USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 830 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 24 LYS NZ :NH3+ -134:sc= -1.1! (180deg=-1.42) USER MOD Set 1.2: B 26 GLN : amide:sc= -0.179 K(o=-1.3,f=-8.3!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -150:sc= -1.3! (180deg=-1.49) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.0723 K(o=-1.2,f=-8.5!) USER MOD Single : A 2 THR OG1 : rot 45:sc= 0.0141 USER MOD Single : A 12 GLN : amide:sc= -8.61! C(o=-8.6!,f=-5.6!) USER MOD Single : A 13 THR OG1 : rot 93:sc= -2.02 USER MOD Single : A 16 ASN : amide:sc= 0.656 K(o=0.66,f=-4.6!) USER MOD Single : A 18 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 79:sc= 0.761 USER MOD Single : A 40 GLN : amide:sc= -5.35! C(o=-5.4!,f=-8.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.24) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 103:sc= 0.363 USER MOD Single : A 60 THR OG1 : rot -11:sc= -2.72! USER MOD Single : A 61 THR OG1 : rot -78:sc= 0.131 USER MOD Single : A 63 ASN : amide:sc= -2.14! K(o=-2.1!,f=-1.3) USER MOD Single : A 65 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.061) USER MOD Single : A 66 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=-0.29) USER MOD Single : B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 GLN : amide:sc= -8.62! C(o=-8.6!,f=-5.7!) USER MOD Single : B 13 THR OG1 : rot 130:sc= -1.96! USER MOD Single : B 16 ASN : amide:sc= 0.656 K(o=0.66,f=-4.8!) USER MOD Single : B 18 GLN : amide:sc= -2.65! C(o=-2.6!,f=-4.9!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 80:sc= 0.735 USER MOD Single : B 40 GLN : amide:sc= -5.09! C(o=-5.1!,f=-8.7!) USER MOD Single : B 45 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0.00181 USER MOD Single : B 52 ASN : amide:sc= -0.794 X(o=-0.79,f=-0.3) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 104:sc= 0.369 USER MOD Single : B 60 THR OG1 : rot -6:sc= -2.89! USER MOD Single : B 61 THR OG1 : rot -78:sc= 0.139 USER MOD Single : B 63 ASN : amide:sc= -2.21! K(o=-2.2!,f=-1.3) USER MOD Single : B 65 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 2 -13.682 -7.015 -8.052 1.00 0.59 N ATOM 28 CA THR A 2 -12.676 -7.221 -6.979 1.00 0.59 C ATOM 29 C THR A 2 -12.313 -5.891 -6.293 1.00 0.59 C ATOM 30 O THR A 2 -12.940 -5.467 -5.358 1.00 0.61 O ATOM 31 CB THR A 2 -11.467 -7.800 -7.700 1.00 0.62 C ATOM 32 OG1 THR A 2 -11.726 -9.154 -8.045 1.00 0.66 O ATOM 