS A 124 1.248 -1.178 -16.220 1.00 1.79 H new ATOM 0 HA HIS A 124 1.919 0.375 -18.591 1.00 2.42 H new ATOM 0 HB2 HIS A 124 -0.715 -0.261 -17.218 1.00 3.50 H new ATOM 0 HB3 HIS A 124 -0.566 0.659 -18.702 1.00 3.50 H new ATOM 0 HD1 HIS A 124 -1.131 -2.684 -17.500 1.00 5.27 H new ATOM 0 HD2 HIS A 124 0.741 -1.007 -20.845 1.00 5.23 H new ATOM 0 HE1 HIS A 124 -1.026 -4.516 -19.256 1.00 6.25 H new ATOM 788 N ASP A 125 1.799 1.731 -15.805 1.00 1.36 N ATOM 789 CA ASP A 125 1.687 2.882 -14.904 1.00 1.73 C ATOM 790 C ASP A 125 0.252 2.989 -14.398 1.00 1.67 C ATOM 791 O ASP A 125 -0.218 4.045 -13.982 1.00 1.95 O ATOM 792 CB ASP A 125 2.143 4.172 -15.589 1.00 2.22 C ATOM 793 CG ASP A 125 2.443 5.282 -14.595 1.00 3.00 C ATOM 794 OD1 ASP A 125 3.530 5.266 -13.979 1.00 3.57 O ATOM 795 OD2 ASP A 125 1.586 6.175 -14.420 1.00 3.47 O ATOM 0 H ASP A 125 2.381 0.980 -15.434 1.00 1.36 H new ATOM 0 HA ASP A 125 2.349 2.732 -14.051 1.00 1.73 H new ATOM 0 HB2 ASP A 125 3.034 3.969 -16.183 1.00 2.22 H new ATOM 0 HB3 ASP A 125 1.369 4.506 -16.280 1.00 2.22 H new ATOM 800 N GLU A 126 -0.425 1.851 -14.431 1.00 1.58 N ATOM 801 CA GLU A 126 -1.789 1.726 -13.942 1.00 1.86 C ATOM 802 C GLU A 126 -1.797 1.629 -12.423 1.00 1.36 C ATOM 803 O GLU A 126 -2.718 2.099 -11.752 1.00 1.70 O ATOM 804 CB GLU A 126 -2.421 0.464 -14.542 1.00 2.55 C ATOM 805 CG GLU A 126 -1.538 -0.767 -14.397 1.00 3.40 C ATOM 806 CD GLU A 126 -2.094 -1.992 -15.088 1.00 4.27 C ATOM 807 OE1 GLU A 126 -3.250 -2.364 -14.784 1.00 4.72 O ATOM 808 OE2 GLU A 126 -1.395 -2.565 -15.948 1.00 4.78 O ATOM 0 H GLU A 126 -0.040 0.982 -14.801 1.00 1.58 H new ATOM 0 HA GLU A 126 -2.361 2.605 -14.239 1.00 1.86 H new ATOM 0 HB2 GLU A 126 -3.379 0.277 -14.056 1.00 2.55 H new ATOM 0 HB3 GLU A 126 -2.628 0.634 -15.599 1.00 2.55 H new ATOM 0 HG2 GLU A 126 -0.551 -0.547 -14.804 1.00 3.40 H new ATOM 0 HG3 GLU A 126 -1.405 -0.986 -13.338 1.00 3.40 H new ATOM 815 N TYR A 127 -0.740 1.037 -11.890 1.00 0.80 N ATOM 816 CA TYR A 127 -0.688 0.686 -10.487 1.00 0.65 C ATOM 817 C TYR A 127 -0.260 1.866 -9.634 1.00 0.67 C ATOM 818 O TYR A 127 0.807 2.446 -9.838 1.00 1.03 O ATOM 819 CB TYR A 127 0.269 -0.485 -10.280 1.00 0.93 C ATOM 820 CG TYR A 127 -0.103 -1.716 -11.077 1.00 0.80 C ATOM 821 CD1 TYR A 127 -1.377 -2.259 -11.004 1.00 0.69 C ATOM 822 CD2 TYR A 127 0.823 -2.332 -11.909 1.00 1.36 C ATOM 823 CE1 TYR A 127 -1.718 -3.380 -11.736 1.00 0.71 C ATOM 824 CE2 TYR A 127 0.489 -3.450 -12.645 1.00 1.33 C ATOM 825 CZ TYR A 127 -0.789 -3.986 -12.527 1.00 0.74 C ATOM 826 OH TYR A 127 -1.120 -5.083 -13.293 1.00 0.83 O ATOM 0 H TYR A 127 0.098 0.789 -12.416 1.00 0.80 H new ATOM 0 HA TYR A 127 -1.691 0.395 -10.175 1.00 0.65 H new ATOM 0 HB2 TYR A 127 1.277 -0.174 -10.556 1.00 0.93 H new ATOM 0 HB3 TYR A 127 0.293 -0.741 -9.221 1.00 0.93 H new ATOM 0 HD1 TYR A 127 -2.115 -1.798 -10.364 1.00 0.69 H new ATOM 0 HD2 TYR A 127 1.822 -1.929 -11.981 1.00 1.36 H new ATOM 0 HE1 TYR A 127 -2.721 -3.776 -11.681 1.00 0.71 H new ATOM 0 HE2 TYR A 127 1.212 -3.904 -13.306 1.00 1.33 H new ATOM 0 HH TYR A 127 -0.332 -5.382 -13.794 1.00 0.83 H new ATOM 836 N SER A 128 -1.106 2.223 -8.687 1.00 0.56 N ATOM 837 CA SER A 128 -0.792 3.260 -7.728 1.00 0.59 C ATOM 838 C SER A 128 -0.425 2.611 -6.399 1.00 0.48 C ATOM 839 O SER A 128 -0.802 1.465 -6.142 1.00 0.49 O ATOM 840 CB SER A 128 -1.991 4.190 -7.567 1.00 0.77 C ATOM 841 OG SER A 128 -2.472 4.622 -8.830 1.00 1.44 O ATOM 0 H SER A 128 -2.027 1.803 -8.562 1.00 0.56 H new ATOM 0 HA SER A 128 0.054 3.852 -8.078 1.00 0.59 H new ATOM 0 HB2 SER A 128 -2.786 3.675 -7.028 1.00 0.77 H new ATOM 0 HB3 SER A 128 -1.707 5.054 -6.967 1.00 0.77 H new ATOM 0 HG SER A 128 -3.241 5.215 -8.702 1.00 1.44 H new ATOM 847 N LEU A 129 0.317 3.314 -5.562 1.00 0.45 N ATOM 848 CA LEU A 129 0.781 2.727 -4.315 1.00 0.40 C ATOM 849 C LEU A 129 0.116 3.393 -3.120 1.00 0.34 C ATOM 850 O LEU A 129 -0.225 4.577 -3.162 1.00 0.37 O ATOM 851 CB LEU A 129 2.308 2.824 -4.185 1.00 0.46 C ATOM 852 CG LEU A 129 3.134 2.109 -5.270 1.00 0.58 C ATOM 853 CD1 LEU A 129 2.619 0.696 -5.508 1.00 1.02 C ATOM 854 CD2 LEU A 129 3.151 2.903 -6.567 1.00 1.31 C ATOM 0 H LEU A 129 0.609 4.279 -5.718 1.00 0.45 H new ATOM 0 HA LEU A 129 0.504 1.673 -4.330 1.00 0.40 H new ATOM 0 HB2 LEU A 129 2.585 3.878 -4.184 1.00 0.46 H new ATOM 0 HB3 LEU A 129 2.595 2.419 -3.215 1.00 0.46 H new ATOM 0 HG LEU A 129 4.160 2.040 -4.908 1.00 0.58 H new ATOM 0 HD11 LEU A 129 3.221 0.215 -6.279 1.00 1.02 H new ATOM 0 HD12 LEU A 129 2.688 0.123 -4.583 