USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 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 128 SER OG : rot 81:sc= 0.894 USER MOD Set 1.2: A 196 LYS NZ :NH3+ -161:sc= 0.0213 (180deg=-0.0213) USER MOD Single : A 85 MET CE :methyl 158:sc= -0.154 (180deg=-0.786) USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0367) USER MOD Single : A 92 MET CE :methyl 141:sc= -3.18! (180deg=-5.13!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -173:sc= -0.0391 (180deg=-0.0656) 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 107 THR OG1 : rot 84:sc= 1.36 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -148:sc= -2.63! (180deg=-3.68) USER MOD Single : A 113 MET CE :methyl 154:sc= -0.333 (180deg=-1.06) USER MOD Single : A 114 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 116 CYS SG : rot 72:sc= 1.08 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.392 K(o=-0.39,f=-3.3!) USER MOD Single : A 124 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 ASN : amide:sc= 0.00423 X(o=0.0042,f=0) USER MOD Single : A 176 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-0.32) USER MOD Single : A 179 THR OG1 : rot -85:sc= 1.19 USER MOD Single : A 183 GLN : amide:sc= -1.64! C(o=-1.6!,f=-6.3!) USER MOD Single : A 188 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.53) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N MET A 85 20.435 -3.811 2.583 1.00 1.73 N ATOM 142 CA MET A 85 19.296 -4.715 2.586 1.00 1.50 C ATOM 143 C MET A 85 18.319 -4.355 3.694 1.00 1.22 C ATOM 144 O MET A 85 18.624 -4.501 4.878 1.00 1.24 O ATOM 145 CB MET A 85 19.749 -6.170 2.745 1.00 1.69 C ATOM 146 CG MET A 85 20.588 -6.682 1.586 1.00 2.17 C ATOM 147 SD MET A 85 21.015 -8.427 1.749 1.00 2.25 S ATOM 148 CE MET A 85 19.389 -9.180 1.699 1.00 2.83 C ATOM 0 HA MET A 85 18.791 -4.610 1.626 1.00 1.50 H new ATOM 0 HB2 MET A 85 20.324 -6.263 3.666 1.00 1.69 H new ATOM 0 HB3 MET A 85 18.869 -6.805 2.853 1.00 1.69 H new ATOM 0 HG2 MET A 85 20.042 -6.532 0.654 1.00 2.17 H new ATOM 0 HG3 MET A 85 21.503 -6.094 1.518 1.00 2.17 H new ATOM 0 HE1 MET A 85 19.481 -10.224 1.399 1.00 2.83 H new ATOM 0 HE2 MET A 85 18.932 -9.125 2.687 1.00 2.83 H new ATOM 0 HE3 MET A 85 18.764 -8.649 0.981 1.00 2.83 H new ATOM 158 N ARG A 86 17.160 -3.853 3.305 1.00 1.11 N ATOM 159 CA ARG A 86 16.085 -3.612 4.249 1.00 1.09 C ATOM 160 C ARG A 86 14.867 -4.439 3.847 1.00 0.90 C ATOM 161 O ARG A 86 14.478 -4.452 2.679 1.00 0.83 O ATOM 162 CB ARG A 86 15.726 -2.121 4.323 1.00 1.42 C ATOM 163 CG ARG A 86 14.940 -1.616 3.129 1.00 1.04 C ATOM 164 CD ARG A 86 14.444 -0.199 3.333 1.00 1.23 C ATOM 165 NE ARG A 86 15.443 0.798 2.954 1.00 1.82 N ATOM 166 CZ ARG A 86 15.885 1.754 3.768 1.00 2.48 C ATOM 167 NH1 ARG A 86 15.517 1.777 5.042 1.00 2.60 N ATOM 168 NH2 ARG A 86 16.727 2.667 3.314 1.00 3.32 N ATOM 0 H ARG A 86 16.940 -3.604 2.341 1.00 1.11 H new ATOM 0 HA ARG A 86 16.419 -3.914 5.242 1.00 1.09 H new ATOM 0 HB2 ARG A 86 15.146 -1.942 5.229 1.00 1.42 H new ATOM 0 HB3 ARG A 86 16.644 -1.541 4.412 1.00 1.42 H new ATOM 0 HG2 ARG A 86 15.568 -1.656 2.239 1.00 1.04 H new ATOM 0 HG3 ARG A 86 14.091 -2.275 2.949 1.00 1.04 H new ATOM 0 HD2 ARG A 86 13.539 -0.045 2.745 1.00 1.23 H new ATOM 0 HD3 ARG A 86 14.172 -0.059 4.379 1.00 1.23 H new ATOM 0 HE ARG A 86 15.825 0.759 2.009 1.00 1.82 H new ATOM 0 HH11 ARG A 86 14.891 1.058 5.405 1.00 2.60 H new ATOM 0 HH12 ARG A 86 15.860 2.513 5.659 1.00 2.60 H new ATOM 0 HH21 ARG A 86 17.036 2.637 2.342 1.00 3.32 H new ATOM 0 HH22 ARG A 86 17.067 3.401 3.935 1.00 3.32 H new ATOM 182 N PRO A 87 14.284 -5.186 4.787 1.00 0.91 N ATOM 183 CA PRO A 87 13.089 -5.978 4.517 1.00 0.80 C ATOM 184 C PRO A 87 11.825 -5.121 4.495 1.00 0.73 C ATOM 185 O PRO A 87 11.452 -4.518 5.505 1.00 0.88 O ATOM 186 CB PRO A 87 13.058 -6.962 5.684 1.00 0.99 C ATOM 187 CG PRO A 87 13.718 -6.234 6.806 1.00 1.24 C ATOM 188 CD PRO A 87 14.744 -5.327 6.181 1.00 1.12 C ATOM 0 HA PRO A 87 13.119 -6.459 3.539 1.00 0.80 H new ATOM 0 HB2 PRO A 87 12.036 -7.242 5.940 1.00 0.99 H new ATOM 0 HB3 PRO A 87 13.589 -7.882 5.441 1.00 0.99 H new ATOM 0 HG2 PRO A 87 12.989 -5.660 7.378 1.00 1.24 H new ATOM 0 HG3 PRO A 87 14.188 -6.932 7.499 1.00 1.24 H new ATOM 0 HD2 PRO A 87 14.788 -4.363 6.688 1.00 1.12 H new ATOM 0 HD3 PRO A 87 15.744 -5.759 6.231 1.00 1.12 H new ATOM 196 N LEU A 88 11.166 -5.072 3.351 1.00 0.56 N ATOM 197 CA LEU A 88 9.948 -4.290 3.211 1.00 0.53 C ATOM 198 C LEU A 88 8.790 -5.218 2.869 1.00 0.42 C ATOM 199 O LEU A 88 8.916 -6.088 2.003 1.00 0.40 O ATOM 200 CB LEU A 88 10.136 -3.216 2.126 1.00 0.58 C ATOM 201 CG LEU A 88 9.266 -1.957 2.259 1.00 1.02 C ATOM 202 CD1 LEU A 88 9.784 -0.863 1.337 1.00 1.45 C ATOM 203 CD2 LEU A 88 7.809 -2.256 1.941 1.00 1.60 C ATOM 0 H LEU A 88 11.453 -5.564 2.505 1.00 0.56 H new ATOM 0 HA LEU A 88 9.723 -3.784 4.150 1.00 0.53 H new ATOM 0 HB2 LEU A 88 11.182 -2.911 2.124 1.00 0.58 H new ATOM 0 HB3 LEU A 88 9.935 -3.670 1.156 1.00 0.58 H new ATOM 0 HG LEU A 88 9.325 -1.616 3.293 1.00 1.02 H new ATOM 0 HD11 LEU A 88 9.160 0.025 1.439 1.00 1.45 H new ATOM 0 HD12 LEU A 88 10.811 -0.617 1.605 1.00 1.45 H new ATOM 0 HD13 LEU A 88 9.752 -1.212 0.305 1.00 1.45 H new ATOM 0 HD21 LEU A 88 7.220 -1.345 2.044 1.00 1.60 H new ATOM 0 HD22 LEU A 88 7.728 -2.627 0.919 1.00 1.60 H new ATOM 0 HD23 LEU A 88 7.433 -3.011 2.632 1.00 1.60 H new ATOM 215 N LYS A 89 7.675 -5.049 3.564 1.00 0.41 N ATOM 216 CA LYS A 89 6.502 -5.872 3.321 1.00 0.36 C ATOM 217 C LYS A 89 5.592 -5.208 2.303 1.00 0.30 C ATOM 218 O LYS A 89 4.930 -4.211 2.599 1.00 0.33 O ATOM 219 CB LYS A 89 5.734 -6.125 4.618 1.00 0.46 C ATOM 220 CG LYS A 89 6.567 -6.803 5.691 1.00 0.63 C ATOM 221 CD LYS A 89 5.727 -7.153 6.906 1.00 1.12 C ATOM 222 CE LYS A 89 6.531 -7.929 7.933 1.00 1.44 C ATOM 223 NZ LYS A 89 7.630 -7.118 8.517 1.00 2.13 N ATOM 0 H LYS A 89 7.559 -4.351 4.299 1.00 0.41 H new ATOM 0 HA LYS A 89 6.839 -6.830 2.926 1.00 0.36 H new ATOM 0 HB2 LYS A 89 5.363 -5.175 5.003 1.00 0.46 H new ATOM 0 HB3 LYS A 89 4.863 -6.743 4.401 1.00 0.46 H new ATOM 0 HG2 LYS A 89 7.018 -7.709 5.285 1.00 0.63 H new ATOM 0 HG3 LYS A 89 7.384 -6.146 5.989 1.00 0.63 H new ATOM 0 HD2 LYS A 89 5.342 -6.239 7.359 1.00 1.12 H new ATOM 0 HD3 LYS A 89 4.865 -7.743 6.596 1.00 1.12 H new ATOM 0 HE2 LYS A 89 5.869 -8.267 8.730 1.00 1.44 H new ATOM 0 HE3 LYS A 89 6.949 -8.821 7.466 1.00 1.44 H new ATOM 0 HZ1 LYS A 89 8.076 -7.646 9.295 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 8.340 -6.916 7.784 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 7.245 -6.223 8.882 1.00 2.13 H new ATOM 237 N ILE A 90 5.574 -5.748 1.100 1.00 0.27 N ATOM 238 CA ILE A 90 4.721 -5.219 0.055 1.00 0.26 C ATOM 239 C ILE A 90 3.471 -6.073 -0.091 1.00 0.26 C ATOM 240 O ILE A 90 3.519 -7.295 0.040 1.00 0.37 O ATOM 241 CB ILE A 90 5.467 -5.088 -1.300 1.00 0.33 C ATOM 242 CG1 ILE A 90 6.236 -6.367 -1.660 1.00 0.41 C ATOM 243 CG2 ILE A 90 6.415 -3.900 -1.265 1.00 0.43 C ATOM 244 CD1 ILE A 90 5.413 -7.400 -2.402 1.00 0.50 C ATOM 0 H ILE A 90 6.139 -6.551 0.823 1.00 0.27 H new ATOM 0 HA ILE A 90 4.425 -4.212 0.351 1.00 0.26 H new ATOM 0 HB ILE A 90 4.715 -4.929 -2.073 1.00 0.33 H new ATOM 0 HG12 ILE A 90 7.098 -6.099 -2.271 1.00 0.41 H new ATOM 0 HG13 ILE A 90 6.621 -6.816 -0.744 1.00 0.41 H new ATOM 0 HG21 ILE A 90 6.932 -3.819 -2.221 1.00 0.43 H new ATOM 0 HG22 ILE A 90 5.848 -2.987 -1.081 1.00 0.43 H new ATOM 0 HG23 ILE A 90 7.145 -4.041 -0.468 1.00 0.43 H new ATOM 0 HD11 ILE A 90 6.031 -8.271 -2.618 1.00 0.50 H new ATOM 0 HD12 ILE A 90 4.565 -7.700 -1.786 1.00 0.50 H new ATOM 0 HD13 ILE A 90 5.050 -6.973 -3.337 1.00 0.50 H new ATOM 256 N ARG A 91 2.350 -5.422 -0.319 1.00 0.23 N ATOM 257 CA ARG A 91 1.086 -6.113 -0.470 1.00 0.29 C ATOM 258 C ARG A 91 0.529 -5.834 -1.859 1.00 0.37 C ATOM 259 O ARG A 91 0.138 -4.709 -2.164 1.00 0.39 O ATOM 260 CB ARG A 91 0.108 -5.656 0.617 1.00 0.35 C ATOM 261 CG ARG A 91 -1.110 -6.552 0.769 1.00 0.51 C ATOM 262 CD ARG A 91 -1.997 -6.101 1.922 1.00 0.67 C ATOM 263 NE ARG A 91 -3.091 -7.042 2.163 1.00 1.05 N ATOM 264 CZ ARG A 91 -4.188 -6.758 2.864 1.00 1.32 C ATOM 265 NH1 ARG A 91 -4.363 -5.558 3.402 1.00 1.20 N ATOM 266 NH2 ARG A 91 -5.120 -7.683 3.036 1.00 2.24 N ATOM 0 H ARG A 91 2.288 -4.407 -0.404 1.00 0.23 H new ATOM 0 HA ARG A 91 1.234 -7.187 -0.359 1.00 0.29 H new ATOM 0 HB2 ARG A 91 0.635 -5.612 1.570 1.00 0.35 H new ATOM 0 HB3 ARG A 91 -0.225 -4.643 0.389 1.00 0.35 H new ATOM 0 HG2 ARG A 91 -1.685 -6.546 -0.157 1.00 0.51 H new ATOM 0 HG3 ARG A 91 -0.788 -7.580 0.937 1.00 0.51 H new ATOM 0 HD2 ARG A 91 -1.396 -6.002 2.826 1.00 0.67 H new ATOM 0 HD3 ARG A 91 -2.407 -5.115 1.702 1.00 0.67 H new ATOM 0 HE ARG A 91 -3.008 -7.979 1.768 1.00 1.05 H new ATOM 0 HH11 ARG A 91 -3.652 -4.837 3.282 1.00 1.20 H new ATOM 0 HH12 ARG A 91 -5.209 -5.357 3.936 1.00 1.20 H new ATOM 0 HH21 ARG A 91 -4.998 -8.612 2.632 1.00 2.24 H new ATOM 0 HH22 ARG A 91 -5.960 -7.467 3.572 1.00 2.24 H new ATOM 280 N MET A 92 0.522 -6.852 -2.708 1.00 0.54 N ATOM 281 CA MET A 92 0.163 -6.663 -4.109 1.00 0.67 C ATOM 282 C MET A 92 -1.344 -6.670 -4.306 1.00 0.64 C ATOM 283 O MET A 92 -2.114 -6.717 -3.342 1.00 0.92 O ATOM 284 CB MET A 92 0.789 -7.740 -5.000 1.00 0.88 C ATOM 285 CG MET A 92 2.280 -7.971 -4.771 1.00 1.00 C ATOM 286 SD MET A 92 3.334 -6.749 -5.589 1.00 1.34 S ATOM 287 CE MET A 92 3.170 -5.326 -4.519 1.00 1.05 C ATOM 0 H MET A 92 0.759 -7.811 -2.455 1.00 0.54 H new ATOM 0 HA MET A 92 0.555 -5.688 -4.399 1.00 0.67 H new ATOM 0 HB2 MET A 92 0.261 -8.679 -4.837 1.00 0.88 H new ATOM 0 HB3 MET A 92 0.634 -7.464 -6.043 1.00 0.88 H new ATOM 0 HG2 MET A 92 2.482 -7.954 -3.700 1.00 1.00 H new ATOM 0 HG3 MET A 92 2.545 -8.966 -5.130 1.00 1.00 H new ATOM 0 HE1 MET A 92 4.135 -4.827 -4.427 1.00 1.05 H new ATOM 0 HE2 MET A 92 2.442 -4.634 -4.943 1.00 1.05 H new ATOM 0 HE3 MET A 92 2.833 -5.649 -3.534 1.00 1.05 H new ATOM 297 N LEU A 93 -1.728 -6.697 -5.577 1.00 0.74 N ATOM 298 CA LEU A 93 -3.104 -6.491 -6.021 1.00 0.79 C ATOM 299 C LEU A 93 -4.072 -7.462 -5.358 1.00 1.05 C ATOM 300 O LEU A 93 -5.166 -7.080 -4.945 1.00 1.17 O ATOM 301 CB LEU A 93 -3.187 -6.652 -7.545 1.00 0.75 C ATOM 302 CG LEU A 93 -2.487 -5.577 -8.397 1.00 0.89 C ATOM 303 CD1 LEU A 93 -3.015 -4.190 -8.062 1.00 1.49 C ATOM 304 CD2 LEU A 93 -0.971 -5.616 -8.248 1.00 1.23 C ATOM 0 H LEU A 93 -1.078 -6.866 -6.345 1.00 0.74 H new ATOM 0 HA LEU A 93 -3.393 -5.481 -5.731 1.00 0.79 H new ATOM 0 HB2 LEU A 93 -2.764 -7.622 -7.807 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -4.240 -6.676 -7.827 1.00 0.75 H new ATOM 0 HG LEU A 93 -2.718 -5.802 -9.438 1.00 0.89 H new ATOM 0 HD11 LEU A 93 -2.505 -3.448 -8.677 1.00 1.49 H new ATOM 0 HD12 LEU A 93 -4.086 -4.151 -8.260 1.00 1.49 H new ATOM 0 HD13 LEU A 93 -2.833 -3.976 -7.009 1.00 1.49 H new ATOM 0 HD21 LEU A 93 -0.524 -4.839 -8.868 1.00 1.23 H new ATOM 0 HD22 LEU A 93 -0.703 -5.446 -7.205 1.00 1.23 H new ATOM 0 HD23 LEU A 93 -0.599 -6.591 -8.564 1.00 1.23 H new ATOM 316 N ASP A 94 -3.664 -8.717 -5.252 1.00 1.47 N ATOM 317 CA ASP A 94 -4.511 -9.751 -4.665 1.00 1.97 C ATOM 318 C ASP A 94 -4.539 -9.656 -3.147 1.00 1.17 C ATOM 319 O ASP A 94 -5.105 -10.514 -2.471 1.00 1.38 O ATOM 320 CB ASP A 94 -4.040 -11.140 -5.096 1.00 2.91 C ATOM 321 CG ASP A 94 -4.425 -11.459 -6.524 1.00 3.61 C ATOM 322 OD1 ASP A 94 -3.629 -11.159 -7.436 1.00 4.21 O ATOM 323 OD2 ASP A 94 -5.517 -12.025 -6.742 1.00 3.80 O ATOM 0 H ASP A 94 -2.751 -9.047 -5.564 1.00 1.47 H new ATOM 0 HA ASP A 94 -5.525 -9.590 -5.031 1.00 1.97 H new ATOM 0 HB2 ASP A 94 -2.957 -11.203 -4.991 1.00 2.91 H new ATOM 0 HB3 ASP A 94 -4.468 -11.889 -4.430 1.00 2.91 H new ATOM 328 N GLY A 95 -3.926 -8.606 -2.618 1.00 0.66 N ATOM 329 CA GLY A 95 -3.898 -8.400 -1.188 1.00 1.19 C ATOM 330 C GLY A 95 -2.865 -9.268 -0.514 1.00 1.02 C ATOM 331 O GLY A 95 -2.879 -9.430 0.706 1.00 1.18 O ATOM 0 H GLY A 95 -3.445 -7.889 -3.161 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -3.685 -7.352 -0.976 1.00 1.19 H new ATOM 0 HA3 GLY A 95 -4.882 -8.616 -0.771 1.00 1.19 H new ATOM 335 N THR A 96 -1.953 -9.815 -1.304 1.00 0.83 N ATOM 336 CA THR A 96 -0.953 -10.727 -0.775 1.00 0.83 C ATOM 337 C THR A 96 0.303 -9.971 -0.354 1.00 0.62 C ATOM 338 O THR A 96 0.755 -9.060 -1.049 1.00 0.62 O ATOM 339 CB THR A 96 -0.594 -11.839 -1.789 1.00 1.12 C ATOM 340 OG1 THR A 96 0.329 -12.767 -1.199 1.00 1.55 O ATOM 341 CG2 THR A 96 0.009 -11.261 -3.061 1.00 1.67 C ATOM 0 H THR A 96 -1.886 -9.644 -2.307 1.00 0.83 H new ATOM 0 HA THR A 96 -1.387 -11.205 0.103 1.00 0.83 H new ATOM 0 HB THR A 96 -1.517 -12.356 -2.052 1.00 1.12 H new ATOM 0 HG1 THR A 96 0.548 -13.468 -1.848 1.00 1.55 H new ATOM 0 HG21 THR A 96 0.249 -12.071 -3.750 1.00 1.67 H new ATOM 0 HG22 THR A 96 -0.707 -10.586 -3.529 1.00 1.67 H new ATOM 0 HG23 THR A 96 0.918 -10.712 -2.816 1.00 1.67 H new ATOM 349 N VAL A 97 0.847 -10.344 0.795 1.00 0.56 N ATOM 350 CA VAL A 97 2.029 -9.687 1.331 1.00 0.46 C ATOM 351 C VAL A 97 3.273 -10.514 1.035 1.00 0.46 C ATOM 352 O VAL A 97 3.243 -11.745 1.106 1.00 0.57 O ATOM 353 CB VAL A 97 1.918 -9.469 2.857 1.00 0.54 C ATOM 354 CG1 VAL A 97 3.105 -8.669 3.380 1.00 0.69 C ATOM 355 CG2 VAL A 97 0.607 -8.780 3.209 1.00 0.96 C ATOM 0 H VAL A 97 0.487 -11.101 1.376 1.00 0.56 H new ATOM 0 HA VAL A 97 2.106 -8.713 0.847 1.00 0.46 H new ATOM 0 HB VAL A 97 1.930 -10.446 3.340 1.00 0.54 H new ATOM 0 HG11 VAL A 97 3.004 -8.529 4.456 1.00 0.69 H new ATOM 0 HG12 VAL A 97 4.028 -9.209 3.170 1.00 0.69 H new ATOM 0 HG13 VAL A 97 3.133 -7.696 2.889 1.00 0.69 H new ATOM 0 HG21 VAL A 97 0.550 -8.636 4.288 1.00 0.96 H new ATOM 0 HG22 VAL A 97 0.560 -7.812 2.711 1.00 0.96 H new ATOM 0 HG23 VAL A 97 -0.229 -9.398 2.880 1.00 0.96 H new ATOM 365 N LYS A 98 4.350 -9.838 0.676 1.00 0.43 N ATOM 366 CA LYS A 98 5.620 -10.495 0.426 1.00 0.49 C ATOM 367 C LYS A 98 6.756 -9.651 0.976 1.00 0.45 C ATOM 368 O LYS A 98 6.769 -8.429 0.819 1.00 0.40 O ATOM 369 CB LYS A 98 5.821 -10.714 -1.073 1.00 0.56 C ATOM 370 CG LYS A 98 7.040 -11.553 -1.425 1.00 0.68 C ATOM 371 CD LYS A 98 6.934 -12.965 -0.875 1.00 1.20 C ATOM 372 CE LYS A 98 8.131 -13.806 -1.287 1.00 1.69 C ATOM 373 NZ LYS A 98 8.058 -15.187 -0.745 1.00 1.78 N ATOM 0 H LYS A 98 4.369 -8.826 0.550 1.00 0.43 H new ATOM 0 HA LYS A 98 5.615 -11.464 0.926 1.00 0.49 H new ATOM 0 HB2 LYS A 98 4.932 -11.197 -1.480 1.00 0.56 H new ATOM 0 HB3 LYS A 98 5.909 -9.744 -1.562 1.00 0.56 H new ATOM 0 HG2 LYS A 98 7.153 -11.593 -2.508 1.00 0.68 H new ATOM 0 HG3 LYS A 98 7.936 -11.075 -1.029 1.00 0.68 H new ATOM 0 HD2 LYS A 98 6.867 -12.931 0.212 1.00 1.20 H new ATOM 0 HD3 LYS A 98 6.017 -13.431 -1.236 1.00 1.20 H new ATOM 0 HE2 LYS A 98 8.187 -13.847 -2.375 1.00 1.69 H new ATOM 0 HE3 LYS A 98 9.046 -13.328 -0.938 1.00 1.69 H new ATOM 0 HZ1 LYS A 98 8.894 -15.725 -1.051 1.00 1.78 H new ATOM 0 HZ2 LYS A 98 8.030 -15.151 0.294 1.00 1.78 H new ATOM 0 HZ3 LYS A 98 7.198 -15.654 -1.098 1.00 1.78 H new ATOM 387 N THR A 99 7.689 -10.302 1.638 1.00 0.52 N ATOM 388 CA THR A 99 8.883 -9.640 2.117 1.00 0.55 C ATOM 389 C THR A 99 9.916 -9.553 1.001 1.00 0.54 C ATOM 390 O THR A 99 10.435 -10.572 0.538 1.00 0.65 O ATOM 391 CB THR A 99 9.487 -10.400 3.309 1.00 0.69 C ATOM 392 OG1 THR A 99 8.538 -10.458 4.387 1.00 0.78 O ATOM 393 CG2 THR A 99 10.777 -9.741 3.785 1.00 0.76 C ATOM 0 H THR A 99 7.642 -11.297 1.858 1.00 0.52 H new ATOM 0 HA THR A 99 8.607 -8.636 2.440 1.00 0.55 H new ATOM 0 HB THR A 99 9.724 -11.412 2.981 1.00 0.69 H new ATOM 0 HG1 THR A 99 8.930 -10.945 5.142 1.00 0.78 H new ATOM 0 HG21 THR A 99 11.181 -10.300 4.629 1.00 0.76 H new ATOM 0 HG22 THR A 99 11.503 -9.734 2.972 1.00 0.76 H new ATOM 0 HG23 THR A 99 10.570 -8.717 4.095 1.00 0.76 H new ATOM 401 N ILE A 100 10.191 -8.342 0.557 1.00 0.47 N ATOM 402 CA ILE A 100 11.183 -8.117 -0.478 1.00 0.51 C ATOM 403 C ILE A 100 12.312 -7.251 0.060 1.00 0.53 C ATOM 404 O ILE A 100 12.073 -6.308 0.818 1.00 0.55 O ATOM 405 CB ILE A 100 10.552 -7.474 -1.732 1.00 0.55 C ATOM 406 CG1 ILE A 100 9.635 -8.500 -2.407 1.00 0.62 C ATOM 407 CG2 ILE A 100 11.622 -6.970 -2.700 1.00 0.63 C ATOM 408 CD1 ILE A 100 9.023 -8.019 -3.699 1.00 1.06 C ATOM 0 H ILE A 100 9.739 -7.494 0.899 1.00 0.47 H new ATOM 0 HA ILE A 100 11.590 -9.084 -0.774 1.00 0.51 H new ATOM 0 HB ILE A 100 9.966 -6.606 -1.432 1.00 0.55 H new ATOM 0 HG12 ILE A 100 10.205 -9.408 -2.603 1.00 0.62 H new ATOM 0 HG13 ILE A 100 8.836 -8.768 -1.716 1.00 0.62 H new ATOM 0 HG21 ILE A 100 11.143 -6.523 -3.571 1.00 0.63 H new ATOM 0 HG22 ILE A 100 12.240 -6.222 -2.202 1.00 0.63 H new ATOM 0 HG23 ILE A 100 12.247 -7.804 -3.018 1.00 0.63 H new ATOM 0 HD11 ILE A 100 8.388 -8.802 -4.114 1.00 1.06 H new ATOM 0 HD12 ILE A 100 8.424 -7.129 -3.508 1.00 1.06 H new ATOM 0 HD13 ILE A 100 9.814 -7.779 -4.409 1.00 1.06 H new ATOM 420 N MET A 101 13.539 -7.594 -0.304 1.00 0.61 N ATOM 421 CA MET A 101 14.690 -6.827 0.130 1.00 0.68 C ATOM 422 C MET A 101 14.775 -5.542 -0.672 1.00 0.76 C ATOM 423 O MET A 101 14.620 -5.543 -1.894 1.00 0.88 O ATOM 424 CB MET A 101 15.998 -7.618 -0.018 1.00 0.79 C ATOM 425 CG MET A 101 16.429 -7.853 -1.461 1.00 1.18 C ATOM 426 SD MET A 101 18.143 -7.367 -1.772 1.00 1.64 S ATOM 427 CE MET A 101 18.056 -5.581 -1.596 1.00 1.04 C ATOM 0 H MET A 101 13.759 -8.395 -0.896 1.00 0.61 H new ATOM 0 HA MET A 101 14.560 -6.601 1.188 1.00 0.68 H new ATOM 0 HB2 MET A 101 16.793 -7.085 0.504 1.00 0.79 H new ATOM 0 HB3 MET A 101 15.884 -8.583 0.476 1.00 0.79 H new ATOM 0 HG2 MET A 101 16.306 -8.908 -1.704 1.00 1.18 H new ATOM 0 HG3 MET A 101 15.772 -7.294 -2.127 1.00 1.18 H new ATOM 0 HE1 MET A 101 19.011 -5.140 -1.883 1.00 1.04 H new ATOM 0 HE2 MET A 101 17.268 -5.190 -2.240 1.00 1.04 H new ATOM 0 HE3 MET A 101 17.836 -5.328 -0.559 1.00 1.04 H new ATOM 437 N VAL A 102 14.989 -4.448 0.016 1.00 0.79 N ATOM 438 CA VAL A 102 15.178 -3.177 -0.641 1.00 0.95 C ATOM 439 C VAL A 102 16.547 -2.626 -0.302 1.00 1.08 C ATOM 440 O VAL A 102 17.006 -2.720 0.837 1.00 1.09 O ATOM 441 CB VAL A 102 14.122 -2.162 -0.209 1.00 1.00 C ATOM 442 CG1 VAL A 102 14.299 -0.844 -0.933 1.00 1.51 C ATOM 443 CG2 VAL A 102 12.719 -2.719 -0.404 1.00 1.14 C ATOM 0 H VAL A 102 15.037 -4.411 1.034 1.00 0.79 H new ATOM 0 HA VAL A 102 15.087 -3.342 -1.715 1.00 0.95 H new ATOM 0 HB VAL A 102 14.258 -1.970 0.855 1.00 1.00 H new ATOM 0 HG11 VAL A 102 