33 CG2 THR A 2 -10.277 -7.728 -6.768 1.00 0.61 C ATOM 0 HA THR A 2 -13.047 -7.875 -6.190 1.00 0.59 H new ATOM 0 HB THR A 2 -11.263 -7.236 -8.610 1.00 0.62 H new ATOM 0 HG1 THR A 2 -12.628 -9.229 -8.421 1.00 0.66 H new ATOM 0 HG21 THR A 2 -9.399 -8.139 -7.267 1.00 0.61 H new ATOM 0 HG22 THR A 2 -10.088 -6.689 -6.498 1.00 0.61 H new ATOM 0 HG23 THR A 2 -10.485 -8.305 -5.867 1.00 0.61 H new ATOM 41 N CYS A 3 -11.291 -5.230 -6.715 1.00 0.58 N ATOM 42 CA CYS A 3 -10.938 -3.978 -6.004 1.00 0.55 C ATOM 43 C CYS A 3 -11.103 -2.782 -6.936 1.00 0.54 C ATOM 44 O CYS A 3 -12.037 -2.020 -6.801 1.00 0.56 O ATOM 45 CB CYS A 3 -9.477 -4.177 -5.568 1.00 0.54 C ATOM 46 SG CYS A 3 -9.192 -3.438 -3.925 1.00 0.49 S ATOM 0 H CYS A 3 -10.693 -5.487 -7.501 1.00 0.58 H new ATOM 0 HA CYS A 3 -11.580 -3.776 -5.146 1.00 0.55 H new ATOM 0 HB2 CYS A 3 -9.242 -5.241 -5.540 1.00 0.54 H new ATOM 0 HB3 CYS A 3 -8.808 -3.722 -6.299 1.00 0.54 H new ATOM 150 N PRO A 11 -15.807 -2.592 -6.912 1.00 0.49 N ATOM 151 CA PRO A 11 -16.205 -4.026 -6.846 1.00 0.53 C ATOM 152 C PRO A 11 -15.764 -4.620 -5.489 1.00 0.54 C ATOM 153 O PRO A 11 -15.867 -3.956 -4.479 1.00 0.54 O ATOM 154 CB PRO A 11 -15.459 -4.648 -8.021 1.00 0.53 C ATOM 155 CG PRO A 11 -14.281 -3.757 -8.234 1.00 0.48 C ATOM 156 CD PRO A 11 -14.757 -2.372 -7.917 1.00 0.47 C ATOM 0 HA PRO A 11 -17.279 -4.202 -6.911 1.00 0.53 H new ATOM 0 HB2 PRO A 11 -15.149 -5.669 -7.798 1.00 0.53 H new ATOM 0 HB3 PRO A 11 -16.088 -4.693 -8.910 1.00 0.53 H new ATOM 0 HG2 PRO A 11 -13.452 -4.043 -7.587 1.00 0.48 H new ATOM 0 HG3 PRO A 11 -13.922 -3.822 -9.261 1.00 0.48 H new ATOM 0 HD2 PRO A 11 -13.951 -1.750 -7.526 1.00 0.47 H new ATOM 0 HD3 PRO A 11 -15.147 -1.869 -8.802 1.00 0.47 H new ATOM 164 N GLN A 12 -15.266 -5.843 -5.428 1.00 0.57 N ATOM 165 CA GLN A 12 -14.842 -6.391 -4.097 1.00 0.56 C ATOM 166 C GLN A 12 -13.906 -7.595 -4.263 1.00 0.58 C ATOM 167 O GLN A 12 -14.360 -8.704 -4.462 1.00 0.64 O ATOM 168 CB GLN A 12 -16.137 -6.839 -3.415 1.00 0.59 C ATOM 169 CG GLN A 12 -16.734 -5.696 -2.588 1.00 0.64 C ATOM 170 CD GLN A 12 -15.642 -5.039 -1.740 1.00 0.62 C ATOM 171 OE1 GLN A 12 -15.658 -3.842 -1.531 1.00 0.74 O ATOM 172 NE2 GLN A 12 -14.687 -5.777 -1.243 1.00 0.60 N ATOM 0 H GLN A 12 -15.139 -6.468 -6.224 1.00 0.57 H new ATOM 0 HA GLN A 12 -14.298 -5.643 -3.520 1.00 0.56 H new ATOM 0 HB2 GLN A 12 -16.856 -7.166 -4.166 1.00 0.59 H new ATOM 0 HB3 GLN A 12 -15.938 -7.696 -2.771 1.00 0.59 H new ATOM 0 HG2 GLN A 12 -17.188 -4.957 -3.248 1.00 0.64 H new ATOM 0 HG3 GLN A 12 -17.526 -6.077 -1.944 1.00 0.64 H new ATOM 0 HE21 GLN A 12 -14.675 -6.782 -1.419 1.00 0.60 H new ATOM 0 HE22 GLN A 12 -13.953 -5.349 -0.678 1.00 0.60 H new ATOM 181 N THR A 13 -12.604 -7.411 -4.156 1.00 0.57 N ATOM 182 CA THR A 13 -11.679 -8.584 -4.281 1.00 0.59 C ATOM 183 C THR A 13 -12.244 -9.720 -3.473 1.00 0.56 C ATOM 184 O THR A 13 -12.034 -10.890 -3.721 1.00 0.57 O ATOM 185 CB THR A 13 -10.404 -8.157 -3.570 1.00 0.58 C ATOM 186 OG1 THR A 13 -9.849 -6.996 -4.163 1.00 0.58 O ATOM 187 CG2 THR A 13 -9.402 -9.298 -3.622 1.00 0.65 C ATOM 0 H THR A 13 -12.151 -6.512 -3.990 1.00 0.57 H new ATOM 0 HA THR A 13 -11.532 -8.878 -5.320 1.00 0.59 H new ATOM 0 HB THR A 13 -10.644 -7.918 -2.534 1.00 0.58 H new ATOM 0 HG1 THR A 13 -10.177 -6.200 -3.694 1.00 0.58 H new ATOM 0 HG21 THR A 13 -8.485 -9.000 -3.114 1.00 0.65 H new ATOM 0 HG22 THR A 13 -9.822 -10.174 -3.128 1.00 0.65 H new ATOM 0 HG23 THR A 13 -9.179 -9.540 -4.661 1.00 0.65 H new ATOM 195 N CYS A 14 -12.904 -9.325 -2.461 1.00 0.59 N ATOM 196 CA CYS A 14 -13.484 -10.278 -1.491 1.00 0.59 C ATOM 197 C CYS A 14 -14.402 -11.306 -2.172 1.00 0.79 C ATOM 198 O CYS A 14 -15.362 -10.948 -2.828 1.00 1.20 O ATOM 199 CB CYS A 14 -14.274 -9.398 -0.524 1.00 0.56 C ATOM 200 SG CYS A 14 -13.160 -8.159 0.185 1.00 0.52 S ATOM 0 H CYS A 14 -13.081 -8.344 -2.244 1.00 0.59 H new ATOM 0 HA CYS A 14 -12.714 -10.867 -0.994 1.00 0.59 H new ATOM 0 HB2 CYS A 14 -15.098 -8.910 -1.045 1.00 0.56 H new ATOM 0 HB3 CYS A 14 -14.713 -10.007 0.267 1.00 0.56 H new ATOM 205 N PRO A 15 -14.071 -12.559 -1.977 1.00 0.91 N ATOM 206 CA PRO A 15 -14.867 -13.676 -2.560 1.00 1.05 C ATOM 207 C PRO A 15 -16.170 -13.876 -1.781 1.00 0.66 C ATOM 208 O PRO A 15 -17.104 -14.492 -2.254 1.00 0.86 O ATOM 209 CB PRO A 15 -13.958 -14.888 -2.383 1.00 1.34 C ATOM 210 CG PRO A 15 -13.067 -14.545 -1.231 1.00 1.47 C ATOM 211 CD PRO A 15 -12.927 -13.046 -1.201 1.00 1.37 C ATOM 0 HA PRO A 15 -15.152 -13.497 -3.597 1.00 1.05 H new ATOM 0 HB2 PRO A 15 -14.537 -15.788 -2.178 1.00 1.34 H new ATOM 0 HB3 PRO A 15 -13.378 -15.081 -3.286 1.00 1.34 H new ATOM 0 HG2 PRO A 15 -13.491 -14.910 -0.296 1.00 1.47 H new ATOM 0 HG3 PRO A 15 -12.092 -15.019 -1.345 1.00 1.47 H new ATOM 0 HD2 PRO A 15 -12.948 -12.665 -0.180 1.00 1.37 H new ATOM 0 HD3 PRO A 15 -11.983 -12.726 -1.641 1.00 