1.00 1.02 H new ATOM 0 HD13 LEU A 129 1.579 0.738 -5.832 1.00 1.02 H new ATOM 0 HD21 LEU A 129 3.743 2.371 -7.312 1.00 1.31 H new ATOM 0 HD22 LEU A 129 2.131 3.025 -6.933 1.00 1.31 H new ATOM 0 HD23 LEU A 129 3.591 3.884 -6.387 1.00 1.31 H new ATOM 866 N VAL A 130 -0.084 2.624 -2.062 1.00 0.30 N ATOM 867 CA VAL A 130 -0.670 3.148 -0.841 1.00 0.27 C ATOM 868 C VAL A 130 0.147 2.698 0.363 1.00 0.31 C ATOM 869 O VAL A 130 0.812 1.663 0.325 1.00 0.34 O ATOM 870 CB VAL A 130 -2.154 2.709 -0.649 1.00 0.33 C ATOM 871 CG1 VAL A 130 -2.760 2.180 -1.937 1.00 0.51 C ATOM 872 CG2 VAL A 130 -2.304 1.674 0.454 1.00 0.66 C ATOM 0 H VAL A 130 0.152 1.632 -2.025 1.00 0.30 H new ATOM 0 HA VAL A 130 -0.656 4.235 -0.925 1.00 0.27 H new ATOM 0 HB VAL A 130 -2.699 3.606 -0.354 1.00 0.33 H new ATOM 0 HG11 VAL A 130 -3.794 1.885 -1.758 1.00 0.51 H new ATOM 0 HG12 VAL A 130 -2.731 2.958 -2.699 1.00 0.51 H new ATOM 0 HG13 VAL A 130 -2.191 1.316 -2.279 1.00 0.51 H new ATOM 0 HG21 VAL A 130 -3.354 1.397 0.553 1.00 0.66 H new ATOM 0 HG22 VAL A 130 -1.717 0.790 0.205 1.00 0.66 H new ATOM 0 HG23 VAL A 130 -1.949 2.092 1.396 1.00 0.66 H new ATOM 882 N ARG A 131 0.108 3.486 1.419 1.00 0.37 N ATOM 883 CA ARG A 131 0.693 3.095 2.686 1.00 0.44 C ATOM 884 C ARG A 131 -0.399 2.533 3.586 1.00 0.48 C ATOM 885 O ARG A 131 -1.304 3.260 3.998 1.00 0.58 O ATOM 886 CB ARG A 131 1.370 4.297 3.342 1.00 0.53 C ATOM 887 CG ARG A 131 2.008 3.996 4.685 1.00 1.14 C ATOM 888 CD ARG A 131 2.857 5.162 5.167 1.00 1.21 C ATOM 889 NE ARG A 131 2.124 6.431 5.154 1.00 0.99 N ATOM 890 CZ ARG A 131 1.751 7.094 6.249 1.00 1.15 C ATOM 891 NH1 ARG A 131 1.922 6.552 7.447 1.00 1.84 N ATOM 892 NH2 ARG A 131 1.166 8.282 6.142 1.00 1.52 N ATOM 0 H ARG A 131 -0.327 4.409 1.424 1.00 0.37 H new ATOM 0 HA ARG A 131 1.450 2.327 2.523 1.00 0.44 H new ATOM 0 HB2 ARG A 131 2.135 4.682 2.667 1.00 0.53 H new ATOM 0 HB3 ARG A 131 0.632 5.089 3.472 1.00 0.53 H new ATOM 0 HG2 ARG A 131 1.231 3.781 5.419 1.00 1.14 H new ATOM 0 HG3 ARG A 131 2.626 3.102 4.604 1.00 1.14 H new ATOM 0 HD2 ARG A 131 3.207 4.959 6.179 1.00 1.21 H new ATOM 0 HD3 ARG A 131 3.741 5.250 4.535 1.00 1.21 H new ATOM 0 HE ARG A 131 1.883 6.833 4.248 1.00 0.99 H new ATOM 0 HH11 ARG A 131 2.340 5.625 7.533 1.00 1.84 H new ATOM 0 HH12 ARG A 131 1.636 7.062 8.283 1.00 1.84 H new ATOM 0 HH21 ARG A 131 1.001 8.688 5.221 1.00 1.52 H new ATOM 0 HH22 ARG A 131 0.881 8.788 6.981 1.00 1.52 H new ATOM 906 N GLU A 132 -0.335 1.240 3.855 1.00 0.47 N ATOM 907 CA GLU A 132 -1.342 0.583 4.671 1.00 0.57 C ATOM 908 C GLU A 132 -0.969 0.681 6.144 1.00 0.66 C ATOM 909 O GLU A 132 -0.028 0.026 6.606 1.00 0.75 O ATOM 910 CB GLU A 132 -1.492 -0.884 4.260 1.00 0.62 C ATOM 911 CG GLU A 132 -2.618 -1.607 4.983 1.00 1.02 C ATOM 912 CD GLU A 132 -2.647 -3.093 4.690 1.00 1.27 C ATOM 913 OE1 GLU A 132 -3.264 -3.496 3.681 1.00 1.26 O ATOM 914 OE2 GLU A 132 -2.064 -3.867 5.480 1.00 2.12 O ATOM 0 H GLU A 132 0.405 0.623 3.520 1.00 0.47 H new ATOM 0 HA GLU A 132 -2.297 1.085 4.515 1.00 0.57 H new ATOM 0 HB2 GLU A 132 -1.669 -0.935 3.186 1.00 0.62 H new ATOM 0 HB3 GLU A 132 -0.554 -1.405 4.453 1.00 0.62 H new ATOM 0 HG2 GLU A 132 -2.510 -1.455 6.057 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -3.572 -1.166 4.693 1.00 1.02 H new ATOM 921 N LEU A 133 -1.698 1.519 6.866 1.00 0.77 N ATOM 922 CA LEU A 133 -1.469 1.712 8.290 1.00 0.97 C ATOM 923 C LEU A 133 -2.104 0.582 9.089 1.00 1.32 C ATOM 924 O LEU A 133 -3.224 0.155 8.798 1.00 1.55 O ATOM 925 CB LEU A 133 -2.030 3.062 8.759 1.00 1.18 C ATOM 926 CG LEU A 133 -1.143 4.287 8.487 1.00 1.21 C ATOM 927 CD1 LEU A 133 -0.871 4.452 7.003 1.00 1.25 C ATOM 928 CD2 LEU A 133 -1.790 5.543 9.047 1.00 2.00 C ATOM 0 H LEU A 133 -2.459 2.081 6.485 1.00 0.77 H new ATOM 0 HA LEU A 133 -0.392 1.707 8.460 1.00 0.97 H new ATOM 0 HB2 LEU A 133 -2.994 3.221 8.276 1.00 1.18 H new ATOM 0 HB3 LEU A 133 -2.217 3.003 9.831 1.00 1.18 H new ATOM 0 HG LEU A 133 -0.188 4.127 8.988 1.00 1.21 H new ATOM 0 HD11 LEU A 133 -0.241 5.327 6.844 1.00 1.25 H new ATOM 0 HD12 LEU A 133 -0.362 3.565 6.626 1.00 1.25 H new ATOM 0 HD13 LEU A 133 -1.814 4.583 6.473 1.00 1.25 H new ATOM 0 HD21 LEU A 133 -1.150 6.402 8.847 1.00 2.00 H new ATOM 0 HD22 LEU A 133 -2.760 5.695 8.573 1.00 2.00 H new ATOM 0 HD23 LEU A 133 -1.925 5.434 10.123 1.00 2.00 H new ATOM 1531 N ASP A 168 -10.191 3.915 2.789 1.00 1.54 N ATOM 1532 CA ASP A 168 -8.912 4.426 2.291 1.00 1.34 C ATOM 1533 C ASP A 168 -8.391 5.503 3.218 1.00 1.35 C ATOM 1534 O ASP A 168 -7.651 