13.532 -0.142 -0.604 1.00 1.51 H new ATOM 0 HG12 VAL A 102 15.285 -0.436 -0.710 1.00 1.51 H new ATOM 0 HG13 VAL A 102 14.208 -1.004 -2.007 1.00 1.51 H new ATOM 0 HG21 VAL A 102 11.986 -1.977 -0.089 1.00 1.14 H new ATOM 0 HG22 VAL A 102 12.565 -2.957 -1.456 1.00 1.14 H new ATOM 0 HG23 VAL A 102 12.600 -3.623 0.194 1.00 1.14 H new ATOM 453 N ASP A 103 17.189 -2.053 -1.287 1.00 1.23 N ATOM 454 CA ASP A 103 18.516 -1.500 -1.115 1.00 1.37 C ATOM 455 C ASP A 103 18.452 0.000 -0.999 1.00 1.31 C ATOM 456 O ASP A 103 19.158 0.626 -0.206 1.00 2.05 O ATOM 457 CB ASP A 103 19.376 -1.910 -2.301 1.00 1.53 C ATOM 458 CG ASP A 103 20.662 -1.107 -2.423 1.00 1.82 C ATOM 459 OD1 ASP A 103 21.668 -1.497 -1.791 1.00 1.99 O ATOM 460 OD2 ASP A 103 20.678 -0.084 -3.140 1.00 2.12 O ATOM 0 H ASP A 103 16.812 -1.955 -2.230 1.00 1.23 H new ATOM 0 HA ASP A 103 18.957 -1.886 -0.196 1.00 1.37 H new ATOM 0 HB2 ASP A 103 19.624 -2.968 -2.212 1.00 1.53 H new ATOM 0 HB3 ASP A 103 18.797 -1.795 -3.217 1.00 1.53 H new ATOM 465 N ASP A 104 17.551 0.540 -1.767 1.00 0.88 N ATOM 466 CA ASP A 104 17.431 1.976 -1.957 1.00 1.00 C ATOM 467 C ASP A 104 16.824 2.679 -0.746 1.00 1.19 C ATOM 468 O ASP A 104 16.258 2.048 0.152 1.00 1.92 O ATOM 469 CB ASP A 104 16.584 2.261 -3.198 1.00 1.84 C ATOM 470 CG ASP A 104 17.131 1.575 -4.430 1.00 2.59 C ATOM 471 OD1 ASP A 104 16.759 0.411 -4.682 1.00 2.95 O ATOM 472 OD2 ASP A 104 17.944 2.189 -5.147 1.00 3.23 O ATOM 0 H ASP A 104 16.864 -0.003 -2.291 1.00 0.88 H new ATOM 0 HA ASP A 104 18.438 2.371 -2.088 1.00 1.00 H new ATOM 0 HB2 ASP A 104 15.561 1.928 -3.022 1.00 1.84 H new ATOM 0 HB3 ASP A 104 16.544 3.337 -3.370 1.00 1.84 H new ATOM 477 N SER A 105 16.981 3.994 -0.732 1.00 1.46 N ATOM 478 CA SER A 105 16.364 4.854 0.268 1.00 2.15 C ATOM 479 C SER A 105 15.827 6.111 -0.411 1.00 1.93 C ATOM 480 O SER A 105 15.348 7.037 0.243 1.00 2.30 O ATOM 481 CB SER A 105 17.397 5.238 1.330 1.00 2.94 C ATOM 482 OG SER A 105 18.518 5.871 0.733 1.00 3.13 O ATOM 0 H SER A 105 17.543 4.498 -1.418 1.00 1.46 H new ATOM 0 HA SER A 105 15.543 4.322 0.749 1.00 2.15 H new ATOM 0 HB2 SER A 105 16.943 5.906 2.062 1.00 2.94 H new ATOM 0 HB3 SER A 105 17.720 4.347 1.869 1.00 2.94 H new ATOM 0 HG SER A 105 19.167 6.111 1.427 1.00 3.13 H new ATOM 488 N LYS A 106 15.896 6.117 -1.738 1.00 1.65 N ATOM 489 CA LYS A 106 15.614 7.310 -2.522 1.00 1.78 C ATOM 490 C LYS A 106 14.194 7.291 -3.089 1.00 1.42 C ATOM 491 O LYS A 106 13.269 6.792 -2.449 1.00 2.04 O ATOM 492 CB LYS A 106 16.651 7.437 -3.645 1.00 2.36 C ATOM 493 CG LYS A 106 16.837 6.169 -4.465 1.00 2.91 C ATOM 494 CD LYS A 106 17.928 6.337 -5.510 1.00 3.40 C ATOM 495 CE LYS A 106 18.126 5.064 -6.315 1.00 4.35 C ATOM 496 NZ LYS A 106 19.156 5.224 -7.374 1.00 4.92 N ATOM 0 H LYS A 106 16.147 5.301 -2.295 1.00 1.65 H new ATOM 0 HA LYS A 106 15.682 8.179 -1.868 1.00 1.78 H new ATOM 0 HB2 LYS A 106 16.353 8.247 -4.311 1.00 2.36 H new ATOM 0 HB3 LYS A 106 17.610 7.719 -3.210 1.00 2.36 H new ATOM 0 HG2 LYS A 106 17.090 5.340 -3.803 1.00 2.91 H new ATOM 0 HG3 LYS A 106 15.899 5.911 -4.955 1.00 2.91 H new ATOM 0 HD2 LYS A 106 17.669 7.156 -6.180 1.00 3.40 H new ATOM 0 HD3 LYS A 106 18.863 6.609 -5.021 1.00 3.40 H new ATOM 0 HE2 LYS A 106 18.418 4.255 -5.646 1.00 4.35 H new ATOM 0 HE3 LYS A 106 17.180 4.774 -6.772 1.00 4.35 H new ATOM 0 HZ1 LYS A 106 19.257 4.331 -7.897 1.00 4.92 H new ATOM 0 HZ2 LYS A 106 18.866 5.978 -8.029 1.00 4.92 H new ATOM 0 HZ3 LYS A 106 20.066 5.475 -6.938 1.00 4.92 H new ATOM 510 N THR A 107 14.044 7.858 -4.281 1.00 1.10 N ATOM 511 CA THR A 107 12.750 8.003 -4.935 1.00 0.79 C ATOM 512 C THR A 107 11.992 6.680 -5.053 1.00 0.61 C ATOM 513 O THR A 107 12.575 5.630 -5.332 1.00 0.63 O ATOM 514 CB THR A 107 12.937 8.625 -6.327 1.00 0.92 C ATOM 515 OG1 THR A 107 14.226 8.265 -6.848 1.00 1.28 O ATOM 516 CG2 THR A 107 12.814 10.138 -6.263 1.00 1.08 C ATOM 0 H THR A 107 14.822 8.232 -4.824 1.00 1.10 H new ATOM 0 HA THR A 107 12.147 8.660 -4.308 1.00 0.79 H new ATOM 0 HB THR A 107 12.156 8.243 -6.985 1.00 0.92 H new ATOM 0 HG1 THR A 107 14.172 7.384 -7.274 1.00 1.28 H new ATOM 0 HG21 THR A 107 12.950 10.557 -7.260 1.00 1.08 H new ATOM 0 HG22 THR A 107 11.827 10.407 -5.888 1.00 1.08 H new ATOM 0 HG23 THR A 107 13.577 10.537 -5.595 1.00 1.08 H new ATOM 524 N VAL A 108 10.680 6.754 -4.852 1.00 0.57 N ATOM 525 CA VAL A 108 9.823 5.576 -4.838 1.00 0.44 C ATOM 526 C VAL A 108 9.769 4.900 -6.210 1.00 0.41 C ATOM 527 O VAL A 108 9.659 3.678 -6.297 1.00 0.40 O ATOM 528 CB VAL A 108 8.390 5.944 -4.377 1.00 0.42 C ATOM 529 CG1 VAL A 108 7.442 4.766 -4.506 1.00 0.35 C ATOM 530 CG2 VAL A 108 8.400 6.436 -2.938 1.00 0.56 C ATOM 0 H VAL A 108 10.183 7.631 -4.695 1.00 0.57 H new ATOM 0 HA VAL A 108 10.256 4.871 -4.128 1.00 0.44 H new ATOM 0 HB VAL A 108 8.035 6.742 -5.029 1.00 0.42 H new ATOM 0 HG11 VAL A 108 6.447 5.062 -4.174 1.00 0.35 H new ATOM 0 HG12 VAL A 108 7.397 4.448 -5.547 1.00 0.35 H new ATOM 0 HG13 VAL A 108 7.800 3.941 -3.890 1.00 0.35 H new ATOM 0 HG21 VAL A 108 7.385 6.689 -2.633 1.00 0.56 H new ATOM 0 HG22 VAL A 108 8.789 5.652 -2.288 1.00 0.56 H new ATOM 0 HG23 VAL A 108 9.033 7.320 -2.860 1.00 0.56 H new ATOM 540 N THR A 109 9.857 5.693 -7.277 1.00 0.46 N ATOM 541 CA THR A 109 9.755 5.166 -8.637 1.00 0.53 C ATOM 542 C THR A 109 10.721 4.003 -8.893 1.00 0.56 C ATOM 543 O THR A 109 10.288 2.897 -9.212 1.00 0.63 O ATOM 544 CB THR A 109 9.974 6.273 -9.699 1.00 0.67 C ATOM 545 OG1 THR A 109 10.003 5.705 -11.014 1.00 1.39 O ATOM 546 CG2 THR A 109 11.259 7.048 -9.448 1.00 1.15 C ATOM 0 H THR A 109 9.999 6.702 -7.226 1.00 0.46 H new ATOM 0 HA THR A 109 8.739 4.784 -8.731 1.00 0.53 H new ATOM 0 HB THR A 109 9.138 6.968 -9.621 1.00 0.67 H new ATOM 0 HG1 THR A 109 10.140 6.416 -11.674 1.00 1.39 H new ATOM 0 HG21 THR A 109 11.377 7.815 -10.214 1.00 1.15 H new ATOM 0 HG22 THR A 109 11.214 7.519 -8.466 1.00 1.15 H new ATOM 0 HG23 THR A 109 12.108 6.366 -9.484 1.00 1.15 H new ATOM 554 N ASP A 110 12.013 4.241 -8.717 1.00 0.60 N ATOM 555 CA ASP A 110 13.025 3.248 -9.050 1.00 0.68 C ATOM 556 C ASP A 110 13.060 2.131 -8.018 1.00 0.58 C ATOM 557 O ASP A 110 13.315 0.972 -8.351 1.00 0.60 O ATOM 558 CB ASP A 110 14.402 3.905 -9.177 1.00 0.87 C ATOM 559 CG ASP A 110 14.775 4.723 -7.960 1.00 1.58 C ATOM 560 OD1 ASP A 110 15.372 4.164 -7.027 1.00 2.48 O ATOM 561 OD2 ASP A 110 14.470 5.936 -7.944 1.00 1.72 O ATOM 0 H ASP A 110 12.386 5.114 -8.345 1.00 0.60 H new ATOM 0 HA ASP A 110 12.759 2.809 -10.012 1.00 0.68 H new ATOM 0 HB2 ASP A 110 15.155 3.133 -9.335 1.00 0.87 H new ATOM 0 HB3 ASP A 110 14.414 4.547 -10.058 1.00 0.87 H new ATOM 566 N MET A 111 12.786 2.477 -6.773 1.00 0.54 N ATOM 567 CA MET A 111 12.738 1.494 -5.704 1.00 0.51 C ATOM 568 C MET A 111 11.612 0.494 -5.947 1.00 0.42 C ATOM 569 O MET A 111 11.834 -0.718 -5.997 1.00 0.46 O ATOM 570 CB MET A 111 12.530 2.187 -4.359 1.00 0.53 C ATOM 571 CG MET A 111 12.496 1.231 -3.180 1.00 0.59 C ATOM 572 SD MET A 111 12.160 2.071 -1.624 1.00 0.71 S ATOM 573 CE MET A 111 13.445 3.316 -1.644 1.00 0.82 C ATOM 0 H MET A 111 12.593 3.434 -6.476 1.00 0.54 H new ATOM 0 HA MET A 111 13.687 0.958 -5.688 1.00 0.51 H new ATOM 0 HB2 MET A 111 13.330 2.911 -4.206 1.00 0.53 H new ATOM 0 HB3 MET A 111 11.595 2.747 -4.389 1.00 0.53 H new ATOM 0 HG2 MET A 111 11.732 0.473 -3.353 1.00 0.59 H new ATOM 0 HG3 MET A 111 13.451 0.711 -3.110 1.00 0.59 H new ATOM 0 HE1 MET A 111 13.762 3.528 -0.623 1.00 0.82 H new ATOM 0 HE2 MET A 111 14.296 2.951 -2.219 1.00 0.82 H new ATOM 0 HE3 MET A 111 13.061 4.228 -2.102 1.00 0.82 H new ATOM 583 N LEU A 112 10.408 1.014 -6.128 1.00 0.36 N ATOM 584 CA LEU A 112 9.226 0.178 -6.249 1.00 0.34 C ATOM 585 C LEU A 112 9.157 -0.537 -7.592 1.00 0.38 C ATOM 586 O LEU A 112 8.647 -1.651 -7.661 1.00 0.37 O ATOM 587 CB LEU A 112 7.957 0.998 -6.010 1.00 0.34 C ATOM 588 CG LEU A 112 7.444 0.997 -4.563 1.00 0.42 C ATOM 589 CD1 LEU A 112 6.999 -0.399 -4.159 1.00 0.79 C ATOM 590 CD2 LEU A 112 8.508 1.509 -3.602 1.00 0.45 C ATOM 0 H LEU A 112 10.224 2.015 -6.194 1.00 0.36 H new ATOM 0 HA LEU A 112 9.299 -0.591 -5.480 1.00 0.34 H new ATOM 0 HB2 LEU A 112 8.147 2.028 -6.311 1.00 0.34 H new ATOM 0 HB3 LEU A 112 7.169 0.616 -6.659 1.00 0.34 H new ATOM 0 HG LEU A 112 6.588 1.670 -4.510 1.00 0.42 H new ATOM 0 HD11 LEU A 112 6.638 -0.382 -3.131 1.00 0.79 H new ATOM 0 HD12 LEU A 112 6.198 -0.731 -4.819 1.00 0.79 H new ATOM 0 HD13 LEU A 112 7.841 -1.086 -4.237 1.00 0.79 H new ATOM 0 HD21 LEU A 112 8.116 1.497 -2.585 1.00 0.45 H new ATOM 0 HD22 LEU A 112 9.388 0.869 -3.659 1.00 0.45 H new ATOM 0 HD23 LEU A 112 8.783 2.529 -3.873 1.00 0.45 H new ATOM 602 N MET A 113 9.672 0.080 -8.656 1.00 0.44 N ATOM 603 CA MET A 113 9.681 -0.579 -9.960 1.00 0.50 C ATOM 604 C MET A 113 10.552 -1.828 -9.893 1.00 0.50 C ATOM 605 O MET A 113 10.276 -2.829 -10.551 1.00 0.54 O ATOM 606 CB MET A 113 10.156 0.374 -11.070 1.00 0.60 C ATOM 607 CG MET A 113 11.630 0.749 -11.012 1.00 0.64 C ATOM 608 SD MET A 113 12.710 -0.447 -11.826 1.00 1.07 S ATOM 609 CE MET A 113 12.133 -0.336 -13.518 1.00 2.09 C ATOM 0 H MET A 113 10.080 1.015 -8.642 1.00 0.44 H new ATOM 0 HA MET A 113 8.661 -0.872 -10.211 1.00 0.50 H new ATOM 0 HB2 MET A 113 9.952 -0.088 -12.036 1.00 0.60 H new ATOM 0 HB3 MET A 113 9.563 1.287 -11.022 1.00 0.60 H new ATOM 0 HG2 MET A 113 11.767 1.725 -11.477 1.00 0.64 H new ATOM 0 HG3 MET A 113 11.931 0.847 -9.969 1.00 0.64 H new ATOM 0 HE1 MET A 113 12.937 -0.622 -14.196 1.00 2.09 H new ATOM 0 HE2 MET A 113 11.285 -1.006 -13.658 1.00 2.09 H new ATOM 0 HE3 MET A 113 11.826 0.688 -13.731 1.00 2.09 H new ATOM 619 N THR A 114 11.586 -1.765 -9.060 1.00 0.47 N ATOM 620 CA THR A 114 12.447 -2.907 -8.818 1.00 0.48 C ATOM 621 C THR A 114 11.695 -3.971 -8.024 1.00 0.41 C ATOM 622 O THR A 114 11.661 -5.134 -8.415 1.00 0.42 O ATOM 623 CB THR A 114 13.718 -2.480 -8.056 1.00 0.54 C ATOM 624 OG1 THR A 114 14.388 -1.443 -8.789 1.00 0.65 O ATOM 625 CG2 THR A 114 14.663 -3.657 -7.854 1.00 0.54 C ATOM 0 H THR A 114 11.845 -0.927 -8.540 1.00 0.47 H new ATOM 0 HA THR A 114 12.745 -3.323 -9.780 1.00 0.48 H new ATOM 0 HB THR A 114 13.422 -2.111 -7.074 1.00 0.54 H new ATOM 0 HG1 THR A 114 14.107 -0.568 -8.449 1.00 0.65 H new ATOM 0 HG21 THR A 114 15.549 -3.324 -7.314 1.00 0.54 H new ATOM 0 HG22 THR A 114 14.159 -4.434 -7.279 1.00 0.54 H new ATOM 0 HG23 THR A 114 14.958 -4.057 -8.824 1.00 0.54 H new ATOM 633 N ILE A 115 11.078 -3.549 -6.924 1.00 0.36 N ATOM 634 CA ILE A 115 10.277 -4.432 -6.079 1.00 0.35 C ATOM 635 C ILE A 115 9.201 -5.153 -6.890 1.00 0.34 C ATOM 636 O ILE A 115 9.059 -6.372 -6.801 1.00 0.36 O ATOM 637 CB ILE A 115 9.607 -3.642 -4.929 1.00 0.36 C ATOM 638 CG1 ILE A 115 10.673 -3.028 -4.017 1.00 0.40 C ATOM 639 CG2 ILE A 115 8.668 -4.538 -4.133 1.00 0.40 C ATOM 640 CD1 ILE A 115 10.101 -2.177 -2.903 1.00 0.43 C ATOM 0 H ILE A 115 11.119 -2.585 -6.592 1.00 0.36 H new ATOM 0 HA ILE A 115 10.956 -5.173 -5.657 1.00 0.35 H new ATOM 0 HB ILE A 115 9.015 -2.836 -5.363 1.00 0.36 H new ATOM 0 HG12 ILE A 115 11.271 -3.828 -3.581 1.00 0.40 H new ATOM 0 HG13 ILE A 115 11.347 -2.418 -4.619 1.00 0.40 H new ATOM 0 HG21 ILE A 115 8.209 -3.961 -3.330 1.00 0.40 H new ATOM 0 HG22 ILE A 115 7.891 -4.927 -4.791 1.00 0.40 H new ATOM 0 HG23 ILE A 115 9.231 -5.368 -3.707 1.00 0.40 H new ATOM 0 HD11 ILE A 115 10.914 -1.775 -2.298 1.00 0.43 H new ATOM 0 HD12 ILE A 115 9.527 -1.355 -3.331 1.00 0.43 H new ATOM 0 HD13 ILE A 115 9.450 -2.787 -2.277 1.00 0.43 H new ATOM 652 N CYS A 116 8.461 -4.401 -7.691 1.00 0.37 N ATOM 653 CA CYS A 116 7.407 -4.978 -8.511 1.00 0.44 C ATOM 654 C CYS A 116 7.994 -5.923 -9.558 1.00 0.45 C ATOM 655 O CYS A 116 7.396 -6.945 -9.899 1.00 0.51 O ATOM 656 CB CYS A 116 6.599 -3.870 -9.186 1.00 0.55 C ATOM 657 SG CYS A 116 5.912 -2.654 -8.039 1.00 1.30 S ATOM 0 H CYS A 116 8.571 -3.392 -7.790 1.00 0.37 H new ATOM 0 HA CYS A 116 6.743 -5.554 -7.866 1.00 0.44 H new ATOM 0 HB2 CYS A 116 7.237 -3.356 -9.904 1.00 0.55 H new ATOM 0 HB3 CYS A 116 5.784 -4.322 -9.751 1.00 0.55 H new ATOM 0 HG CYS A 116 6.869 -1.910 -7.571 1.00 1.30 H new ATOM 663 N ALA A 117 9.177 -5.586 -10.053 1.00 0.45 N ATOM 664 CA ALA A 117 9.871 -6.421 -11.023 1.00 0.50 C ATOM 665 C ALA A 117 10.367 -7.712 -10.381 1.00 0.45 C ATOM 666 O ALA A 117 10.523 -8.726 -11.059 1.00 0.51 O ATOM 667 CB ALA A 117 11.032 -5.663 -11.651 1.00 0.58 C ATOM 0 H ALA A 117 9.678 -4.735 -9.797 1.00 0.45 H new ATOM 0 HA ALA A 117 9.160 -6.682 -11.807 1.00 0.50 H new ATOM 0 HB1 ALA A 117 11.537 -6.305 -12.373 1.00 0.58 H new ATOM 0 HB2 ALA A 117 10.655 -4.774 -12.157 1.00 0.58 H new ATOM 0 HB3 ALA A 117 11.736 -5.367 -10.873 1.00 0.58 H new ATOM 673 N ARG A 118 10.616 -7.667 -9.071 1.00 0.41 N ATOM 674 CA ARG A 118 11.114 -8.832 -8.340 1.00 0.45 C ATOM 675 C ARG A 118 10.148 -10.007 -8.461 1.00 0.51 C ATOM 676 O ARG A 118 10.570 -11.160 -8.538 1.00 0.62 O ATOM 677 CB ARG A 118 11.348 -8.506 -6.859 1.00 0.47 C ATOM 678 CG ARG A 118 12.349 -7.384 -6.614 1.00 0.46 C ATOM 679 CD ARG A 118 13.663 -7.638 -7.341 1.00 0.53 C ATOM 680 NE ARG A 118 14.375 -8.807 -6.818 1.00 1.33 N ATOM 681 CZ ARG A 118 15.052 -9.669 -7.577 1.00 1.75 C ATOM 682 NH1 ARG A 118 15.071 -9.522 -8.896 1.00 1.63 N ATOM 683 NH2 ARG A 118 15.697 -10.683 -7.015 1.00 2.63 N ATOM 0 H ARG A 118 10.481 -6.836 -8.495 1.00 0.41 H new ATOM 0 HA ARG A 118 12.068 -9.110 -8.789 1.00 0.45 H new ATOM 0 HB2 ARG A 118 10.396 -8.233 -6.404 1.00 0.47 H new ATOM 0 HB3 ARG A 118 11.697 -9.406 -6.352 1.00 0.47 H new ATOM 0 HG2 ARG A 118 11.925 -6.437 -6.948 1.00 0.46 H new ATOM 0 HG3 ARG A 118 12.536 -7.290 -5.544 1.00 0.46 H new ATOM 0 HD2 ARG A 118 13.465 -7.782 -8.403 1.00 0.53 H new ATOM 0 HD3 ARG A 118 14.300 -6.758 -7.252 1.00 0.53 H new ATOM 0 HE ARG A 118 14.351 -8.971 -5.812 1.00 1.33 H new ATOM 0 HH11 ARG A 118 14.567 -8.749 -9.330 1.00 1.63 H new ATOM 0 HH12 ARG A 118 15.589 -10.182 -9.475 1.00 1.63 H new ATOM 0 HH21 ARG A 118 15.675 -10.803 -6.002 1.00 2.63 H new ATOM 0 HH22 ARG A 118 16.215 -11.343 -7.596 1.00 2.63 H new ATOM 697 N ILE A 119 8.851 -9.716 -8.472 1.00 0.53 N ATOM 698 CA ILE A 119 7.856 -10.765 -8.642 1.00 0.68 C ATOM 699 C ILE A 119 7.387 -10.838 -10.094 1.00 0.67 C ATOM 700 O ILE A 119 7.055 -11.913 -10.591 1.00 0.91 O ATOM 701 CB ILE A 119 6.635 -10.587 -7.711 1.00 0.80 C ATOM 702 CG1 ILE A 119 5.822 -9.351 -8.094 1.00 0.80 C ATOM 703 CG2 ILE A 119 7.088 -10.491 -6.261 1.00 0.80 C ATOM 704 CD1 ILE A 119 4.480 -9.284 -7.406 1.00 1.05 C ATOM 0 H ILE A 119 8.470 -8.776 -8.367 1.00 0.53 H new ATOM 0 HA ILE A 119 8.346 -11.699 -8.368 1.00 0.68 H new ATOM 0 HB ILE A 119 5.994 -11.461 -7.826 1.00 0.80 H new ATOM 0 HG12 ILE A 119 6.394 -8.457 -7.847 1.00 0.80 H new ATOM 0 HG13 ILE A 119 5.670 -9.344 -9.173 1.00 0.80 H new ATOM 0 HG21 ILE A 119 6.219 -10.366 -5.616 1.00 0.80 H new ATOM 0 HG22 ILE A 119 7.617 -11.403 -5.984 1.00 0.80 H new ATOM 0 HG23 ILE A 119 7.753 -9.636 -6.144 1.00 0.80 H new ATOM 0 HD11 ILE A 119 3.954 -8.383 -7.722 1.00 1.05 H new ATOM 0 HD12 ILE A 119 3.890 -10.161 -7.673 1.00 1.05 H new ATOM 0 HD13 ILE A 119 4.626 -9.260 -6.326 1.00 1.05 H new ATOM 716 N GLY A 120 7.366 -9.694 -10.771 1.00 0.54 N ATOM 717 CA GLY A 120 6.986 -9.670 -12.168 1.00 0.58 C ATOM 718 C GLY A 120 5.676 -8.944 -12.412 1.00 0.67 C ATOM 719 O GLY A 120 4.686 -9.557 -12.817 1.00 1.03 O ATOM 0 H GLY A 120 7.606 -8.785 -10.376 1.00 0.54 H new ATOM 0 HA2 GLY A 120 7.775 -9.189 -12.746 1.00 0.58 H new ATOM 0 HA3 GLY A 120 6.902 -10.693 -12.534 1.00 0.58 H new ATOM 723 N ILE A 121 5.664 -7.646 -12.155 1.00 0.55 N ATOM 724 CA ILE A 121 4.494 -6.817 -12.428 1.00 0.63 C ATOM 725 C ILE A 121 4.598 -6.212 -13.827 1.00 0.83 C ATOM 726 O ILE A 121 5.650 -5.697 -14.212 1.00 1.29 O ATOM 727 CB ILE A 121 4.355 -5.677 -11.390 1.00 0.53 C ATOM 728 CG1 ILE A 121 4.168 -6.242 -9.975 1.00 0.73 C ATOM 729 CG2 ILE A 121 3.201 -4.745 -11.746 1.00 0.64 C ATOM 730 CD1 ILE A 121 2.864 -6.984 -9.772 1.00 0.60 C ATOM 0 H ILE A 121 6.454 -7.139 -11.756 1.00 0.55 H new ATOM 0 HA ILE A 121 3.613 -7.455 -12.362 1.00 0.63 H new ATOM 0 HB ILE A 121 5.279 -5.099 -11.411 1.00 0.53 H new ATOM 0 HG12 ILE A 121 4.995 -6.916 -9.752 1.00 0.73 H new ATOM 0 HG13 ILE A 121 4.223 -5.423 -9.258 1.00 0.73 H new ATOM 0 HG21 ILE A 121 3.128 -3.955 -10.999 1.00 0.64 H new ATOM 0 HG22 ILE A 121 3.380 -4.303 -12.726 1.00 0.64 H new ATOM 0 HG23 ILE A 121 2.270 -5.311 -11.768 1.00 0.64 H new ATOM 0 HD11 ILE A 121 2.810 -7.351 -8.747 1.00 0.60 H new ATOM 0 HD12 ILE A 121 2.029 -6.310 -9.960 1.00 0.60 H new ATOM 0 HD13 ILE A 121 2.813 -7.826 -10.462 1.00 0.60 H new ATOM 742 N THR A 122 3.514 -6.276 -14.586 1.00 1.51 N ATOM 743 CA THR A 122 3.499 -5.724 -15.933 1.00 1.86 C ATOM 744 C THR A 122 3.495 -4.199 -15.877 1.00 1.60 C ATOM 745 O THR A 122 4.277 -3.544 -16.567 1.00 1.93 O ATOM 746 CB THR A 122 2.281 -6.236 -16.719 1.00 2.48 C ATOM 747 OG1 THR A 122 2.261 -7.669 -16.669 1.00 2.82 O ATOM 748 CG2 THR A 122 2.328 -5.774 -18.168 1.00 2.94 C ATOM 0 H THR A 122 2.635 -6.703 -14.293 1.00 1.51 H new ATOM 0 HA THR A 122 4.400 -6.054 -16.451 1.00 1.86 H new ATOM 0 HB THR A 122 1.377 -5.831 -16.265 1.00 2.48 H new ATOM 0 HG1 THR A 122 1.486 -8.003 -17.167 1.00 2.82 H new ATOM 0 HG21 THR A 122 1.454 -6.151 -18.699 1.00 2.94 H new ATOM 0 HG22 THR A 122 2.331 -4.685 -18.203 1.00 2.94 H new ATOM 0 HG23 THR A 122 3.233 -6.155 -18.642 1.00 2.94 H new ATOM 756 N ASN A 123 2.610 -3.655 -15.044 1.00 1.70 N ATOM 757 CA ASN A 123 2.577 -2.224 -14.734 1.00 1.62 C ATOM 758 C ASN A 123 2.103 -1.391 -15.922 1.00 1.70 C ATOM 759 O ASN A 123 2.851 -1.127 -16.862 1.00 2.45 O ATOM 760 CB ASN A 123 3.950 -1.740 -14.257 1.00 2.23 C ATOM 761 CG ASN A 123 3.885 -0.374 -13.603 1.00 2.56 C ATOM 762 OD1 ASN A 123 3.976 0.655 -14.269 1.00 3.04 O ATOM 763 ND2 ASN A 123 3.733 -0.353 -12.287 1.00 2.99 N ATOM 0 H ASN A 123 1.892 -4.195 -14.562 1.00 1.70 H new ATOM 0 HA ASN A 123 1.855 -2.087 -13.929 1.00 1.62 H new ATOM 0 HB2 ASN A 123 4.360 -2.460 -13.549 1.00 2.23 H new ATOM 0 HB3 ASN A 123 4.634 -1.702 -15.105 1.00 2.23 H new ATOM 0 HD21 ASN A 123 3.688 0.538 -11.793 1.00 2.99 H new ATOM 0 HD22 ASN A 123 3.661 -1.228 -11.768 1.00 2.99 H new ATOM 770 N HIS A 124 0.849 -0.964 -15.853 1.00 1.79 N ATOM 771 CA HIS A 124 0.261 -0.098 -16.872 1.00 2.42 C ATOM 772 C HIS A 124 