1.37 H new ATOM 219 N ASN A 16 -16.229 -13.368 -0.586 1.00 0.39 N ATOM 220 CA ASN A 16 -17.458 -13.528 0.241 1.00 0.46 C ATOM 221 C ASN A 16 -17.790 -12.196 0.918 1.00 0.56 C ATOM 222 O ASN A 16 -17.596 -11.139 0.350 1.00 0.57 O ATOM 223 CB ASN A 16 -17.090 -14.603 1.270 1.00 0.76 C ATOM 224 CG ASN A 16 -18.357 -15.296 1.780 1.00 1.17 C ATOM 225 OD1 ASN A 16 -18.991 -14.827 2.704 1.00 1.37 O ATOM 226 ND2 ASN A 16 -18.758 -16.403 1.214 1.00 1.47 N ATOM 0 H ASN A 16 -15.475 -12.845 -0.141 1.00 0.39 H new ATOM 0 HA ASN A 16 -18.336 -13.814 -0.338 1.00 0.46 H new ATOM 0 HB2 ASN A 16 -16.421 -15.336 0.819 1.00 0.76 H new ATOM 0 HB3 ASN A 16 -16.552 -14.151 2.104 1.00 0.76 H new ATOM 0 HD21 ASN A 16 -19.601 -16.870 1.548 1.00 1.47 H new ATOM 0 HD22 ASN A 16 -18.228 -16.800 0.438 1.00 1.47 H new ATOM 233 N GLY A 17 -18.285 -12.230 2.124 1.00 0.82 N ATOM 234 CA GLY A 17 -18.619 -10.956 2.824 1.00 0.96 C ATOM 235 C GLY A 17 -17.353 -10.109 2.962 1.00 0.97 C ATOM 236 O GLY A 17 -16.444 -10.208 2.162 1.00 0.96 O ATOM 0 H GLY A 17 -18.473 -13.081 2.654 1.00 0.82 H new ATOM 0 HA2 GLY A 17 -19.378 -10.408 2.265 1.00 0.96 H new ATOM 0 HA3 GLY A 17 -19.038 -11.167 3.808 1.00 0.96 H new ATOM 240 N GLN A 18 -17.286 -9.274 3.969 1.00 1.08 N ATOM 241 CA GLN A 18 -16.078 -8.413 4.159 1.00 1.15 C ATOM 242 C GLN A 18 -15.717 -7.715 2.847 1.00 0.98 C ATOM 243 O GLN A 18 -15.175 -8.315 1.948 1.00 1.04 O ATOM 244 CB GLN A 18 -14.956 -9.363 4.586 1.00 1.49 C ATOM 245 CG GLN A 18 -14.788 -9.305 6.106 1.00 1.65 C ATOM 246 CD GLN A 18 -14.404 -10.688 6.632 1.00 2.03 C ATOM 247 OE1 GLN A 18 -13.300 -10.890 7.101 1.00 2.27 O ATOM 248 NE2 GLN A 18 -15.275 -11.656 6.575 1.00 2.17 N ATOM 0 H GLN A 18 -18.017 -9.151 4.669 1.00 1.08 H new ATOM 0 HA GLN A 18 -16.248 -7.634 4.902 1.00 1.15 H new ATOM 0 HB2 GLN A 18 -15.189 -10.381 4.274 1.00 1.49 H new ATOM 0 HB3 GLN A 18 -14.023 -9.085 4.096 1.00 1.49 H new ATOM 0 HG2 GLN A 18 -14.020 -8.578 6.370 1.00 1.65 H new ATOM 0 HG3 GLN A 18 -15.715 -8.972 6.572 1.00 1.65 H new ATOM 0 HE21 GLN A 18 -16.201 -11.487 6.182 1.00 2.17 H new ATOM 0 HE22 GLN A 18 -15.031 -12.583 6.924 1.00 2.17 H new ATOM 257 N ASP A 19 -16.021 -6.453 2.727 1.00 0.83 N ATOM 258 CA ASP A 19 -15.699 -5.725 1.463 1.00 0.68 C ATOM 259 C ASP A 19 -14.383 -4.956 1.605 1.00 0.57 C ATOM 260 O ASP A 19 -14.328 -3.765 1.377 1.00 0.65 O ATOM 261 CB ASP A 19 -16.859 -4.751 1.266 1.00 0.67 C ATOM 