6.402 2.820 1.00 1.56 O ATOM 1535 CB ASP A 168 -9.031 4.958 0.858 1.00 1.54 C ATOM 1536 CG ASP A 168 -9.111 3.849 -0.166 1.00 1.75 C ATOM 1537 OD1 ASP A 168 -10.204 3.275 -0.351 1.00 2.11 O ATOM 1538 OD2 ASP A 168 -8.080 3.549 -0.801 1.00 2.42 O ATOM 0 HA ASP A 168 -8.204 3.598 2.270 1.00 1.34 H new ATOM 0 HB2 ASP A 168 -9.919 5.586 0.779 1.00 1.54 H new ATOM 0 HB3 ASP A 168 -8.172 5.592 0.636 1.00 1.54 H new ATOM 1543 N ASP A 169 -8.793 5.387 4.467 1.00 1.37 N ATOM 1544 CA ASP A 169 -8.280 6.241 5.525 1.00 1.46 C ATOM 1545 C ASP A 169 -7.050 5.585 6.125 1.00 1.24 C ATOM 1546 O ASP A 169 -6.079 6.247 6.495 1.00 1.29 O ATOM 1547 CB ASP A 169 -9.342 6.465 6.602 1.00 1.79 C ATOM 1548 CG ASP A 169 -8.823 7.271 7.775 1.00 2.09 C ATOM 1549 OD1 ASP A 169 -8.681 8.503 7.639 1.00 2.57 O ATOM 1550 OD2 ASP A 169 -8.556 6.675 8.837 1.00 2.35 O ATOM 0 H ASP A 169 -9.481 4.702 4.779 1.00 1.37 H new ATOM 0 HA ASP A 169 -8.016 7.214 5.111 1.00 1.46 H new ATOM 0 HB2 ASP A 169 -10.197 6.979 6.163 1.00 1.79 H new ATOM 0 HB3 ASP A 169 -9.700 5.500 6.960 1.00 1.79 H new ATOM 1555 N GLU A 170 -7.098 4.262 6.186 1.00 1.13 N ATOM 1556 CA GLU A 170 -5.965 3.467 6.625 1.00 1.05 C ATOM 1557 C GLU A 170 -4.980 3.322 5.475 1.00 0.82 C ATOM 1558 O GLU A 170 -3.815 2.980 5.665 1.00 0.83 O ATOM 1559 CB GLU A 170 -6.411 2.079 7.117 1.00 1.23 C ATOM 1560 CG GLU A 170 -7.922 1.883 7.209 1.00 1.87 C ATOM 1561 CD GLU A 170 -8.587 1.701 5.856 1.00 2.33 C ATOM 1562 OE1 GLU A 170 -8.582 0.566 5.332 1.00 2.60 O ATOM 1563 OE2 GLU A 170 -9.116 2.694 5.312 1.00 2.93 O ATOM 0 H GLU A 170 -7.920 3.714 5.933 1.00 1.13 H new ATOM 0 HA GLU A 170 -5.486 3.976 7.461 1.00 1.05 H new ATOM 0 HB2 GLU A 170 -6.002 1.323 6.446 1.00 1.23 H new ATOM 0 HB3 GLU A 170 -5.976 1.901 8.101 1.00 1.23 H new ATOM 0 HG2 GLU A 170 -8.131 1.011 7.829 1.00 1.87 H new ATOM 0 HG3 GLU A 170 -8.363 2.744 7.710 1.00 1.87 H new ATOM 1570 N LEU A 171 -5.472 3.597 4.277 1.00 0.73 N ATOM 1571 CA LEU A 171 -4.660 3.547 3.071 1.00 0.62 C ATOM 1572 C LEU A 171 -4.203 4.947 2.695 1.00 0.57 C ATOM 1573 O LEU A 171 -4.964 5.722 2.123 1.00 0.73 O ATOM 1574 CB LEU A 171 -5.448 2.937 1.903 1.00 0.67 C ATOM 1575 CG LEU A 171 -5.497 1.405 1.845 1.00 0.87 C ATOM 1576 CD1 LEU A 171 -6.195 0.823 3.064 1.00 1.34 C ATOM 1577 CD2 LEU A 171 -6.190 0.954 0.572 1.00 1.16 C ATOM 0 H LEU A 171 -6.444 3.861 4.113 1.00 0.73 H new ATOM 0 HA LEU A 171 -3.792 2.919 3.273 1.00 0.62 H new ATOM 0 HB2 LEU A 171 -6.471 3.311 1.948 1.00 0.67 H new ATOM 0 HB3 LEU A 171 -5.016 3.301 0.971 1.00 0.67 H new ATOM 0 HG LEU A 171 -4.472 1.035 1.844 1.00 0.87 H new ATOM 0 HD11 LEU A 171 -6.211 -0.264 2.989 1.00 1.34 H new ATOM 0 HD12 LEU A 171 -5.658 1.117 3.966 1.00 1.34 H new ATOM 0 HD13 LEU A 171 -7.217 1.199 3.112 1.00 1.34 H new ATOM 0 HD21 LEU A 171 -6.220 -0.135 0.540 1.00 1.16 H new ATOM 0 HD22 LEU A 171 -7.207 1.345 0.553 1.00 1.16 H new ATOM 0 HD23 LEU A 171 -5.641 1.327 -0.293 1.00 1.16 H new ATOM 1589 N ASN A 172 -2.970 5.281 3.037 1.00 0.49 N ATOM 1590 CA ASN A 172 -2.428 6.593 2.704 1.00 0.51 C ATOM 1591 C ASN A 172 -1.702 6.519 1.373 1.00 0.45 C ATOM 1592 O ASN A 172 -0.544 6.105 1.308 1.00 0.48 O ATOM 1593 CB ASN A 172 -1.487 7.115 3.799 1.00 0.66 C ATOM 1594 CG ASN A 172 -2.201 7.460 5.097 1.00 1.58 C ATOM 1595 OD1 ASN A 172 -1.846 8.421 5.777 1.00 1.82 O ATOM 1596 ND2 ASN A 172 -3.189 6.665 5.465 1.00 2.56 N ATOM 0 H ASN A 172 -2.328 4.669 3.541 1.00 0.49 H new ATOM 0 HA ASN A 172 -3.258 7.295 2.629 1.00 0.51 H new ATOM 0 HB2 ASN A 172 -0.725 6.362 4.001 1.00 0.66 H new ATOM 0 HB3 ASN A 172 -0.970 8.001 3.431 1.00 0.66 H new ATOM 0 HD21 ASN A 172 -3.685 6.839 6.339 1.00 2.56 H new ATOM 0 HD22 ASN A 172 -3.456 5.877 4.875 1.00 2.56 H new ATOM 1603 N TRP A 173 -2.399 6.893 0.314 1.00 0.45 N ATOM 1604 CA TRP A 173 -1.882 6.766 -1.043 1.00 0.46 C ATOM 1605 C TRP A 173 -0.666 7.661 -1.274 1.00 0.56 C ATOM 1606 O TRP A 173 -0.558 8.747 -0.694 1.00 0.69 O ATOM 1607 CB TRP A 173 -2.982 7.100 -2.051 1.00 0.48 C ATOM 1608 CG TRP A 173 -4.078 6.075 -2.104 1.00 0.46 C ATOM 1609 CD1 TRP A 173 -5.046 5.848 -1.166 1.00 0.54 C ATOM 1610 CD2 TRP A 173 -4.320 5.142 -3.160 1.00 0.48 C ATOM 1611 NE1 TRP A 173 -5.867 4.825 -1.575 1.00 0.60 N ATOM 1612 CE2 TRP A 173 -5.444 4.379 -2.794 1.00 0.55 C ATOM 1613 CE3 TRP A 173 -3.695 4.877 -4.378 1.00 0.54 C ATOM 1614 CZ2 TRP A 173 -5.953 3.370 -3.605 1.00 0.63 C ATOM 1615 CZ3 TRP A 173 -4.202 3.874 -5.179 1.00 0.62 C ATOM 1616 CH2 TRP A 173 -5.321 3.133 -4.791 1.00 0.64 C ATOM 