0.544 1.368 -16.526 1.00 1.95 C ATOM 773 O HIS A 124 -0.136 2.269 -17.005 1.00 2.58 O ATOM 774 CB HIS A 124 -1.252 -0.364 -16.950 1.00 3.50 C ATOM 775 CG HIS A 124 -1.954 0.294 -18.105 1.00 4.50 C ATOM 776 ND1 HIS A 124 -1.736 -0.056 -19.418 1.00 5.27 N ATOM 777 CD2 HIS A 124 -2.883 1.282 -18.132 1.00 5.23 C ATOM 778 CE1 HIS A 124 -2.500 0.681 -20.202 1.00 6.25 C ATOM 779 NE2 HIS A 124 -3.204 1.501 -19.448 1.00 6.24 N ATOM 0 H HIS A 124 0.212 -1.205 -15.094 1.00 1.79 H new ATOM 0 HA HIS A 124 0.703 -0.311 -17.845 1.00 2.42 H new ATOM 0 HB2 HIS A 124 -1.414 -1.440 -17.011 1.00 3.50 H new ATOM 0 HB3 HIS A 124 -1.714 -0.025 -16.023 1.00 3.50 H new ATOM 0 HD2 HIS A 124 -3.293 1.800 -17.277 1.00 5.23 H new ATOM 0 HE1 HIS A 124 -2.541 0.622 -21.280 1.00 6.25 H new ATOM 0 HE2 HIS A 124 -3.878 2.187 -19.788 1.00 6.24 H new ATOM 788 N ASP A 125 1.556 1.567 -15.669 1.00 1.36 N ATOM 789 CA ASP A 125 2.006 2.879 -15.152 1.00 1.73 C ATOM 790 C ASP A 125 0.907 3.668 -14.423 1.00 1.67 C ATOM 791 O ASP A 125 1.209 4.592 -13.669 1.00 1.95 O ATOM 792 CB ASP A 125 2.706 3.729 -16.227 1.00 2.22 C ATOM 793 CG ASP A 125 1.781 4.406 -17.222 1.00 3.00 C ATOM 794 OD1 ASP A 125 1.102 5.380 -16.833 1.00 3.47 O ATOM 795 OD2 ASP A 125 1.708 3.955 -18.380 1.00 3.57 O ATOM 0 H ASP A 125 2.108 0.793 -15.300 1.00 1.36 H new ATOM 0 HA ASP A 125 2.752 2.642 -14.394 1.00 1.73 H new ATOM 0 HB2 ASP A 125 3.302 4.495 -15.730 1.00 2.22 H new ATOM 0 HB3 ASP A 125 3.400 3.092 -16.776 1.00 2.22 H new ATOM 800 N GLU A 126 -0.350 3.288 -14.619 1.00 1.58 N ATOM 801 CA GLU A 126 -1.458 3.801 -13.817 1.00 1.86 C ATOM 802 C GLU A 126 -1.519 3.068 -12.483 1.00 1.36 C ATOM 803 O GLU A 126 -2.493 3.173 -11.735 1.00 1.70 O ATOM 804 CB GLU A 126 -2.782 3.630 -14.564 1.00 2.55 C ATOM 805 CG GLU A 126 -2.987 4.638 -15.680 1.00 3.40 C ATOM 806 CD GLU A 126 -3.130 6.054 -15.158 1.00 4.27 C ATOM 807 OE1 GLU A 126 -4.266 6.460 -14.840 1.00 4.78 O ATOM 808 OE2 GLU A 126 -2.108 6.765 -15.063 1.00 4.72 O ATOM 0 H GLU A 126 -0.631 2.618 -15.335 1.00 1.58 H new ATOM 0 HA GLU A 126 -1.293 4.863 -13.635 1.00 1.86 H new ATOM 0 HB2 GLU A 126 -2.826 2.624 -14.982 1.00 2.55 H new ATOM 0 HB3 GLU A 126 -3.604 3.716 -13.853 1.00 2.55 H new ATOM 0 HG2 GLU A 126 -2.143 4.591 -16.369 1.00 3.40 H new ATOM 0 HG3 GLU A 126 -3.878 4.371 -16.248 1.00 3.40 H new ATOM 815 N TYR A 127 -0.473 2.311 -12.195 1.00 0.80 N ATOM 816 CA TYR A 127 -0.377 1.601 -10.939 1.00 0.65 C ATOM 817 C TYR A 127 0.064 2.545 -9.842 1.00 0.67 C ATOM 818 O TYR A 127 1.207 2.999 -9.816 1.00 1.03 O ATOM 819 CB TYR A 127 0.590 0.426 -11.039 1.00 0.93 C ATOM 820 CG TYR A 127 -0.009 -0.803 -11.683 1.00 0.80 C ATOM 821 CD1 TYR A 127 -0.751 -0.715 -12.853 1.00 1.36 C ATOM 822 CD2 TYR A 127 0.164 -2.055 -11.112 1.00 0.69 C ATOM 823 CE1 TYR A 127 -1.304 -1.838 -13.433 1.00 1.33 C ATOM 824 CE2 TYR A 127 -0.382 -3.183 -11.683 1.00 0.71 C ATOM 825 CZ TYR A 127 -1.119 -3.071 -12.845 1.00 0.74 C ATOM 826 OH TYR A 127 -1.672 -4.188 -13.423 1.00 0.83 O ATOM 0 H TYR A 127 0.322 2.175 -12.819 1.00 0.80 H new ATOM 0 HA TYR A 127 -1.364 1.205 -10.699 1.00 0.65 H new ATOM 0 HB2 TYR A 127 1.465 0.735 -11.611 1.00 0.93 H new ATOM 0 HB3 TYR A 127 0.938 0.168 -10.039 1.00 0.93 H new ATOM 0 HD1 TYR A 127 -0.898 0.249 -13.317 1.00 1.36 H new ATOM 0 HD2 TYR A 127 0.738 -2.147 -10.202 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -1.879 -1.752 -14.343 1.00 1.33 H new ATOM 0 HE2 TYR A 127 -0.234 -4.150 -11.224 1.00 0.71 H new ATOM 0 HH TYR A 127 -1.449 -4.978 -12.887 1.00 0.83 H new ATOM 836 N SER A 128 -0.850 2.834 -8.946 1.00 0.56 N ATOM 837 CA SER A 128 -0.584 3.747 -7.861 1.00 0.59 C ATOM 838 C SER A 128 -0.200 2.941 -6.632 1.00 0.48 C ATOM 839 O SER A 128 -0.408 1.725 -6.584 1.00 0.49 O ATOM 840 CB SER A 128 -1.820 4.609 -7.589 1.00 0.77 C ATOM 841 OG SER A 128 -1.496 5.775 -6.848 1.00 1.44 O ATOM 0 H SER A 128 -1.793 2.445 -8.948 1.00 0.56 H new ATOM 0 HA SER A 128 0.237 4.415 -8.122 1.00 0.59 H new ATOM 0 HB2 SER A 128 -2.279 4.895 -8.535 1.00 0.77 H new ATOM 0 HB3 SER A 128 -2.558 4.023 -7.041 1.00 0.77 H new ATOM 0 HG SER A 128 -1.132 6.456 -7.452 1.00 1.44 H new ATOM 847 N LEU A 129 0.370 3.604 -5.650 1.00 0.45 N ATOM 848 CA LEU A 129 0.814 2.926 -4.454 1.00 0.40 C ATOM 849 C LEU A 129 0.120 3.510 -3.244 1.00 0.34 C ATOM 850 O LEU A 129 -0.341 4.649 -3.272 1.00 0.37 O ATOM 851 CB LEU A 129 2.328 3.052 -4.302 1.00 0.46 C ATOM 852 CG LEU A 129 3.145 2.482 -5.463 1.00 0.58 C ATOM 853 CD1 LEU A 129 4.617 2.789 -5.269 1.00 1.02 C ATOM 854 CD2 LEU A 129 2.929 0.981 -5.588 1.00 1.31 C ATOM 0 H LEU A 129 0.536 4.610 -5.657 1.00 0.45 H new ATOM 0 HA LEU A 129 0.560 1.869 -4.535 1.00 0.40 H new ATOM 0 HB2 LEU A 129 2.579 4.106 -4.184 1.00 0.46 H new ATOM 0 HB3 LEU A 129 2.629 2.548 -3.384 1.00 0.46 H new ATOM 0 HG LEU A 129 2.807 2.954 -6.386 1.00 0.58 H new ATOM 0 HD11 LEU A 129 5.187 2.378 -6.102 1.00 1.02 H new ATOM 0 HD12 LEU A 129 4.761 3.869 -5.228 1.00 1.02 H new ATOM 0 HD13 LEU A 129 4.962 2.341 -4.337 1.00 1.02 H new ATOM 0 HD21 LEU A 129 3.519 0.596 -6.420 1.00 1.31 H new ATOM 0 HD22 LEU A 129 3.240 0.491 -4.665 1.00 1.31 H new ATOM 0 HD23 LEU A 129 1.873 0.779 -5.769 1.00 1.31 H new ATOM 866 N VAL A 130 0.013 2.725 -2.197 1.00 0.30 N ATOM 867 CA VAL A 130 -0.543 3.211 -0.956 1.00 0.27 C ATOM 868 C VAL A 130 0.278 2.690 0.212 1.00 0.31 C ATOM 869 O VAL A 130 0.810 1.583 0.174 1.00 0.34 O ATOM 870 CB VAL A 130 -2.043 2.825 -0.774 1.00 0.33 C ATOM 871 CG1 VAL A 130 -2.609 2.162 -2.023 1.00 0.51 C ATOM 872 CG2 VAL A 130 -2.251 1.930 0.442 1.00 0.66 C ATOM 0 H VAL A 130 0.304 1.747 -2.180 1.00 0.30 H new ATOM 0 HA VAL A 130 -0.500 4.300 -0.986 1.00 0.27 H new ATOM 0 HB VAL A 130 -2.587 3.755 -0.607 1.00 0.33 H new ATOM 0 HG11 VAL A 130 -3.656 1.908 -1.857 1.00 0.51 H new ATOM 0 HG12 VAL A 130 -2.531 2.848 -2.866 1.00 0.51 H new ATOM 0 HG13 VAL A 130 -2.045 1.255 -2.241 1.00 0.51 H new ATOM 0 HG21 VAL A 130 -3.308 1.683 0.535 1.00 0.66 H new ATOM 0 HG22 VAL A 130 -1.673 1.014 0.322 1.00 0.66 H new ATOM 0 HG23 VAL A 130 -1.920 2.453 1.339 1.00 0.66 H new ATOM 882 N ARG A 131 0.410 3.509 1.228 1.00 0.37 N ATOM 883 CA ARG A 131 0.995 3.076 2.472 1.00 0.44 C ATOM 884 C ARG A 131 -0.103 2.521 3.362 1.00 0.48 C ATOM 885 O ARG A 131 -0.972 3.266 3.813 1.00 0.58 O ATOM 886 CB ARG A 131 1.692 4.248 3.160 1.00 0.53 C ATOM 887 CG ARG A 131 3.065 4.570 2.604 1.00 1.14 C ATOM 888 CD ARG A 131 3.541 5.936 3.071 1.00 1.21 C ATOM 889 NE ARG A 131 3.625 6.042 4.530 1.00 0.99 N ATOM 890 CZ ARG A 131 3.609 7.203 5.189 1.00 1.15 C ATOM 891 NH1 ARG A 131 3.432 8.342 4.527 1.00 1.84 N ATOM 892 NH2 ARG A 131 3.752 7.221 6.508 1.00 1.52 N ATOM 0 H ARG A 131 0.117 4.486 1.216 1.00 0.37 H new ATOM 0 HA ARG A 131 1.737 2.301 2.281 1.00 0.44 H new ATOM 0 HB2 ARG A 131 1.061 5.133 3.073 1.00 0.53 H new ATOM 0 HB3 ARG A 131 1.786 4.026 4.223 1.00 0.53 H new ATOM 0 HG2 ARG A 131 3.776 3.807 2.920 1.00 1.14 H new ATOM 0 HG3 ARG A 131 3.034 4.546 1.515 1.00 1.14 H new ATOM 0 HD2 ARG A 131 4.521 6.141 2.640 1.00 1.21 H new ATOM 0 HD3 ARG A 131 2.861 6.700 2.695 1.00 1.21 H new ATOM 0 HE ARG A 131 3.700 5.181 5.072 1.00 0.99 H new ATOM 0 HH11 ARG A 131 3.308 8.330 3.515 1.00 1.84 H new ATOM 0 HH12 ARG A 131 3.420 9.228 5.031 1.00 1.84 H new ATOM 0 HH21 ARG A 131 3.874 6.347 7.020 1.00 1.52 H new ATOM 0 HH22 ARG A 131 3.740 8.109 7.010 1.00 1.52 H new ATOM 906 N GLU A 132 -0.086 1.217 3.584 1.00 0.47 N ATOM 907 CA GLU A 132 -1.056 0.595 4.464 1.00 0.57 C ATOM 908 C GLU A 132 -0.552 0.721 5.890 1.00 0.66 C ATOM 909 O GLU A 132 0.340 -0.020 6.324 1.00 0.75 O ATOM 910 CB GLU A 132 -1.288 -0.868 4.075 1.00 0.62 C ATOM 911 CG GLU A 132 -2.476 -1.506 4.776 1.00 1.02 C ATOM 912 CD GLU A 132 -2.798 -2.885 4.239 1.00 1.27 C ATOM 913 OE1 GLU A 132 -3.537 -2.983 3.236 1.00 1.26 O ATOM 914 OE2 GLU A 132 -2.309 -3.879 4.810 1.00 2.12 O ATOM 0 H GLU A 132 0.587 0.573 3.168 1.00 0.47 H new ATOM 0 HA GLU A 132 -2.019 1.097 4.375 1.00 0.57 H new ATOM 0 HB2 GLU A 132 -1.438 -0.929 2.997 1.00 0.62 H new ATOM 0 HB3 GLU A 132 -0.391 -1.442 4.305 1.00 0.62 H new ATOM 0 HG2 GLU A 132 -2.269 -1.575 5.844 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -3.349 -0.863 4.662 1.00 1.02 H new ATOM 921 N LEU A 133 -1.103 1.695 6.597 1.00 0.77 N ATOM 922 CA LEU A 133 -0.561 2.113 7.877 1.00 0.97 C ATOM 923 C LEU A 133 -1.479 1.741 9.027 1.00 1.32 C ATOM 924 O LEU A 133 -2.638 1.377 8.831 1.00 1.55 O ATOM 925 CB LEU A 133 -0.368 3.634 7.887 1.00 1.18 C ATOM 926 CG LEU A 133 0.310 4.222 6.651 1.00 1.21 C ATOM 927 CD1 LEU A 133 0.388 5.737 6.757 1.00 1.25 C ATOM 928 CD2 LEU A 133 1.695 3.630 6.467 1.00 2.00 C ATOM 0 H LEU A 133 -1.931 2.213 6.302 1.00 0.77 H new ATOM 0 HA LEU A 133 0.392 1.600 8.008 1.00 0.97 H new ATOM 0 HB2 LEU A 133 -1.344 4.105 8.003 1.00 1.18 H new ATOM 0 HB3 LEU A 133 0.221 3.902 8.764 1.00 1.18 H new ATOM 0 HG LEU A 133 -0.290 3.967 5.777 1.00 1.21 H new ATOM 0 HD11 LEU A 133 0.874 6.139 5.868 1.00 1.25 H new ATOM 0 HD12 LEU A 133 -0.618 6.148 6.838 1.00 1.25 H new ATOM 0 HD13 LEU A 133 0.964 6.011 7.641 1.00 1.25 H new ATOM 0 HD21 LEU A 133 2.161 4.062 5.581 1.00 