262 CG ASP A 19 -16.952 -3.820 2.477 1.00 0.80 C ATOM 263 OD1 ASP A 19 -16.470 -4.203 3.531 1.00 0.95 O ATOM 264 OD2 ASP A 19 -17.503 -2.743 2.330 1.00 0.84 O ATOM 0 H ASP A 19 -16.478 -5.893 3.447 1.00 0.83 H new ATOM 0 HA ASP A 19 -15.579 -6.405 0.619 1.00 0.68 H new ATOM 0 HB2 ASP A 19 -16.709 -4.169 0.357 1.00 0.67 H new ATOM 0 HB3 ASP A 19 -17.793 -5.300 1.143 1.00 0.67 H new ATOM 269 N ILE A 20 -13.326 -5.617 1.990 1.00 0.44 N ATOM 270 CA ILE A 20 -12.032 -4.895 2.150 1.00 0.35 C ATOM 271 C ILE A 20 -10.896 -5.629 1.416 1.00 0.30 C ATOM 272 O ILE A 20 -10.776 -6.834 1.480 1.00 0.51 O ATOM 273 CB ILE A 20 -11.802 -4.872 3.662 1.00 0.28 C ATOM 274 CG1 ILE A 20 -10.656 -3.905 3.993 1.00 0.34 C ATOM 275 CG2 ILE A 20 -11.477 -6.283 4.164 1.00 0.30 C ATOM 276 CD1 ILE A 20 -9.300 -4.603 3.858 1.00 0.36 C ATOM 0 H ILE A 20 -13.301 -6.615 2.199 1.00 0.44 H new ATOM 0 HA ILE A 20 -12.054 -3.893 1.722 1.00 0.35 H new ATOM 0 HB ILE A 20 -12.708 -4.529 4.161 1.00 0.28 H new ATOM 0 HG12 ILE A 20 -10.695 -3.045 3.325 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -10.776 -3.526 5.008 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -11.315 -6.257 5.242 1.00 0.30 H new ATOM 0 HG22 ILE A 20 -12.309 -6.950 3.938 1.00 0.30 H new ATOM 0 HG23 ILE A 20 -10.576 -6.646 3.670 1.00 0.30 H new ATOM 0 HD11 ILE A 20 -8.503 -3.899 4.097 1.00 0.36 H new ATOM 0 HD12 ILE A 20 -9.256 -5.448 4.545 1.00 0.36 H new ATOM 0 HD13 ILE A 20 -9.174 -4.959 2.836 1.00 0.36 H new ATOM 288 N CYS A 21 -10.060 -4.897 0.720 1.00 0.29 N ATOM 289 CA CYS A 21 -8.926 -5.537 -0.022 1.00 0.27 C ATOM 290 C CYS A 21 -7.712 -5.687 0.900 1.00 0.28 C ATOM 291 O CYS A 21 -7.510 -4.909 1.810 1.00 0.29 O ATOM 292 CB CYS A 21 -8.592 -4.575 -1.171 1.00 0.35 C ATOM 293 SG CYS A 21 -9.725 -4.842 -2.565 1.00 0.46 S ATOM 0 H CYS A 21 -10.113 -3.882 0.633 1.00 0.29 H new ATOM 0 HA CYS A 21 -9.189 -6.531 -0.384 1.00 0.27 H new ATOM 0 HB2 CYS A 21 -8.667 -3.544 -0.825 1.00 0.35 H new ATOM 0 HB3 CYS A 21 -7.563 -4.728 -1.495 1.00 0.35 H new ATOM 298 N PHE A 22 -6.890 -6.673 0.667 1.00 0.32 N ATOM 299 CA PHE A 22 -5.696 -6.855 1.516 1.00 0.36 C ATOM 300 C PHE A 22 -4.582 -7.573 0.745 1.00 0.38 C ATOM 301 O PHE A 22 -4.771 -8.650 0.215 1.00 0.42 O ATOM 302 CB PHE A 22 -6.170 -7.694 2.709 1.00 0.42 C ATOM 303 CG PHE A 22 -4.991 -8.398 3.345 1.00 0.34 C ATOM 304 CD1 PHE A 22 -3.941 -7.654 3.900 1.00 0.38 C ATOM 305 CD2 