0 H TRP A 173 -3.336 7.292 0.367 1.00 0.45 H new ATOM 0 HA TRP A 173 -1.560 5.734 -1.182 1.00 0.46 H new ATOM 0 HB2 TRP A 173 -3.413 8.069 -1.798 1.00 0.48 H new ATOM 0 HB3 TRP A 173 -2.538 7.197 -3.042 1.00 0.48 H new ATOM 0 HD1 TRP A 173 -5.150 6.393 -0.239 1.00 0.54 H new ATOM 0 HE1 TRP A 173 -6.663 4.458 -1.053 1.00 0.60 H new ATOM 0 HE3 TRP A 173 -2.831 5.446 -4.689 1.00 0.54 H new ATOM 0 HZ2 TRP A 173 -6.817 2.795 -3.307 1.00 0.63 H new ATOM 0 HZ3 TRP A 173 -3.725 3.658 -6.123 1.00 0.62 H new ATOM 0 HH2 TRP A 173 -5.693 2.357 -5.443 1.00 0.64 H new ATOM 1627 N LEU A 174 0.250 7.188 -2.110 1.00 0.53 N ATOM 1628 CA LEU A 174 1.426 7.960 -2.482 1.00 0.65 C ATOM 1629 C LEU A 174 1.905 7.558 -3.877 1.00 0.61 C ATOM 1630 O LEU A 174 1.678 6.429 -4.326 1.00 0.62 O ATOM 1631 CB LEU A 174 2.553 7.843 -1.419 1.00 0.72 C ATOM 1632 CG LEU A 174 3.323 6.506 -1.268 1.00 0.64 C ATOM 1633 CD1 LEU A 174 2.392 5.313 -1.147 1.00 0.53 C ATOM 1634 CD2 LEU A 174 4.320 6.301 -2.401 1.00 0.67 C ATOM 0 H LEU A 174 0.199 6.267 -2.545 1.00 0.53 H new ATOM 0 HA LEU A 174 1.147 9.013 -2.515 1.00 0.65 H new ATOM 0 HB2 LEU A 174 3.287 8.620 -1.634 1.00 0.72 H new ATOM 0 HB3 LEU A 174 2.114 8.078 -0.450 1.00 0.72 H new ATOM 0 HG LEU A 174 3.881 6.577 -0.334 1.00 0.64 H new ATOM 0 HD11 LEU A 174 2.980 4.401 -1.044 1.00 0.53 H new ATOM 0 HD12 LEU A 174 1.756 5.436 -0.271 1.00 0.53 H new ATOM 0 HD13 LEU A 174 1.771 5.244 -2.040 1.00 0.53 H new ATOM 0 HD21 LEU A 174 4.840 5.354 -2.261 1.00 0.67 H new ATOM 0 HD22 LEU A 174 3.790 6.287 -3.354 1.00 0.67 H new ATOM 0 HD23 LEU A 174 5.044 7.116 -2.401 1.00 0.67 H new ATOM 1646 N ASP A 175 2.551 8.492 -4.563 1.00 0.76 N ATOM 1647 CA ASP A 175 2.998 8.273 -5.934 1.00 0.80 C ATOM 1648 C ASP A 175 4.514 8.340 -6.037 1.00 0.77 C ATOM 1649 O ASP A 175 5.207 8.573 -5.043 1.00 0.98 O ATOM 1650 CB ASP A 175 2.370 9.306 -6.873 1.00 1.07 C ATOM 1651 CG ASP A 175 0.876 9.119 -7.028 1.00 1.93 C ATOM 1652 OD1 ASP A 175 0.460 8.312 -7.886 1.00 2.39 O ATOM 1653 OD2 ASP A 175 0.111 9.787 -6.295 1.00 2.79 O ATOM 0 H ASP A 175 2.778 9.414 -4.190 1.00 0.76 H new ATOM 0 HA ASP A 175 2.676 7.275 -6.231 1.00 0.80 H new ATOM 0 HB2 ASP A 175 2.569 10.307 -6.491 1.00 1.07 H new ATOM 0 HB3 ASP A 175 2.845 9.238 -7.852 1.00 1.07 H new ATOM 1658 N HIS A 176 5.030 8.137 -7.244 1.00 0.76 N ATOM 1659 CA HIS A 176 6.469 8.165 -7.466 1.00 0.85 C ATOM 1660 C HIS A 176 6.941 9.586 -7.732 1.00 1.05 C ATOM 1661 O HIS A 176 6.986 10.029 -8.878 1.00 1.99 O ATOM 1662 CB HIS A 176 6.899 7.303 -8.653 1.00 0.87 C ATOM 1663 CG HIS A 176 6.275 5.943 -8.735 1.00 0.84 C ATOM 1664 ND1 HIS A 176 5.298 5.624 -9.649 1.00 1.07 N ATOM 1665 CD2 HIS A 176 6.532 4.804 -8.052 1.00 0.81 C ATOM 1666 CE1 HIS A 176 4.979 4.354 -9.525 1.00 1.03 C ATOM 1667 NE2 HIS A 176 5.714 3.826 -8.563 1.00 0.82 N ATOM 0 H HIS A 176 4.475 7.952 -8.080 1.00 0.76 H new ATOM 0 HA HIS A 176 6.920 7.766 -6.558 1.00 0.85 H new ATOM 0 HB2 HIS A 176 6.669 7.843 -9.571 1.00 0.87 H new ATOM 0 HB3 HIS A 176 7.982 7.183 -8.617 1.00 0.87 H new ATOM 0 HD2 HIS A 176 7.248 4.685 -7.252 1.00 0.81 H new ATOM 0 HE1 HIS A 176 4.239 3.830 -10.112 1.00 1.03 H new ATOM 0 HE2 HIS A 176 5.680 2.855 -8.252 1.00 0.82 H new ATOM 1676 N GLY A 177 7.259 10.302 -6.678 1.00 0.93 N ATOM 1677 CA GLY A 177 7.827 11.625 -6.829 1.00 0.94 C ATOM 1678 C GLY A 177 8.533 12.052 -5.572 1.00 0.95 C ATOM 1679 O GLY A 177 8.805 13.236 -5.362 1.00 1.16 O ATOM 0 H GLY A 177 7.136 9.995 -5.713 1.00 0.93 H new ATOM 0 HA2 GLY A 177 8.527 11.631 -7.664 1.00 0.94 H new ATOM 0 HA3 GLY A 177 7.039 12.339 -7.068 1.00 0.94 H new ATOM 1683 N ARG A 178 8.857 11.066 -4.746 1.00 0.81 N ATOM 1684 CA ARG A 178 9.371 11.298 -3.409 1.00 0.89 C ATOM 1685 C ARG A 178 10.056 10.042 -2.915 1.00 0.62 C ATOM 1686 O ARG A 178 10.081 9.022 -3.607 1.00 0.64 O ATOM 1687 CB ARG A 178 8.248 11.681 -2.427 1.00 1.22 C ATOM 1688 CG ARG A 178 7.701 13.088 -2.616 1.00 1.50 C ATOM 1689 CD ARG A 178 6.618 13.416 -1.599 1.00 1.27 C ATOM 1690 NE ARG A 178 5.478 12.498 -1.685 1.00 1.32 N ATOM 1691 CZ ARG A 178 4.425 12.663 -2.489 1.00 1.66 C ATOM 1692 NH1 ARG A 178 4.346 13.712 -3.298 1.00 2.09 N ATOM 1693 NH2 ARG A 178 3.445 11.766 -2.470 1.00 2.11 N ATOM 0 H ARG A 178 8.769 10.079 -4.989 1.00 0.81 H new ATOM 0 HA ARG A 178 10.077 12.127 -3.457 1.00 0.89 H new ATOM 0 HB2 ARG A 178 7.430 10.969 -2.534 1.00 1.22 H new ATOM 0 HB3 ARG A 178 8.624 11.584 -1.408 1.00 1.22 H new ATOM 0 HG2 ARG A 178 8.514 13.809 -2.526 1.00 1.50 H new ATOM 0 HG3 