2.00 H new ATOM 0 HD22 LEU A 133 2.305 3.852 7.343 1.00 2.00 H new ATOM 0 HD23 LEU A 133 1.616 2.550 6.345 1.00 2.00 H new ATOM 1531 N ASP A 168 -9.742 3.342 2.351 1.00 1.54 N ATOM 1532 CA ASP A 168 -9.854 4.800 2.176 1.00 1.34 C ATOM 1533 C ASP A 168 -9.621 5.545 3.496 1.00 1.35 C ATOM 1534 O ASP A 168 -10.226 6.579 3.769 1.00 1.56 O ATOM 1535 CB ASP A 168 -11.224 5.154 1.583 1.00 1.54 C ATOM 1536 CG ASP A 168 -11.332 6.607 1.155 1.00 1.75 C ATOM 1537 OD1 ASP A 168 -10.689 6.988 0.155 1.00 2.42 O ATOM 1538 OD2 ASP A 168 -12.037 7.381 1.836 1.00 2.11 O ATOM 0 HA ASP A 168 -9.076 5.120 1.482 1.00 1.34 H new ATOM 0 HB2 ASP A 168 -11.417 4.513 0.723 1.00 1.54 H new ATOM 0 HB3 ASP A 168 -11.998 4.940 2.320 1.00 1.54 H new ATOM 1543 N ASP A 169 -8.724 5.011 4.306 1.00 1.37 N ATOM 1544 CA ASP A 169 -8.373 5.631 5.577 1.00 1.46 C ATOM 1545 C ASP A 169 -6.947 5.245 5.950 1.00 1.24 C ATOM 1546 O ASP A 169 -6.031 6.062 5.879 1.00 1.29 O ATOM 1547 CB ASP A 169 -9.352 5.199 6.673 1.00 1.79 C ATOM 1548 CG ASP A 169 -9.200 5.999 7.953 1.00 2.09 C ATOM 1549 OD1 ASP A 169 -8.151 6.646 8.147 1.00 2.57 O ATOM 1550 OD2 ASP A 169 -10.130 5.974 8.784 1.00 2.35 O ATOM 0 H ASP A 169 -8.222 4.146 4.107 1.00 1.37 H new ATOM 0 HA ASP A 169 -8.436 6.715 5.478 1.00 1.46 H new ATOM 0 HB2 ASP A 169 -10.372 5.305 6.304 1.00 1.79 H new ATOM 0 HB3 ASP A 169 -9.201 4.142 6.892 1.00 1.79 H new ATOM 1555 N GLU A 170 -6.761 3.979 6.313 1.00 1.13 N ATOM 1556 CA GLU A 170 -5.429 3.428 6.551 1.00 1.05 C ATOM 1557 C GLU A 170 -4.696 3.276 5.220 1.00 0.82 C ATOM 1558 O GLU A 170 -3.525 2.905 5.172 1.00 0.83 O ATOM 1559 CB GLU A 170 -5.514 2.062 7.250 1.00 1.23 C ATOM 1560 CG GLU A 170 -6.132 2.094 8.646 1.00 1.87 C ATOM 1561 CD GLU A 170 -7.610 2.439 8.643 1.00 2.33 C ATOM 1562 OE1 GLU A 170 -8.295 2.146 7.640 1.00 2.93 O ATOM 1563 OE2 GLU A 170 -8.087 3.025 9.635 1.00 2.60 O ATOM 0 H GLU A 170 -7.520 3.312 6.450 1.00 1.13 H new ATOM 0 HA GLU A 170 -4.883 4.113 7.200 1.00 1.05 H new ATOM 0 HB2 GLU A 170 -6.097 1.386 6.625 1.00 1.23 H new ATOM 0 HB3 GLU A 170 -4.510 1.643 7.322 1.00 1.23 H new ATOM 0 HG2 GLU A 170 -5.994 1.121 9.119 1.00 1.87 H new ATOM 0 HG3 GLU A 170 -5.598 2.823 9.255 1.00 1.87 H new ATOM 1570 N LEU A 171 -5.418 3.573 4.150 1.00 0.73 N ATOM 1571 CA LEU A 171 -4.905 3.485 2.798 1.00 0.62 C ATOM 1572 C LEU A 171 -4.303 4.829 2.393 1.00 0.57 C ATOM 1573 O LEU A 171 -4.989 5.674 1.818 1.00 0.73 O ATOM 1574 CB LEU A 171 -6.056 3.116 1.849 1.00 0.67 C ATOM 1575 CG LEU A 171 -5.713 2.157 0.711 1.00 0.87 C ATOM 1576 CD1 LEU A 171 -5.335 0.791 1.262 1.00 1.34 C ATOM 1577 CD2 LEU A 171 -6.886 2.032 -0.249 1.00 1.16 C ATOM 0 H LEU A 171 -6.388 3.885 4.201 1.00 0.73 H new ATOM 0 HA LEU A 171 -4.131 2.720 2.743 1.00 0.62 H new ATOM 0 HB2 LEU A 171 -6.858 2.673 2.440 1.00 0.67 H new ATOM 0 HB3 LEU A 171 -6.450 4.035 1.415 1.00 0.67 H new ATOM 0 HG LEU A 171 -4.859 2.560 0.167 1.00 0.87 H new ATOM 0 HD11 LEU A 171 -5.094 0.120 0.437 1.00 1.34 H new ATOM 0 HD12 LEU A 171 -4.468 0.889 1.915 1.00 1.34 H new ATOM 0 HD13 LEU A 171 -6.172 0.383 1.829 1.00 1.34 H new ATOM 0 HD21 LEU A 171 -6.626 1.345 -1.054 1.00 1.16 H new ATOM 0 HD22 LEU A 171 -7.755 1.650 0.286 1.00 1.16 H new ATOM 0 HD23 LEU A 171 -7.119 3.011 -0.668 1.00 1.16 H new ATOM 1589 N ASN A 172 -3.039 5.050 2.733 1.00 0.49 N ATOM 1590 CA ASN A 172 -2.392 6.324 2.438 1.00 0.51 C ATOM 1591 C ASN A 172 -1.815 6.316 1.026 1.00 0.45 C ATOM 1592 O ASN A 172 -0.672 5.905 0.817 1.00 0.48 O ATOM 1593 CB ASN A 172 -1.294 6.623 3.464 1.00 0.66 C ATOM 1594 CG ASN A 172 -0.715 8.023 3.324 1.00 1.58 C ATOM 1595 OD1 ASN A 172 -1.193 8.966 3.953 1.00 1.82 O ATOM 1596 ND2 ASN A 172 0.313 8.170 2.500 1.00 2.56 N ATOM 0 H ASN A 172 -2.445 4.371 3.209 1.00 0.49 H new ATOM 0 HA ASN A 172 -3.143 7.112 2.500 1.00 0.51 H new ATOM 0 HB2 ASN A 172 -1.700 6.503 4.468 1.00 0.66 H new ATOM 0 HB3 ASN A 172 -0.493 5.892 3.354 1.00 0.66 H new ATOM 0 HD21 ASN A 172 0.735 9.089 2.370 1.00 2.56 H new ATOM 0 HD22 ASN A 172 0.682 7.364 1.996 1.00 2.56 H new ATOM 1603 N TRP A 173 -2.620 6.746 0.061 1.00 0.45 N ATOM 1604 CA TRP A 173 -2.222 6.743 -1.345 1.00 0.46 C ATOM 1605 C TRP A 173 -1.035 7.665 -1.599 1.00 0.56 C ATOM 1606 O TRP A 173 -0.948 8.752 -1.025 1.00 0.69 O ATOM 1607 CB TRP A 173 -3.384 7.184 -2.240 1.00 0.48 C ATOM 1608 CG TRP A 173 -4.519 6.209 -2.314 1.00 0.46 C ATOM 1609 CD1 TRP A 173 -5.615 6.157 -1.502 1.00 0.54 C ATOM 1610 CD2 TRP A 173 -4.675 5.151 -3.267 1.00 0.48 C ATOM 1611 NE1 TRP A 173 -6.442 5.132 -1.893 1.00 0.60 N ATOM 1612 CE2 TRP A 173 -5.886 4.500 -2.973 1.00 0.55 C ATOM 1613 CE3 TRP A 173 -3.907 4.693 -4.343 1.00 0.54 C ATOM 1614 CZ2 TRP A 173 -6.347 3.413 -3.715 1.00 0.63 C ATOM 1615 CZ3 TRP A 173 -4.366 3.616 -5.076 1.00 0.62 C ATOM 1616 CH2 TRP A 173 -5.576 2.987 -4.760 1.00 0.64 C ATOM 0 H TRP A 173 -3.560 7.104 0.227 1.00 0.45 H new ATOM 0 HA TRP A 173 -1.933 5.720 -1.586 1.00 0.46 H new ATOM 0 HB2 TRP A 173 -3.765 8.138 -1.875 1.00 0.48 H new ATOM 0 HB3 TRP A 173 -3.004 7.357 -3.247 1.00 0.48 H new ATOM 0 HD1 TRP A 173 -5.804 6.824 -0.674 1.00 0.54 H new ATOM 0 HE1 TRP A 173 -7.327 4.882 -1.451 1.00 0.60 H new ATOM 0 HE3 TRP A 173 -2.973 5.173 -4.596 1.00 0.54 H new ATOM 0 HZ2 TRP A 173 -7.280 2.925 -3.473 1.00 0.63 H new ATOM 0 HZ3 TRP A 173 -3.781 3.253 -5.908 1.00 0.62 H new ATOM 0 HH2 TRP A 173 -5.907 2.148 -5.354 1.00 0.64 H new ATOM 1627 N LEU A 174 -0.133 7.219 -2.461 1.00 0.53 N ATOM 1628 CA LEU A 174 0.965 8.048 -2.927 1.00 0.65 C ATOM 1629 C LEU A 174 1.495 7.512 -4.255 1.00 0.61 C ATOM 1630 O LEU A 174 1.638 6.303 -4.444 1.00 0.62 O ATOM 1631 CB LEU A 174 2.089 8.192 -1.860 1.00 0.72 C ATOM 1632 CG LEU A 174 2.994 6.974 -1.535 1.00 0.64 C ATOM 1633 CD1 LEU A 174 2.199 5.701 -1.299 1.00 0.53 C ATOM 1634 CD2 LEU A 174 4.060 6.763 -2.605 1.00 0.67 C ATOM 0 H LEU A 174 -0.142 6.278 -2.854 1.00 0.53 H new ATOM 0 HA LEU A 174 0.584 9.056 -3.093 1.00 0.65 H new ATOM 0 HB2 LEU A 174 2.739 9.007 -2.179 1.00 0.72 H new ATOM 0 HB3 LEU A 174 1.617 8.506 -0.929 1.00 0.72 H new ATOM 0 HG LEU A 174 3.499 7.211 -0.599 1.00 0.64 H new ATOM 0 HD11 LEU A 174 2.882 4.881 -1.076 1.00 0.53 H new ATOM 0 HD12 LEU A 174 1.520 5.846 -0.459 1.00 0.53 H new ATOM 0 HD13 LEU A 174 1.623 5.460 -2.193 1.00 0.53 H new ATOM 0 HD21 LEU A 174 4.674 5.901 -2.342 1.00 0.67 H new ATOM 0 HD22 LEU A 174 3.580 6.586 -3.567 1.00 0.67 H new ATOM 0 HD23 LEU A 174 4.690 7.650 -2.671 1.00 0.67 H new ATOM 1646 N ASP A 175 1.739 8.412 -5.187 1.00 0.76 N ATOM 1647 CA ASP A 175 2.305 8.042 -6.474 1.00 0.80 C ATOM 1648 C ASP A 175 3.798 8.327 -6.452 1.00 0.77 C ATOM 1649 O ASP A 175 4.326 8.775 -5.432 1.00 0.98 O ATOM 1650 CB ASP A 175 1.624 8.811 -7.615 1.00 1.07 C ATOM 1651 CG ASP A 175 0.142 8.491 -7.737 1.00 1.93 C ATOM 1652 OD1 ASP A 175 -0.212 7.535 -8.461 1.00 2.79 O ATOM 1653 OD2 ASP A 175 -0.678 9.198 -7.112 1.00 2.39 O ATOM 0 H ASP A 175 1.554 9.409 -5.079 1.00 0.76 H new ATOM 0 HA ASP A 175 2.137 6.980 -6.650 1.00 0.80 H new ATOM 0 HB2 ASP A 175 1.748 9.881 -7.451 1.00 1.07 H new ATOM 0 HB3 ASP A 175 2.121 8.573 -8.555 1.00 1.07 H new ATOM 1658 N HIS A 176 4.490 8.073 -7.554 1.00 0.76 N ATOM 1659 CA HIS A 176 5.924 8.326 -7.595 1.00 0.85 C ATOM 1660 C HIS A 176 6.196 9.818 -7.714 1.00 1.05 C ATOM 1661 O HIS A 176 6.362 10.353 -8.812 1.00 1.99 O ATOM 1662 CB HIS A 176 6.626 7.595 -8.738 1.00 0.87 C ATOM 1663 CG HIS A 176 6.370 6.118 -8.806 1.00 0.84 C ATOM 1664 ND1 HIS A 176 6.287 5.430 -9.998 1.00 1.07 N ATOM 1665 CD2 HIS A 176 6.203 5.190 -7.833 1.00 0.81 C ATOM 1666 CE1 HIS A 176 6.081 4.152 -9.756 1.00 1.03 C ATOM 1667 NE2 HIS A 176 6.027 3.976 -8.452 1.00 0.82 N ATOM 0 H HIS A 176 4.092 7.699 -8.416 1.00 0.76 H new ATOM 0 HA HIS A 176 6.330 7.941 -6.659 1.00 0.85 H new ATOM 0 HB2 HIS A 176 6.315 8.045 -9.681 1.00 0.87 H new ATOM 0 HB3 HIS A 176 7.700 7.757 -8.646 1.00 0.87 H new ATOM 0 HD1 HIS A 176 6.372 5.847 -10.925 1.00 1.07 H new ATOM 0 HD2 HIS A 176 6.207 5.371 -6.768 1.00 0.81 H new ATOM 0 HE1 HIS A 176 5.974 3.378 -10.502 1.00 1.03 H new ATOM 1676 N GLY A 177 6.186 10.477 -6.576 1.00 0.93 N ATOM 1677 CA GLY A 177 6.521 11.880 -6.496 1.00 0.94 C ATOM 1678 C GLY A 177 6.844 12.241 -5.070 1.00 0.95 C ATOM 1679 O GLY A 177 6.525 13.332 -4.594 1.00 1.16 O ATOM 0 H GLY A 177 5.945 10.054 -5.680 1.00 0.93 H new ATOM 0 HA2 GLY A 177 7.374 12.098 -7.139 1.00 0.94 H new ATOM 0 HA3 GLY A 177 5.688 12.484 -6.855 1.00 0.94 H new ATOM 1683 N ARG A 178 7.470 11.296 -4.386 1.00 0.81 N ATOM 1684 CA ARG A 178 7.730 11.415 -2.964 1.00 0.89 C ATOM 1685 C ARG A 178 8.806 10.412 -2.571 1.00 0.62 C ATOM 1686 O ARG A 178 8.960 9.388 -3.230 1.00 0.64 O ATOM 1687 CB ARG A 178 6.436 11.138 -2.190 1.00 1.22 C ATOM 1688 CG ARG A 178 6.390 11.726 -0.790 1.00 1.50 C ATOM 1689 CD ARG A 178 6.334 13.246 -0.822 1.00 1.27 C ATOM 1690 NE ARG A 178 5.510 13.778 0.264 1.00 1.32 N ATOM 1691 CZ ARG A 178 5.775 14.898 0.931 1.00 1.66 C ATOM 1692 NH1 ARG A 178 6.866 15.605 0.657 1.00 2.09 N ATOM 1693 NH2 ARG A 178 4.943 15.313 1.880 1.00 2.11 N ATOM 0 H ARG A 178 7.810 10.429 -4.801 1.00 0.81 H new ATOM 0 HA ARG A 178 8.076 12.421 -2.727 