ARG A 178 7.296 13.188 -3.623 1.00 1.50 H new ATOM 0 HD2 ARG A 178 7.041 13.374 -0.595 1.00 1.27 H new ATOM 0 HD3 ARG A 178 6.272 14.437 -1.757 1.00 1.27 H new ATOM 0 HE ARG A 178 5.490 11.672 -1.086 1.00 1.32 H new ATOM 0 HH11 ARG A 178 5.095 14.404 -3.310 1.00 2.09 H new ATOM 0 HH12 ARG A 178 3.536 13.826 -3.907 1.00 2.09 H new ATOM 0 HH21 ARG A 178 3.502 10.962 -1.845 1.00 2.11 H new ATOM 0 HH22 ARG A 178 2.636 11.882 -3.080 1.00 2.11 H new ATOM 1707 N THR A 179 10.605 10.124 -1.727 1.00 0.57 N ATOM 1708 CA THR A 179 11.258 8.997 -1.100 1.00 0.61 C ATOM 1709 C THR A 179 10.426 8.502 0.076 1.00 0.61 C ATOM 1710 O THR A 179 9.398 9.100 0.405 1.00 0.56 O ATOM 1711 CB THR A 179 12.656 9.412 -0.629 1.00 0.83 C ATOM 1712 OG1 THR A 179 12.550 10.489 0.316 1.00 0.90 O ATOM 1713 CG2 THR A 179 13.482 9.857 -1.824 1.00 0.91 C ATOM 0 H THR A 179 10.612 10.975 -1.165 1.00 0.57 H new ATOM 0 HA THR A 179 11.354 8.186 -1.822 1.00 0.61 H new ATOM 0 HB THR A 179 13.143 8.563 -0.149 1.00 0.83 H new ATOM 0 HG1 THR A 179 12.307 11.314 -0.154 1.00 0.90 H new ATOM 0 HG21 THR A 179 14.476 10.152 -1.489 1.00 0.91 H new ATOM 0 HG22 THR A 179 13.567 9.034 -2.534 1.00 0.91 H new ATOM 0 HG23 THR A 179 12.995 10.704 -2.307 1.00 0.91 H new ATOM 1721 N LEU A 180 10.850 7.422 0.714 1.00 0.80 N ATOM 1722 CA LEU A 180 10.099 6.884 1.839 1.00 0.90 C ATOM 1723 C LEU A 180 10.300 7.757 3.074 1.00 0.91 C ATOM 1724 O LEU A 180 9.467 7.771 3.982 1.00 0.95 O ATOM 1725 CB LEU A 180 10.456 5.396 2.092 1.00 1.22 C ATOM 1726 CG LEU A 180 11.709 5.052 2.932 1.00 1.41 C ATOM 1727 CD1 LEU A 180 12.945 5.806 2.477 1.00 2.05 C ATOM 1728 CD2 LEU A 180 11.451 5.268 4.416 1.00 2.08 C ATOM 0 H LEU A 180 11.698 6.907 0.477 1.00 0.80 H new ATOM 0 HA LEU A 180 9.036 6.905 1.597 1.00 0.90 H new ATOM 0 HB2 LEU A 180 9.598 4.931 2.577 1.00 1.22 H new ATOM 0 HB3 LEU A 180 10.571 4.916 1.120 1.00 1.22 H new ATOM 0 HG LEU A 180 11.912 3.993 2.769 1.00 1.41 H new ATOM 0 HD11 LEU A 180 13.793 5.525 3.102 1.00 2.05 H new ATOM 0 HD12 LEU A 180 13.161 5.557 1.438 1.00 2.05 H new ATOM 0 HD13 LEU A 180 12.770 6.878 2.564 1.00 2.05 H new ATOM 0 HD21 LEU A 180 12.349 5.018 4.982 1.00 2.08 H new ATOM 0 HD22 LEU A 180 11.190 6.312 4.592 1.00 2.08 H new ATOM 0 HD23 LEU A 180 10.629 4.629 4.739 1.00 2.08 H new ATOM 1740 N ARG A 181 11.381 8.529 3.070 1.00 0.99 N ATOM 1741 CA ARG A 181 11.765 9.316 4.232 1.00 1.14 C ATOM 1742 C ARG A 181 10.981 10.625 4.275 1.00 1.04 C ATOM 1743 O ARG A 181 10.581 11.081 5.348 1.00 1.14 O ATOM 1744 CB ARG A 181 13.272 9.587 4.204 1.00 1.37 C ATOM 1745 CG ARG A 181 13.843 10.040 5.537 1.00 1.60 C ATOM 1746 CD ARG A 181 13.560 9.026 6.635 1.00 2.05 C ATOM 1747 NE ARG A 181 14.077 7.695 6.311 1.00 2.91 N ATOM 1748 CZ ARG A 181 13.771 6.587 6.991 1.00 3.63 C ATOM 1749 NH1 ARG A 181 13.006 6.655 8.075 1.00 3.63 N ATOM 1750 NH2 ARG A 181 14.239 5.412 6.589 1.00 4.63 N ATOM 0 H ARG A 181 12.008 8.626 2.271 1.00 0.99 H new ATOM 0 HA ARG A 181 11.529 8.751 5.134 1.00 1.14 H new ATOM 0 HB2 ARG A 181 13.788 8.680 3.889 1.00 1.37 H new ATOM 0 HB3 ARG A 181 13.480 10.350 3.453 1.00 1.37 H new ATOM 0 HG2 ARG A 181 14.919 10.186 5.443 1.00 1.60 H new ATOM 0 HG3 ARG A 181 13.413 11.004 5.810 1.00 1.60 H new ATOM 0 HD2 ARG A 181 14.007 9.370 7.568 1.00 2.05 H new ATOM 0 HD3 ARG A 181 12.484 8.965 6.801 1.00 2.05 H new ATOM 0 HE ARG A 181 14.710 7.609 5.516 1.00 2.91 H new ATOM 0 HH11 ARG A 181 12.649 7.557 8.392 1.00 3.63 H new ATOM 0 HH12 ARG A 181 12.775 5.806 8.591 1.00 3.63 H new ATOM 0 HH21 ARG A 181 14.832 5.355 5.761 1.00 4.63 H new ATOM 0 HH22 ARG A 181 14.006 4.565 7.108 1.00 4.63 H new ATOM 1764 N GLU A 182 10.757 11.214 3.102 1.00 0.93 N ATOM 1765 CA GLU A 182 9.950 12.429 2.989 1.00 0.98 C ATOM 1766 C GLU A 182 8.538 12.179 3.469 1.00 0.98 C ATOM 1767 O GLU A 182 7.962 12.974 4.212 1.00 1.16 O ATOM 1768 CB GLU A 182 9.879 12.903 1.540 1.00 0.96 C ATOM 1769 CG GLU A 182 11.200 13.377 1.004 1.00 1.17 C ATOM 1770 CD GLU A 182 11.197 13.543 -0.499 1.00 1.52 C ATOM 1771 OE1 GLU A 182 10.801 14.623 -0.975 1.00 1.91 O ATOM 1772 OE2 GLU A 182 11.588 12.597 -1.211 1.00 1.94 O ATOM 0 H GLU A 182 11.123 10.869 2.215 1.00 0.93 H new ATOM 0 HA GLU A 182 10.427 13.191 3.606 1.00 0.98 H new ATOM 0 HB2 GLU A 182 9.513 12.088 0.916 1.00 0.96 H new ATOM 0 HB3 GLU A 182 9.153 13.712 1.465 1.00 0.96 H new ATOM 0 HG2 GLU A 182 11.455 14.329 1.470 1.00 1.17 H new ATOM 0 HG3 GLU A 182 11.977 12.666 1.285 1.00 1.17 H new ATOM 1779 N GLN A 183 7.991 11.061 3.035 1.00 0.90 N ATOM 1780 CA GLN A 183 6.589 10.784 3.245 1.00 1.02 C ATOM 1781 C GLN A 183 6.353 10.160 4.617 1.00 1.23 C ATOM 1782 O GLN A 183 5.255 10.241 5.168 1.00 1.48 O ATOM 1783 CB GLN A 183 6.073 9.877 2.132 1.00 1.06 C ATOM 1784 CG GLN A 183 6.465 10.378 0.752 1.00 1.27 C ATOM 1785 CD GLN A 183 5.960 9.500 -0.369 1.00 1.41 C ATOM 1786 OE1 GLN A 183 4.882 9.723 -0.907 1.00 2.02 O ATOM 1787 NE2 GLN A 183 6.744 8.504 -0.737 1.00 1.34 N ATOM 0 H GLN A 183 8.498 10.331 2.535 1.00 0.90 H new ATOM 0 HA GLN A 183 6.036 11.723 3.217 1.00 1.02 H new ATOM 0 HB2 GLN A 183 6.465 8.870 2.276 1.00 1.06 H new ATOM 0 HB3 GLN A 183 4.987 9.808 2.196 1.00 1.06 H new ATOM 0 HG2 GLN A 183 6.077 11.388 0.616 1.00 1.27 H new ATOM 0 HG3 GLN A 183 7.551 10.443 0.692 1.00 1.27 H new ATOM 0 HE21 GLN A 183 7.634 8.353 -0.262 1.00 1.34 H new ATOM 0 HE22 GLN A 183 6.460 7.885 -1.496 1.00 1.34 H new ATOM 1796 N GLY A 184 7.397 9.545 5.161 1.00 1.33 N ATOM 1797 CA GLY A 184 7.319 8.985 6.495 1.00 1.78 C ATOM 1798 C GLY A 184 6.655 7.626 6.519 1.00 1.49 C ATOM 1799 O GLY A 184 5.661 7.429 7.219 1.00 1.85 O ATOM 0 H GLY A 184 8.298 9.425 4.699 1.00 1.33 H new ATOM 0 HA2 GLY A 184 8.324 8.901 6.909 1.00 1.78 H new ATOM 0 HA3 GLY A 184 6.765 9.667 7.139 1.00 1.78 H new ATOM 1803 N VAL A 185 7.191 6.682 5.757 1.00 1.10 N ATOM 1804 CA VAL A 185 6.625 5.341 5.736 1.00 1.23 C ATOM 1805 C VAL A 185 7.529 4.369 6.490 1.00 1.12 C ATOM 1806 O VAL A 185 7.230 3.181 6.605 1.00 1.54 O ATOM 1807 CB VAL A 185 6.364 4.825 4.298 1.00 1.51 C ATOM 1808 CG1 VAL A 185 5.870 5.949 3.396 1.00 1.70 C ATOM 1809 CG2 VAL A 185 7.593 4.155 3.711 1.00 1.63 C ATOM 0 H VAL A 185 8.003 6.816 5.155 1.00 1.10 H new ATOM 0 HA VAL A 185 5.658 5.399 6.235 1.00 1.23 H new ATOM 0 HB VAL A 185 5.580 4.070 4.359 1.00 1.51 H new ATOM 0 HG11 VAL A 185 5.695 5.560 2.393 1.00 1.70 H new ATOM 0 HG12 VAL A 185 4.941 6.354 3.796 1.00 1.70 H new ATOM 0 HG13 VAL A 185 6.621 6.738 3.353 1.00 1.70 H new ATOM 0 HG21 VAL A 185 7.371 3.807 2.702 1.00 1.63 H new ATOM 0 HG22 VAL A 185 8.415 4.870 3.675 1.00 1.63 H new ATOM 0 HG23 VAL A 185 7.877 3.307 4.334 1.00 1.63 H new ATOM 1819 N GLU A 186 8.634 4.898 7.004 1.00 1.26 N ATOM 1820 CA GLU A 186 9.555 4.129 7.842 1.00 1.39 C ATOM 1821 C GLU A 186 9.900 2.782 7.196 1.00 1.49 C ATOM 1822 O GLU A 186 9.992 2.670 5.971 1.00 2.04 O ATOM 1823 CB GLU A 186 8.919 3.901 9.218 1.00 1.52 C ATOM 1824 CG GLU A 186 8.474 5.180 9.909 1.00 1.57 C ATOM 1825 CD GLU A 186 9.625 6.117 10.195 1.00 2.21 C ATOM 1826 OE1 GLU A 186 10.383 5.860 11.154 1.00 2.48 O ATOM 1827 OE2 GLU A 186 9.781 7.110 9.460 1.00 2.87 O ATOM 0 H GLU A 186 8.918 5.866 6.854 1.00 1.26 H new ATOM 0 HA GLU A 186 10.480 4.696 7.951 1.00 1.39 H new ATOM 0 HB2 GLU A 186 8.058 3.242 9.105 1.00 1.52 H new ATOM 0 HB3 GLU A 186 9.635 3.384 9.857 1.00 1.52 H new ATOM 0 HG2 GLU A 186 7.742 5.690 9.284 1.00 1.57 H new ATOM 0 HG3 GLU A 186 7.974 4.928 10.844 1.00 1.57 H new ATOM 1834 N GLU A 187 10.098 1.764 8.023 1.00 1.26 N ATOM 1835 CA GLU A 187 10.319 0.419 7.522 1.00 1.33 C ATOM 1836 C GLU A 187 9.277 -0.547 8.076 1.00 1.35 C ATOM 1837 O GLU A 187 9.349 -1.751 7.836 1.00 1.49 O ATOM 1838 CB GLU A 187 11.725 -0.066 7.878 1.00 1.44 C ATOM 1839 CG GLU A 187 12.025 -0.042 9.366 1.00 1.45 C ATOM 1840 CD GLU A 187 13.299 -0.776 9.707 1.00 1.45 C ATOM 1841 OE1 GLU A 187 13.233 -1.997 9.948 1.00 1.53 O ATOM 1842 OE2 GLU A 187 14.375 -0.142 9.725 1.00 1.90 O ATOM 0 H GLU A 187 10.110 1.846 9.040 1.00 1.26 H new ATOM 0 HA GLU A 187 10.222 0.447 6.437 1.00 1.33 H new ATOM 0 HB2 GLU A 187 11.852 -1.083 7.508 1.00 1.44 H new ATOM 0 HB3 GLU A 187 12.455 0.556 7.360 1.00 1.44 H new ATOM 0 HG2 GLU A 187 12.103 0.992 9.702 1.00 1.45 H new ATOM 0 HG3 GLU A 187 11.193 -0.491 9.909 1.00 1.45 H new ATOM 1849 N HIS A 188 8.297 -0.017 8.802 1.00 1.31 N ATOM 1850 CA HIS A 188 7.285 -0.864 9.431 1.00 1.39 C ATOM 1851 C HIS A 188 5.940 -0.759 8.714 1.00 1.20 C ATOM 1852 O HIS A 188 5.032 -1.546 8.976 1.00 1.24 O ATOM 1853 CB HIS A 188 7.124 -0.525 10.924 1.00 1.61 C ATOM 1854 CG HIS A 188 6.551 0.836 11.211 1.00 1.70 C ATOM 1855 ND1 HIS A 188 7.320 1.917 11.583 1.00 1.87 N ATOM 1856 CD2 HIS A 188 5.270 1.277 11.209 1.00 1.78 C ATOM 1857 CE1 HIS A 188 6.539 2.959 11.798 1.00 2.02 C ATOM 1858 NE2 HIS A 188 5.291 2.598 11.577 1.00 1.98 N ATOM 0 H HIS A 188 8.181 0.983 8.969 1.00 1.31 H new ATOM 0 HA HIS A 188 7.632 -1.894 9.348 1.00 1.39 H new ATOM 0 HB2 HIS A 188 6.483 -1.277 11.384 1.00 1.61 H new ATOM 0 HB3 HIS