1.00 0.89 H new ATOM 0 HB2 ARG A 178 5.596 11.533 -2.762 1.00 1.22 H new ATOM 0 HB3 ARG A 178 6.295 10.059 -2.120 1.00 1.22 H new ATOM 0 HG2 ARG A 178 5.518 11.340 -0.261 1.00 1.50 H new ATOM 0 HG3 ARG A 178 7.269 11.405 -0.231 1.00 1.50 H new ATOM 0 HD2 ARG A 178 7.344 13.649 -0.745 1.00 1.27 H new ATOM 0 HD3 ARG A 178 5.932 13.576 -1.780 1.00 1.27 H new ATOM 0 HE ARG A 178 4.675 13.254 0.528 1.00 1.32 H new ATOM 0 HH11 ARG A 178 7.508 15.290 -0.070 1.00 2.09 H new ATOM 0 HH12 ARG A 178 7.061 16.463 1.174 1.00 2.09 H new ATOM 0 HH21 ARG A 178 4.105 14.773 2.095 1.00 2.11 H new ATOM 0 HH22 ARG A 178 5.143 16.171 2.394 1.00 2.11 H new ATOM 1707 N THR A 179 9.564 10.710 -1.530 1.00 0.57 N ATOM 1708 CA THR A 179 10.551 9.768 -1.028 1.00 0.61 C ATOM 1709 C THR A 179 10.085 9.159 0.292 1.00 0.61 C ATOM 1710 O THR A 179 9.027 9.524 0.812 1.00 0.56 O ATOM 1711 CB THR A 179 11.927 10.438 -0.843 1.00 0.83 C ATOM 1712 OG1 THR A 179 11.801 11.597 -0.011 1.00 0.90 O ATOM 1713 CG2 THR A 179 12.521 10.833 -2.187 1.00 0.91 C ATOM 0 H THR A 179 9.516 11.591 -1.018 1.00 0.57 H new ATOM 0 HA THR A 179 10.657 8.976 -1.769 1.00 0.61 H new ATOM 0 HB THR A 179 12.594 9.721 -0.365 1.00 0.83 H new ATOM 0 HG1 THR A 179 11.542 12.367 -0.559 1.00 0.90 H new ATOM 0 HG21 THR A 179 13.492 11.304 -2.032 1.00 0.91 H new ATOM 0 HG22 THR A 179 12.644 9.944 -2.806 1.00 0.91 H new ATOM 0 HG23 THR A 179 11.854 11.534 -2.688 1.00 0.91 H new ATOM 1721 N LEU A 180 10.869 8.236 0.827 1.00 0.80 N ATOM 1722 CA LEU A 180 10.509 7.551 2.061 1.00 0.90 C ATOM 1723 C LEU A 180 10.668 8.483 3.252 1.00 0.91 C ATOM 1724 O LEU A 180 9.806 8.534 4.132 1.00 0.95 O ATOM 1725 CB LEU A 180 11.363 6.289 2.256 1.00 1.22 C ATOM 1726 CG LEU A 180 11.010 5.093 1.358 1.00 1.41 C ATOM 1727 CD1 LEU A 180 9.566 4.668 1.569 1.00 2.05 C ATOM 1728 CD2 LEU A 180 11.259 5.413 -0.109 1.00 2.08 C ATOM 0 H LEU A 180 11.760 7.943 0.426 1.00 0.80 H new ATOM 0 HA LEU A 180 9.464 7.250 1.989 1.00 0.90 H new ATOM 0 HB2 LEU A 180 12.407 6.551 2.085 1.00 1.22 H new ATOM 0 HB3 LEU A 180 11.279 5.974 3.296 1.00 1.22 H new ATOM 0 HG LEU A 180 11.660 4.265 1.639 1.00 1.41 H new ATOM 0 HD11 LEU A 180 9.338 3.820 0.923 1.00 2.05 H new ATOM 0 HD12 LEU A 180 9.420 4.381 2.610 1.00 2.05 H new ATOM 0 HD13 LEU A 180 8.903 5.498 1.325 1.00 2.05 H new ATOM 0 HD21 LEU A 180 11.000 4.548 -0.719 1.00 2.08 H new ATOM 0 HD22 LEU A 180 10.644 6.263 -0.405 1.00 2.08 H new ATOM 0 HD23 LEU A 180 12.311 5.658 -0.255 1.00 2.08 H new ATOM 1740 N ARG A 181 11.757 9.245 3.258 1.00 0.99 N ATOM 1741 CA ARG A 181 12.039 10.173 4.347 1.00 1.14 C ATOM 1742 C ARG A 181 10.996 11.287 4.385 1.00 1.04 C ATOM 1743 O ARG A 181 10.585 11.729 5.458 1.00 1.14 O ATOM 1744 CB ARG A 181 13.445 10.755 4.189 1.00 1.37 C ATOM 1745 CG ARG A 181 13.908 11.583 5.377 1.00 1.60 C ATOM 1746 CD ARG A 181 15.378 11.948 5.247 1.00 2.05 C ATOM 1747 NE ARG A 181 16.229 10.756 5.184 1.00 2.91 N ATOM 1748 CZ ARG A 181 17.279 10.633 4.371 1.00 3.63 C ATOM 1749 NH1 ARG A 181 17.638 11.644 3.592 1.00 3.63 N ATOM 1750 NH2 ARG A 181 17.977 9.502 4.345 1.00 4.63 N ATOM 0 H ARG A 181 12.460 9.238 2.519 1.00 0.99 H new ATOM 0 HA ARG A 181 11.990 9.631 5.291 1.00 1.14 H new ATOM 0 HB2 ARG A 181 14.150 9.938 4.032 1.00 1.37 H new ATOM 0 HB3 ARG A 181 13.472 11.376 3.294 1.00 1.37 H new ATOM 0 HG2 ARG A 181 13.309 12.491 5.447 1.00 1.60 H new ATOM 0 HG3 ARG A 181 13.749 11.024 6.299 1.00 1.60 H new ATOM 0 HD2 ARG A 181 15.526 12.549 4.349 1.00 2.05 H new ATOM 0 HD3 ARG A 181 15.676 12.564 6.095 1.00 2.05 H new ATOM 0 HE ARG A 181 16.005 9.974 5.799 1.00 2.91 H new ATOM 0 HH11 ARG A 181 17.111 12.517 3.614 1.00 3.63 H new ATOM 0 HH12 ARG A 181 18.441 11.549 2.971 1.00 3.63 H new ATOM 0 HH21 ARG A 181 17.710 8.724 4.948 1.00 4.63 H new ATOM 0 HH22 ARG A 181 18.779 9.412 3.722 1.00 4.63 H new ATOM 1764 N GLU A 182 10.551 11.715 3.206 1.00 0.93 N ATOM 1765 CA GLU A 182 9.508 12.732 3.096 1.00 0.98 C ATOM 1766 C GLU A 182 8.221 12.282 3.761 1.00 0.98 C ATOM 1767 O GLU A 182 7.468 13.092 4.298 1.00 1.16 O ATOM 1768 CB GLU A 182 9.219 13.044 1.632 1.00 0.96 C ATOM 1769 CG GLU A 182 10.159 14.059 1.030 1.00 1.17 C ATOM 1770 CD GLU A 182 9.924 14.249 -0.451 1.00 1.52 C ATOM 1771 OE1 GLU A 182 9.081 15.092 -0.815 1.00 1.91 O ATOM 1772 OE2 GLU A 182 10.589 13.572 -1.257 1.00 1.94 O ATOM 0 H GLU A 182 10.898 11.372 2.310 1.00 0.93 H new ATOM 0 HA GLU A 182 9.875 13.625 3.602 1.00 0.98 H new ATOM 0 HB2 GLU A 182 9.277 12.121 1.055 1.00 0.96 H new ATOM 0 HB3 GLU A 182 8.197 13.411 1.543 1.00 0.96 H new ATOM 0 HG2 GLU A 182 10.035 15.014 1.541 1.00 1.17 H new ATOM 0 HG3 GLU A 182 11.188 13.741 1.195 1.00 1.17 H new ATOM 1779 N GLN A 183 7.968 10.989 3.715 1.00 0.90 N ATOM 1780 CA GLN A 183 6.741 10.446 4.257 1.00 1.02 C ATOM 1781 C GLN A 183 6.928 10.021 5.707 1.00 1.23 C ATOM 1782 O GLN A 183 5.961 9.914 6.462 1.00 1.48 O ATOM 1783 CB GLN A 183 6.278 9.262 3.414 1.00 1.06 C ATOM 1784 CG GLN A 183 5.914 9.645 1.991 1.00 1.27 C ATOM 1785 CD GLN A 183 5.569 8.447 1.134 1.00 1.41 C ATOM 1786 OE1 GLN A 183 4.417 8.029 1.073 1.00 2.02 O ATOM 1787 NE2 GLN A 183 6.567 7.894 0.463 1.00 1.34 N ATOM 0 H GLN A 183 8.596 10.296 3.308 1.00 0.90 H new ATOM 0 HA GLN A 183 5.978 11.224 4.228 1.00 1.02 H new ATOM 0 HB2 GLN A 183 7.067 8.511 3.390 1.00 1.06 H new ATOM 0 HB3 GLN A 183 5.413 8.801 3.891 1.00 1.06 H new ATOM 0 HG2 GLN A 183 5.066 10.330 2.009 1.00 1.27 H new ATOM 0 HG3 GLN A 183 6.748 10.182 1.539 1.00 1.27 H new ATOM 0 HE21 GLN A 183 7.509 8.276 0.544 1.00 1.34 H new ATOM 0 HE22 GLN A 183 6.394 7.086 -0.135 1.00 1.34 H new ATOM 1796 N GLY A 184 8.178 9.779 6.085 1.00 1.33 N ATOM 1797 CA GLY A 184 8.481 9.345 7.435 1.00 1.78 C ATOM 1798 C GLY A 184 7.967 7.949 7.711 1.00 1.49 C ATOM 1799 O GLY A 184 7.577 7.635 8.834 1.00 1.85 O ATOM 0 H GLY A 184 8.991 9.876 5.476 1.00 1.33 H new ATOM 0 HA2 GLY A 184 9.559 9.371 7.591 1.00 1.78 H new ATOM 0 HA3 GLY A 184 8.039 10.041 8.147 1.00 1.78 H new ATOM 1803 N VAL A 185 7.963 7.118 6.680 1.00 1.10 N ATOM 1804 CA VAL A 185 7.449 5.760 6.783 1.00 1.23 C ATOM 1805 C VAL A 185 8.593 4.766 6.961 1.00 1.12 C ATOM 1806 O VAL A 185 9.661 4.920 6.363 1.00 1.54 O ATOM 1807 CB VAL A 185 6.615 5.391 5.531 1.00 1.51 C ATOM 1808 CG1 VAL A 185 7.419 5.597 4.257 1.00 1.70 C ATOM 1809 CG2 VAL A 185 6.099 3.961 5.611 1.00 1.63 C ATOM 0 H VAL A 185 8.313 7.363 5.754 1.00 1.10 H new ATOM 0 HA VAL A 185 6.801 5.710 7.658 1.00 1.23 H new ATOM 0 HB VAL A 185 5.754 6.059 5.504 1.00 1.51 H new ATOM 0 HG11 VAL A 185 6.809 5.330 3.394 1.00 1.70 H new ATOM 0 HG12 VAL A 185 7.718 6.642 4.180 1.00 1.70 H new ATOM 0 HG13 VAL A 185 8.308 4.966 4.282 1.00 1.70 H new ATOM 0 HG21 VAL A 185 5.518 3.733 4.717 1.00 1.63 H new ATOM 0 HG22 VAL A 185 6.942 3.273 5.680 1.00 1.63 H new ATOM 0 HG23 VAL A 185 5.467 3.851 6.492 1.00 1.63 H new ATOM 1819 N GLU A 186 8.377 3.761 7.797 1.00 1.26 N ATOM 1820 CA GLU A 186 9.385 2.744 8.037 1.00 1.39 C ATOM 1821 C GLU A 186 9.235 1.565 7.088 1.00 1.49 C ATOM 1822 O GLU A 186 8.172 1.335 6.515 1.00 2.04 O ATOM 1823 CB GLU A 186 9.335 2.253 9.482 1.00 1.52 C ATOM 1824 CG GLU A 186 10.237 3.039 10.410 1.00 1.57 C ATOM 1825 CD GLU A 186 11.681 3.011 9.952 1.00 2.21 C ATOM 1826 OE1 GLU A 186 12.265 1.907 9.881 1.00 2.48 O ATOM 1827 OE2 GLU A 186 12.228 4.082 9.628 1.00 2.87 O ATOM 0 H GLU A 186 7.511 3.630 8.320 1.00 1.26 H new ATOM 0 HA GLU A 186 10.354 3.209 7.853 1.00 1.39 H new ATOM 0 HB2 GLU A 186 8.309 2.315 9.845 1.00 1.52 H new ATOM 0 HB3 GLU A 186 9.621 1.202 9.512 1.00 1.52 H new ATOM 0 HG2 GLU A 186 9.893 4.072 10.462 1.00 1.57 H new ATOM 0 HG3 GLU A 186 10.168 2.629 11.417 1.00 1.57 H new ATOM 1834 N GLU A 187 10.313 0.812 6.960 1.00 1.26 N ATOM 1835 CA GLU A 187 10.374 -0.341 6.070 1.00 1.33 C ATOM 1836 C GLU A 187 9.516 -1.498 6.583 1.00 1.35 C ATOM 1837 O GLU A 187 9.209 -2.427 5.839 1.00 1.49 O ATOM 1838 CB GLU A 187 11.829 -0.780 5.935 1.00 1.44 C ATOM 1839 CG GLU A 187 12.515 -0.963 7.278 1.00 1.45 C ATOM 1840 CD GLU A 187 14.022 -0.975 7.174 1.00 1.45 C ATOM 1841 OE1 GLU A 187 14.612 0.091 6.920 1.00 1.90 O ATOM 1842 OE2 GLU A 187 14.619 -2.064 7.315 1.00 1.53 O ATOM 0 H GLU A 187 11.178 0.982 7.473 1.00 1.26 H new ATOM 0 HA GLU A 187 9.976 -0.053 5.097 1.00 1.33 H new ATOM 0 HB2 GLU A 187 11.871 -1.717 5.380 1.00 1.44 H new ATOM 0 HB3 GLU A 187 12.375 -0.039 5.351 1.00 1.44 H new ATOM 0 HG2 GLU A 187 12.209 -0.160 7.949 1.00 1.45 H new ATOM 0 HG3 GLU A 187 12.180 -1.898 7.727 1.00 1.45 H new ATOM 1849 N HIS A 188 9.128 -1.441 7.854 1.00 1.31 N ATOM 1850 CA HIS A 188 8.317 -2.507 8.434 1.00 1.39 C ATOM 1851 C HIS A 188 6.830 -2.249 8.195 1.00 1.20 C ATOM 1852 O HIS A 188 5.988 -3.081 8.537 1.00 1.24 O ATOM 1853 CB HIS A 188 8.611 -2.693 9.934 1.00 1.61 C ATOM 1854 CG HIS A 188 8.077 -1.616 10.839 1.00 1.70 C ATOM 1855 ND1 HIS A 188 8.845 -0.574 11.306 1.00 1.87 N ATOM 1856 CD2 HIS A 188 6.848 -1.440 11.380 1.00 1.78 C ATOM 1857 CE1 HIS A 188 8.113 0.194 12.093 1.00 2.02 C ATOM 1858 NE2 HIS A 188 6.896 -0.307 12.155 1.00 1.98 N ATOM 0 H HIS A 188 9.358 -0.680 8.494 1.00 1.31 H new ATOM 0 HA HIS A 188 8.587 -3.436 7.932 1.00 1.39 H new ATOM 0 HB2 HIS A 188 8.195 -3.649 10.252 1.00 1.61 H new ATOM 0 HB3 HIS A 188 9.691 -2.754 10.070 1.00 1.61 H new ATOM 0 HD2 HIS A 188 5.987 -2.075 11.230 1.00 1.78 H new ATOM 0 HE1 HIS A 188 8.455 1.084 12.601 1.00 2.02 H new ATOM 0 HE2 HIS A 188 6.119 0.082 12.689 1.00 1.98 H new ATOM 1867 N GLU A 189 6.513 -1.097 7.616 1.00 1.06 N ATOM 1868 CA GLU A 189 5.134 -0.781 7.263 1.00 0.92 C ATOM 1869 C GLU A 189 4.790 -1.451 5.939 1.00 0.81 C ATOM 1870 O GLU A 189 5.685 -1.798 5.168 1.00 1.08 O ATOM 1871 CB GLU A 189 4.930 0.734 7.171 1.00 0.90 C ATOM 1872 CG GLU A 189 5.405 1.494 8.403 1.00 1.26 C ATOM 1873 CD GLU A 189 4.668 1.107 9.673 1.00 2.13 C ATOM 1874 OE1 GLU A 189 4.666 -0.082 10.028 1.00 2.73 O ATOM 1875 OE2 GLU A 189 4.122 2.004 10.348 1.00 2.47 O ATOM 0 H GLU A 189 7.188 -0.369 7.382 1.00 1.06 H new ATOM 0 HA GLU A 189 4.470 -1.158 8.041 1.00 0.92 H new ATOM 0 HB2 GLU A 189 5.461 1.110 6.296 1.00 0.90 H new ATOM 0 HB3 GLU A 189 3.871 0.940 7.014 1.00 0.90 H new ATOM 0 HG2 GLU A 189 6.471 1.315 8.542 1.00 1.26 H new ATOM 0 HG3 GLU A 189 5.281 2.563 8.231 1.00 1.26 H new ATOM 1882 N THR A 190 3.507 -1.641 5.670 1.00 0.56 N ATOM 1883 CA THR A 190 3.105 -2.395 4.497 1.00 0.44 C ATOM 1884 C THR A 190 2.845 -1.481 3.303 1.00 0.40 C ATOM 1885 O THR A 190 2.023 -0.564 3.368 1.00 0.47 O ATOM 1886 CB THR A 190 1.851 -3.241 4.786 1.00 0.36 C ATOM 1887 OG1 THR A 190 1.982 -3.886 6.061 1.00 0.45 O ATOM 1888 CG2 THR A 190 1.657 -4.296 3.709 1.00 0.36 C ATOM 0 H THR A 190 2.738 -1.289 6.240 1.00 0.56 H new ATOM 0 HA THR A 190 3.932 -3.060 4.248 1.00 0.44 H new ATOM 0 HB THR A 190 0.985 -2.579 4.794 1.00 0.36 H new ATOM 0 HG1 THR A 190 1.181 -4.421 6.241 1.00 0.45 H new ATOM 0 HG21 THR A 190 0.766 -4.883 3.931 1.00 0.36 H new ATOM 0 HG22 THR A 190 1.539 -3.810 2.741 1.00 0.36 H new ATOM 0 HG23 THR A 190 2.527 -4.952 3.682 1.00 0.36 H new ATOM 1896 N LEU A 191 3.553 -1.730 2.211 1.00 0.38 N ATOM 1897 CA LEU A 191 3.358 -0.971 0.988 1.00 0.36 C ATOM 1898 C LEU A 191 2.323 -1.679 0.118 1.00 0.32 C ATOM 1899 O LEU A 191 2.581 -2.749 -0.429 1.00 0.35 O ATOM 1900 CB LEU A 191 4.691 -0.809 0.240 1.00 0.43 C ATOM 1901 CG LEU A 191 4.768 0.347 -0.771 1.00 0.57 C ATOM 1902 CD1 LEU A 191 3.889 0.090 -1.986 1.00 0.97 C ATOM 1903 CD2 LEU A 191 4.388 1.665 -0.107 1.00 0.90 C ATOM 0 H LEU A 191 4.269 -2.454 2.149 1.00 0.38 H new ATOM 0 HA LEU A 191 2.992 0.027 1.231 1.00 0.36 H new ATOM 0 HB2 LEU A 191 5.483 -0.673 0.977 1.00 0.43 H new ATOM 0 HB3 LEU A 191 4.903 -1.739 -0.287 1.00 0.43 H new ATOM 0 HG LEU A 191 5.799 0.413 -1.117 1.00 0.57 H new ATOM 0 HD11 LEU A 191 3.970 0.929 -2.678 1.00 0.97 H new ATOM 0 HD12 LEU A 191 4.214 -0.823 -2.484 1.00 0.97 H new ATOM 0 HD13 LEU A 191 2.852 -0.020 -1.668 1.00 0.97 H new ATOM 0 HD21 LEU A 191 4.448 2.471 -0.838 1.00 0.90 H new ATOM 0 HD22 LEU A 191 3.370 1.599 0.277 1.00 0.90 H new ATOM 0 HD23 LEU A 191 5.073 1.869 0.716 1.00 0.90 H new ATOM 1915 N LEU A 192 1.156 -1.074 0.009 1.00 0.31 N ATOM 1916 CA LEU A 192 0.044 -1.654 -0.728 1.00 0.32 C ATOM 1917 C LEU A 192 0.103 -1.206 -2.181 1.00 0.37 C ATOM 1918 O LEU A 192 0.243 -0.016 -2.466 1.00 0.38 O ATOM 1919 CB LEU A 192 -1.271 -1.194 -0.081 1.00 0.39 C ATOM 1920 CG LEU A 192 -2.562 -1.926 -0.483 1.00 0.58 C ATOM 1921 CD1 LEU A 192 -3.064 -1.466 -1.841 1.00 1.10 C ATOM 1922 CD2 LEU A 192 -2.353 -3.429 -0.481 1.00 1.34 C ATOM 0 H LEU A 192 0.950 -0.167 0.428 1.00 0.31 H new ATOM 0 HA LEU A 192 0.102 -2.742 -0.698 1.00 0.32 H new ATOM 0 HB2 LEU A 192 -1.160 -1.279 1.000 1.00 0.39 H new ATOM 0 HB3 LEU A 192 -1.402 -0.135 -0.305 1.00 0.39 H new ATOM 0 HG LEU A 192 -3.322 -1.678 0.258 1.00 0.58 H new ATOM 0 HD11 LEU A 192 -3.978 -2.004 -2.093 1.00 1.10 H new ATOM 0 HD12 LEU A 192 -3.270 -0.396 -1.809 1.00 1.10 H new ATOM 0 HD13 LEU A 192 -2.305 -1.667 -2.597 1.00 1.10 H new ATOM 0 HD21 LEU A 192 -3.280 -3.926 -0.768 1.00 1.34 H new ATOM 0 HD22 LEU A 192 -1.567 -3.688 -1.191 1.00 1.34 H new ATOM 0 HD23 LEU A 192 -2.062 -3.754 0.518 1.00 1.34 H new ATOM 1934 N LEU A 193 0.011 -2.151 -3.095 1.00 0.48 N ATOM 1935 CA LEU A 193 -0.049 -1.822 -4.504 1.00 0.58 C ATOM 1936 C LEU A 193 -1.482 -1.968 -4.985 1.00 0.61 C ATOM 1937 O LEU A 193 -2.077 -3.045 -4.883 1.00 0.64 O ATOM 1938 CB LEU A 193 0.884 -2.734 -5.321 1.00 0.65 C ATOM 1939 CG LEU A 193 1.297 -2.227 -6.720 1.00 0.76 C ATOM 1940 CD1 LEU A 193 2.219 -3.230 -7.391 1.00 1.36 C ATOM 1941 CD2 LEU A 193 0.095 -1.963 -7.611 1.00 1.47 C ATOM 0 H LEU A 193 -0.024 -3.149 -2.888 1.00 0.48 H new ATOM 0 HA LEU A 193 0.284 -0.794 -4.645 1.00 0.58 H new ATOM 0 HB2 LEU A 193 1.790 -2.903 -4.739 1.00 0.65 H new ATOM 0 HB3 LEU A 193 0.396 -3.701 -5.440 1.00 0.65 H new ATOM 0 HG LEU A 193 1.821 -1.282 -6.578 1.00 0.76 H new ATOM 0 HD11 LEU A 193 2.503 -2.861 -8.376 1.00 1.36 H new ATOM 0 HD12 LEU A 193 3.113 -3.366 -6.783 1.00 1.36 H new ATOM 0 HD13 LEU A 193 1.703 -4.185 -7.496 1.00 1.36 H new ATOM 0 HD21 LEU A 193 0.434 -1.608 -8.584 1.00 1.47 H new ATOM 0 HD22 LEU A 193 -0.473 -2.885 -7.739 1.00 1.47 H new ATOM 0 HD23 LEU A 193 -0.540 -1.206 -7.150 1.00 1.47 H new ATOM 1953 N ARG A 194 -2.037 -0.884 -5.494 1.00 0.67 N ATOM 1954 CA ARG A 194 -3.363 -0.913 -6.072 1.00 0.73 C ATOM 1955 C ARG A 194 -3.442 0.092 -7.206 1.00 0.79 C ATOM 1956 O ARG A 194 -3.197 1.281 -7.008 1.00 0.92 O ATOM 1957 CB ARG A 194 -4.424 -0.607 -5.012 1.00 0.83 C ATOM 1958 CG ARG A 194 -5.840 -0.944 -5.454 1.00 0.96 C ATOM 1959 CD ARG A 194 -6.837 -0.724 -4.330 1.00 1.01 C ATOM 1960 NE ARG A 194 -8.162 -1.244 -4.666 1.00 1.54 N ATOM 1961 CZ ARG A 194 -9.155 -1.383 -3.785 1.00 2.04 C ATOM 1962 NH1 ARG A 194 -8.984 -1.018 -2.520 1.00 2.27 N ATOM 1963 NH2 ARG A 194 -10.315 -1.894 -4.172 1.00 2.86 N ATOM 0 H ARG A 194 -1.586 0.030 -5.518 1.00 0.67 H new ATOM 0 HA ARG A 194 -3.557 -1.912 -6.462 1.00 0.73 H new ATOM 0 HB2 ARG A 194 -4.192 -1.166 -4.106 1.00 0.83 H new ATOM 0 HB3 ARG A 194 -4.374 0.451 -4.755 1.00 0.83 H new ATOM 0 HG2 ARG A 194 -6.112 -0.327 -6.310 1.00 0.96 H new ATOM 0 HG3 ARG A 194 -5.883 -1.982 -5.783 1.00 0.96 H new ATOM 0 HD2 ARG A 194 -6.475 -1.210 -3.424 1.00 1.01 H new ATOM 0 HD3 ARG A 194 -6.910 0.342 -4.113 1.00 1.01 H new ATOM 0 HE ARG A 194 -8.338 -1.517 -5.633 1.00 1.54 H new ATOM 0 HH11 ARG A 194 -8.091 -0.629 -2.218 1.00 2.27 H new ATOM 0 HH12 ARG A 194 -9.746 -1.126 -1.851 1.00 2.27 H new ATOM 0 HH21 ARG A 194 -10.448 -2.180 -5.142 1.00 2.86 H new ATOM 0 HH22 ARG A 194 -11.075 -2.001 -3.500 1.00 2.86 H new ATOM 1977 N ARG A 195 -3.751 -0.396 -8.402 1.00 0.85 N ATOM 1978 CA ARG A 195 -3.878 0.469 -9.567 1.00 0.94 C ATOM 1979 C ARG A 195 -4.865 1.594 -9.291 1.00 1.05 C ATOM 1980 O ARG A 195 -5.871 1.390 -8.607 1.00 1.43 O ATOM 1981 CB ARG A 195 -4.310 -0.336 -10.799 1.00 1.08 C ATOM 1982 CG ARG A 195 -5.541 -1.201 -10.572 1.00 1.07 C ATOM 1983 CD ARG A 195 -5.959 -1.917 -11.845 1.00 1.26 C ATOM 1984 NE ARG A 195 -6.995 -2.919 -11.596 1.00 1.14 N ATOM 1985 CZ ARG A 195 -7.687 -3.534 -12.553 1.00 1.41 C ATOM 1986 NH1 ARG A 195 -7.530 -3.191 -13.828 1.00 1.79 N ATOM 1987 NH2 ARG A 195 -8.560 -4.478 -12.229 1.00 2.01 N ATOM 0 H ARG A 195 -3.918 -1.385 -8.589 1.00 0.85 H new ATOM 0 HA ARG A 195 -2.902 0.908 -9.773 1.00 0.94 H new ATOM 0 HB2 ARG A 195 -4.509 0.353 -11.619 1.00 1.08 H new ATOM 0 HB3 ARG A 195 -3.483 -0.974 -11.112 1.00 1.08 H new ATOM 0 HG2 ARG A 195 -5.334 -1.934 -9.792 1.00 1.07 H new ATOM 0 HG3 ARG A 195 -6.363 -0.580 -10.216 1.00 1.07 H new ATOM 0 HD2 ARG A 195 -6.326 -1.188 -12.567 1.00 1.26 H new ATOM 0 HD3 ARG A 195 -5.089 -2.398 -12.292 1.00 1.26 H new ATOM 0 HE ARG A 195 -7.201 -3.162 -10.627 1.00 1.14 H new ATOM 0 HH11 ARG A 195 -6.875 -2.451 -14.080 1.00 1.79 H new ATOM 0 HH12 ARG A 195 -8.065 -3.668 -14.554 1.00 1.79 H new ATOM 0 HH21 ARG A 195 -8.699 -4.730 -11.250 1.00 2.01 H new ATOM 0 HH22 ARG A 195 -9.093 -4.952 -12.958 1.00 2.01 H new ATOM 2001 N LYS A 196 -4.565 2.780 -9.802 1.00 1.10 N ATOM 2002 CA LYS A 196 -5.398 3.936 -9.560 1.00 1.22 C ATOM 2003 C LYS A 196 -6.706 3.760 -10.304 1.00 1.40 C ATOM 2004 O LYS A 196 -6.786 3.985 -11.510 1.00 2.26 O ATOM 2005 CB LYS A 196 -4.686 5.223 -9.977 1.00 1.40 C ATOM 2006 CG LYS A 196 -5.111 6.443 -9.172 1.00 1.16 C ATOM 2007 CD LYS A 196 -4.942 6.202 -7.678 1.00 1.16 C ATOM 2008 CE LYS A 196 -4.967 7.497 -6.879 1.00 1.32 C ATOM 2009 NZ LYS A 196 -3.706 8.277 -7.028 1.00 1.72 N ATOM 0 H LYS A 196 -3.749 2.961 -10.387 1.00 1.10 H new ATOM 0 HA LYS A 196 -5.603 4.021 -8.493 1.00 1.22 H new ATOM 0 HB2 LYS A 196 -3.610 5.084 -9.870 1.00 1.40 H new ATOM 0 HB3 LYS A 196 -4.880 5.410 -11.033 1.00 1.40 H new ATOM 0 HG2 LYS A 196 -4.517 7.306 -9.473 1.00 1.16 H new ATOM 0 HG3 LYS A 196 -6.152 6.681 -9.389 1.00 1.16 H new ATOM 0 HD2 LYS A 196 -5.737 5.545 -7.326 1.00 1.16 H new ATOM 0 HD3 LYS A 196 -3.999 5.685 -7.500 1.00 1.16 H new ATOM 0 HE2 LYS A 196 -5.810 8.107 -7.205 1.00 1.32 H new ATOM 0 HE3 LYS A 196 -5.128 7.268 -5.825 1.00 1.32 H new ATOM 0 HZ1 LYS A 196 -3.626 8.960 -6.247 1.00 1.72 H new ATOM 0 HZ2 LYS A 196 -2.893 7.629 -7.007 1.00 1.72 H new ATOM 0 HZ3 LYS A 196 -3.718 8.787 -7.934 1.00 1.72 H new