A 188 8.099 -0.600 11.405 1.00 1.61 H new ATOM 0 HD2 HIS A 188 4.394 0.695 10.963 1.00 1.78 H new ATOM 0 HE1 HIS A 188 6.867 3.942 12.103 1.00 2.02 H new ATOM 0 HE2 HIS A 188 4.474 3.202 11.665 1.00 1.98 H new ATOM 1867 N GLU A 189 5.815 0.209 7.816 1.00 1.06 N ATOM 1868 CA GLU A 189 4.563 0.419 7.096 1.00 0.92 C ATOM 1869 C GLU A 189 4.446 -0.568 5.942 1.00 0.81 C ATOM 1870 O GLU A 189 5.444 -0.907 5.304 1.00 1.08 O ATOM 1871 CB GLU A 189 4.487 1.852 6.566 1.00 0.90 C ATOM 1872 CG GLU A 189 4.567 2.909 7.657 1.00 1.26 C ATOM 1873 CD GLU A 189 3.292 3.057 8.450 1.00 2.13 C ATOM 1874 OE1 GLU A 189 2.929 2.120 9.183 1.00 2.73 O ATOM 1875 OE2 GLU A 189 2.670 4.136 8.363 1.00 2.47 O ATOM 0 H GLU A 189 6.561 0.859 7.568 1.00 1.06 H new ATOM 0 HA GLU A 189 3.736 0.255 7.787 1.00 0.92 H new ATOM 0 HB2 GLU A 189 5.299 2.012 5.857 1.00 0.90 H new ATOM 0 HB3 GLU A 189 3.554 1.978 6.017 1.00 0.90 H new ATOM 0 HG2 GLU A 189 5.381 2.656 8.337 1.00 1.26 H new ATOM 0 HG3 GLU A 189 4.817 3.868 7.204 1.00 1.26 H new ATOM 1882 N THR A 190 3.235 -1.035 5.683 1.00 0.56 N ATOM 1883 CA THR A 190 3.006 -1.966 4.592 1.00 0.44 C ATOM 1884 C THR A 190 2.678 -1.207 3.308 1.00 0.40 C ATOM 1885 O THR A 190 1.724 -0.428 3.259 1.00 0.47 O ATOM 1886 CB THR A 190 1.864 -2.944 4.930 1.00 0.36 C ATOM 1887 OG1 THR A 190 2.113 -3.558 6.203 1.00 0.45 O ATOM 1888 CG2 THR A 190 1.739 -4.026 3.865 1.00 0.36 C ATOM 0 H THR A 190 2.399 -0.785 6.212 1.00 0.56 H new ATOM 0 HA THR A 190 3.919 -2.542 4.444 1.00 0.44 H new ATOM 0 HB THR A 190 0.932 -2.380 4.965 1.00 0.36 H new ATOM 0 HG1 THR A 190 1.384 -4.178 6.415 1.00 0.45 H new ATOM 0 HG21 THR A 190 0.926 -4.703 4.128 1.00 0.36 H new ATOM 0 HG22 THR A 190 1.529 -3.564 2.900 1.00 0.36 H new ATOM 0 HG23 THR A 190 2.672 -4.586 3.804 1.00 0.36 H new ATOM 1896 N LEU A 191 3.478 -1.424 2.275 1.00 0.38 N ATOM 1897 CA LEU A 191 3.295 -0.724 1.012 1.00 0.36 C ATOM 1898 C LEU A 191 2.355 -1.524 0.112 1.00 0.32 C ATOM 1899 O LEU A 191 2.697 -2.611 -0.347 1.00 0.35 O ATOM 1900 CB LEU A 191 4.655 -0.506 0.332 1.00 0.43 C ATOM 1901 CG LEU A 191 4.745 0.678 -0.644 1.00 0.57 C ATOM 1902 CD1 LEU A 191 3.878 0.454 -1.874 1.00 0.97 C ATOM 1903 CD2 LEU A 191 4.355 1.973 0.055 1.00 0.90 C ATOM 0 H LEU A 191 4.260 -2.079 2.286 1.00 0.38 H new ATOM 0 HA LEU A 191 2.847 0.252 1.198 1.00 0.36 H new ATOM 0 HB2 LEU A 191 5.408 -0.368 1.108 1.00 0.43 H new ATOM 0 HB3 LEU A 191 4.917 -1.416 -0.208 1.00 0.43 H new ATOM 0 HG LEU A 191 5.780 0.756 -0.978 1.00 0.57 H new ATOM 0 HD11 LEU A 191 3.966 1.311 -2.542 1.00 0.97 H new ATOM 0 HD12 LEU A 191 4.208 -0.446 -2.393 1.00 0.97 H new ATOM 0 HD13 LEU A 191 2.838 0.337 -1.570 1.00 0.97 H new ATOM 0 HD21 LEU A 191 4.424 2.802 -0.650 1.00 0.90 H new ATOM 0 HD22 LEU A 191 3.332 1.894 0.423 1.00 0.90 H new ATOM 0 HD23 LEU A 191 5.029 2.152 0.893 1.00 0.90 H new ATOM 1915 N LEU A 192 1.172 -0.983 -0.128 1.00 0.31 N ATOM 1916 CA LEU A 192 0.163 -1.661 -0.929 1.00 0.32 C ATOM 1917 C LEU A 192 0.221 -1.218 -2.380 1.00 0.37 C ATOM 1918 O LEU A 192 0.528 -0.063 -2.676 1.00 0.38 O ATOM 1919 CB LEU A 192 -1.225 -1.369 -0.404 1.00 0.39 C ATOM 1920 CG LEU A 192 -2.335 -2.125 -1.124 1.00 0.58 C ATOM 1921 CD1 LEU A 192 -2.379 -3.579 -0.689 1.00 1.10 C ATOM 1922 CD2 LEU A 192 -3.653 -1.453 -0.883 1.00 1.34 C ATOM 0 H LEU A 192 0.884 -0.069 0.223 1.00 0.31 H new ATOM 0 HA LEU A 192 0.372 -2.729 -0.863 1.00 0.32 H new ATOM 0 HB2 LEU A 192 -1.260 -1.617 0.657 1.00 0.39 H new ATOM 0 HB3 LEU A 192 -1.416 -0.299 -0.487 1.00 0.39 H new ATOM 0 HG LEU A 192 -2.126 -2.110 -2.194 1.00 0.58 H new ATOM 0 HD11 LEU A 192 -3.181 -4.093 -1.219 1.00 1.10 H new ATOM 0 HD12 LEU A 192 -1.427 -4.057 -0.919 1.00 1.10 H new ATOM 0 HD13 LEU A 192 -2.561 -3.632 0.384 1.00 1.10 H new ATOM 0 HD21 LEU A 192 -4.440 -2.000 -1.401 1.00 1.34 H new ATOM 0 HD22 LEU A 192 -3.864 -1.439 0.186 1.00 1.34 H new ATOM 0 HD23 LEU A 192 -3.614 -0.430 -1.258 1.00 1.34 H new ATOM 1934 N LEU A 193 -0.083 -2.141 -3.273 1.00 0.48 N ATOM 1935 CA LEU A 193 -0.268 -1.815 -4.670 1.00 0.58 C ATOM 1936 C LEU A 193 -1.758 -1.883 -4.994 1.00 0.61 C ATOM 1937 O LEU A 193 -2.412 -2.897 -4.737 1.00 0.64 O ATOM 1938 CB LEU A 193 0.533 -2.793 -5.556 1.00 0.65 C ATOM 1939 CG LEU A 193 0.567 -2.492 -7.068 1.00 0.76 C ATOM 1940 CD1 LEU A 193 1.608 -3.358 -7.757 1.00 1.36 C ATOM 1941 CD2 LEU A 193 -0.786 -2.738 -7.716 1.00 1.47 C ATOM 0 H LEU A 193 -0.207 -3.129 -3.051 1.00 0.48 H new ATOM 0 HA LEU A 193 0.099 -0.808 -4.870 1.00 0.58 H new ATOM 0 HB2 LEU A 193 1.560 -2.819 -5.191 1.00 0.65 H new ATOM 0 HB3 LEU A 193 0.121 -3.792 -5.418 1.00 0.65 H new ATOM 0 HG LEU A 193 0.825 -1.439 -7.182 1.00 0.76 H new ATOM 0 HD11 LEU A 193 1.620 -3.134 -8.824 1.00 1.36 H new ATOM 0 HD12 LEU A 193 2.591 -3.153 -7.332 1.00 1.36 H new ATOM 0 HD13 LEU A 193 1.361 -4.410 -7.610 1.00 1.36 H new ATOM 0 HD21 LEU A 193 -0.725 -2.516 -8.781 1.00 1.47 H new ATOM 0 HD22 LEU A 193 -1.071 -3.781 -7.579 1.00 1.47 H new ATOM 0 HD23 LEU A 193 -1.534 -2.094 -7.253 1.00 1.47 H new ATOM 1953 N ARG A 194 -2.295 -0.799 -5.533 1.00 0.67 N ATOM 1954 CA ARG A 194 -3.671 -0.782 -6.005 1.00 0.73 C ATOM 1955 C ARG A 194 -3.809 0.157 -7.197 1.00 0.79 C ATOM 1956 O ARG A 194 -3.485 1.340 -7.108 1.00 0.92 O ATOM 1957 CB ARG A 194 -4.621 -0.363 -4.883 1.00 0.83 C ATOM 1958 CG ARG A 194 -6.085 -0.371 -5.297 1.00 0.96 C ATOM 1959 CD ARG A 194 -7.004 -0.173 -4.103 1.00 1.01 C ATOM 1960 NE ARG A 194 -6.868 -1.253 -3.125 1.00 1.54 N ATOM 1961 CZ ARG A 194 -7.534 -1.302 -1.972 1.00 2.04 C ATOM 1962 NH1 ARG A 194 -8.396 -0.342 -1.657 1.00 2.27 N ATOM 1963 NH2 ARG A 194 -7.337 -2.315 -1.135 1.00 2.86 N ATOM 0 H ARG A 194 -1.797 0.083 -5.655 1.00 0.67 H new ATOM 0 HA ARG A 194 -3.939 -1.790 -6.322 1.00 0.73 H new ATOM 0 HB2 ARG A 194 -4.487 -1.034 -4.034 1.00 0.83 H new ATOM 0 HB3 ARG A 194 -4.352 0.637 -4.544 1.00 0.83 H new ATOM 0 HG2 ARG A 194 -6.262 0.418 -6.028 1.00 0.96 H new ATOM 0 HG3 ARG A 194 -6.321 -1.316 -5.786 1.00 0.96 H new ATOM 0 HD2 ARG A 194 -6.778 0.780 -3.625 1.00 1.01 H new ATOM 0 HD3 ARG A 194 -8.038 -0.121 -4.445 1.00 1.01 H new ATOM 0 HE ARG A 194 -6.224 -2.015 -3.339 1.00 1.54 H new ATOM 0 HH11 ARG A 194 -8.550 0.436 -2.299 1.00 2.27 H new ATOM 0 HH12 ARG A 194 -8.904 -0.383 -0.774 1.00 2.27 H new ATOM 0 HH21 ARG A 194 -6.676 -3.054 -1.375 1.00 2.86 H new ATOM 0 HH22 ARG A 194 -7.846 -2.353 -0.252 1.00 2.86 H new ATOM 1977 N ARG A 195 -4.287 -0.369 -8.313 1.00 0.85 N ATOM 1978 CA ARG A 195 -4.433 0.433 -9.519 1.00 0.94 C ATOM 1979 C ARG A 195 -5.736 1.202 -9.497 1.00 1.05 C ATOM 1980 O ARG A 195 -6.794 0.707 -9.876 1.00 1.43 O ATOM 1981 CB ARG A 195 -4.313 -0.420 -10.791 1.00 1.08 C ATOM 1982 CG ARG A 195 -5.178 -1.668 -10.799 1.00 1.07 C ATOM 1983 CD ARG A 195 -5.088 -2.396 -12.129 1.00 1.26 C ATOM 1984 NE ARG A 195 -5.723 -3.709 -12.069 1.00 1.14 N ATOM 1985 CZ ARG A 195 -5.530 -4.678 -12.960 1.00 1.41 C ATOM 1986 NH1 ARG A 195 -4.719 -4.491 -13.997 1.00 1.79 N ATOM 1987 NH2 ARG A 195 -6.148 -5.846 -12.807 1.00 2.01 N ATOM 0 H ARG A 195 -4.579 -1.341 -8.410 1.00 0.85 H new ATOM 0 HA ARG A 195 -3.613 1.151 -9.537 1.00 0.94 H new ATOM 0 HB2 ARG A 195 -4.577 0.195 -11.651 1.00 1.08 H new ATOM 0 HB3 ARG A 195 -3.271 -0.715 -10.918 1.00 1.08 H new ATOM 0 HG2 ARG A 195 -4.865 -2.335 -9.996 1.00 1.07 H new ATOM 0 HG3 ARG A 195 -6.215 -1.395 -10.601 1.00 1.07 H new ATOM 0 HD2 ARG A 195 -5.564 -1.797 -12.905 1.00 1.26 H new ATOM 0 HD3 ARG A 195 -4.041 -2.510 -12.411 1.00 1.26 H new ATOM 0 HE ARG A 195 -6.357 -3.896 -11.292 1.00 1.14 H new ATOM 0 HH11 ARG A 195 -4.239 -3.599 -14.114 1.00 1.79 H new ATOM 0 HH12 ARG A 195 -4.577 -5.240 -14.675 1.00 1.79 H new ATOM 0 HH21 ARG A 195 -6.766 -5.995 -12.010 1.00 2.01 H new ATOM 0 HH22 ARG A 195 -6.004 -6.592 -13.487 1.00 2.01 H new ATOM 2001 N LYS A 196 -5.631 2.415 -9.007 1.00 1.10 N ATOM 2002 CA LYS A 196 -6.742 3.333 -8.947 1.00 1.22 C ATOM 2003 C LYS A 196 -6.994 3.947 -10.319 1.00 1.40 C ATOM 2004 O LYS A 196 -8.130 4.245 -10.681 1.00 2.26 O ATOM 2005 CB LYS A 196 -6.406 4.413 -7.927 1.00 1.40 C ATOM 2006 CG LYS A 196 -7.262 5.656 -8.006 1.00 1.16 C ATOM 2007 CD LYS A 196 -6.564 6.801 -7.307 1.00 1.16 C ATOM 2008 CE LYS A 196 -6.602 6.652 -5.794 1.00 1.32 C ATOM 2009 NZ LYS A 196 -7.990 6.559 -5.272 1.00 1.72 N ATOM 0 H LYS A 196 -4.761 2.796 -8.635 1.00 1.10 H new ATOM 0 HA LYS A 196 -7.650 2.810 -8.648 1.00 1.22 H new ATOM 0 HB2 LYS A 196 -6.500 3.989 -6.927 1.00 1.40 H new ATOM 0 HB3 LYS A 196 -5.362 4.700 -8.055 1.00 1.40 H new ATOM 0 HG2 LYS A 196 -7.450 5.914 -9.048 1.00 1.16 H new ATOM 0 HG3 LYS A 196 -8.232 5.472 -7.543 1.00 1.16 H new ATOM 0 HD2 LYS A 196 -5.528 6.852 -7.641 1.00 1.16 H new ATOM 0 HD3 LYS A 196 -7.037 7.741 -7.591 1.00 1.16 H new ATOM 0 HE2 LYS A 196 -6.047 5.760 -5.505 1.00 1.32 H new ATOM 0 HE3 LYS A 196 -6.099 7.503 -5.334 1.00 1.32 H new ATOM 0 HZ1 LYS A 196 -7.999 6.813 -4.264 1.00 1.72 H new ATOM 0 HZ2 LYS A 196 -8.604 7.212 -5.800 1.00 1.72 H new ATOM 0 HZ3 LYS A 196 -8.340 5.586 -5.387 1.00 1.72 H new