PHE A 22 -4.950 -9.796 3.379 1.00 0.37 C ATOM 306 CE1 PHE A 22 -2.853 -8.311 4.487 1.00 0.41 C ATOM 307 CE2 PHE A 22 -3.863 -10.453 3.965 1.00 0.39 C ATOM 308 CZ PHE A 22 -2.814 -9.710 4.520 1.00 0.39 C ATOM 0 H PHE A 22 -7.001 -7.359 -0.080 1.00 0.32 H new ATOM 0 HA PHE A 22 -5.278 -5.901 1.837 1.00 0.36 H new ATOM 0 HB2 PHE A 22 -6.661 -7.054 3.442 1.00 0.42 H new ATOM 0 HB3 PHE A 22 -6.907 -8.426 2.380 1.00 0.42 H new ATOM 0 HD1 PHE A 22 -3.971 -6.575 3.875 1.00 0.38 H new ATOM 0 HD2 PHE A 22 -5.759 -10.369 2.952 1.00 0.37 H new ATOM 0 HE1 PHE A 22 -2.043 -7.738 4.915 1.00 0.41 H new ATOM 0 HE2 PHE A 22 -3.833 -11.532 3.989 1.00 0.39 H new ATOM 0 HZ PHE A 22 -1.975 -10.216 4.974 1.00 0.39 H new ATOM 318 N LEU A 23 -3.418 -6.987 0.706 1.00 0.37 N ATOM 319 CA LEU A 23 -2.268 -7.624 0.004 1.00 0.39 C ATOM 320 C LEU A 23 -1.155 -7.876 1.021 1.00 0.37 C ATOM 321 O LEU A 23 -0.919 -7.070 1.892 1.00 0.44 O ATOM 322 CB LEU A 23 -1.814 -6.603 -1.043 1.00 0.41 C ATOM 323 CG LEU A 23 -0.682 -7.198 -1.889 1.00 0.58 C ATOM 324 CD1 LEU A 23 -1.272 -8.075 -2.995 1.00 0.66 C ATOM 325 CD2 LEU A 23 0.130 -6.067 -2.525 1.00 0.73 C ATOM 0 H LEU A 23 -3.212 -6.085 1.135 1.00 0.37 H new ATOM 0 HA LEU A 23 -2.527 -8.576 -0.460 1.00 0.39 H new ATOM 0 HB2 LEU A 23 -2.652 -6.327 -1.683 1.00 0.41 H new ATOM 0 HB3 LEU A 23 -1.473 -5.691 -0.552 1.00 0.41 H new ATOM 0 HG LEU A 23 -0.036 -7.801 -1.250 1.00 0.58 H new ATOM 0 HD11 LEU A 23 -0.465 -8.496 -3.595 1.00 0.66 H new ATOM 0 HD12 LEU A 23 -1.852 -8.883 -2.548 1.00 0.66 H new ATOM 0 HD13 LEU A 23 -1.920 -7.472 -3.631 1.00 0.66 H new ATOM 0 HD21 LEU A 23 0.935 -6.490 -3.126 1.00 0.73 H new ATOM 0 HD22 LEU A 23 -0.520 -5.465 -3.160 1.00 0.73 H new ATOM 0 HD23 LEU A 23 0.554 -5.439 -1.742 1.00 0.73 H new ATOM 337 N LYS A 24 -0.475 -8.982 0.938 1.00 0.36 N ATOM 338 CA LYS A 24 0.607 -9.241 1.928 1.00 0.35 C ATOM 339 C LYS A 24 1.906 -9.640 1.228 1.00 0.33 C ATOM 340 O LYS A 24 2.002 -10.686 0.618 1.00 0.38 O ATOM 341 CB LYS A 24 0.086 -10.388 2.793 1.00 0.34 C ATOM 342 CG LYS A 24 1.129 -10.742 3.857 1.00 0.36 C ATOM 343 CD LYS A 24 1.166 -9.650 4.929 1.00 0.39 C ATOM 344 CE LYS A 24 1.225 -10.295 6.317 1.00 0.40 C ATOM 345 NZ LYS A 24 2.357 -11.264 6.247 1.00 0.43 N ATOM 0 H LYS A 24 -0.617 -9.710 0.238 1.00 0.36 H new ATOM 0 HA LYS A 24 0.838 -8.354 2.518 1.00 0.35 H new ATOM 0 HB2 LYS A 24 -0.852 -10.101 3.269 1.00 0.34 H new ATOM 0 HB3 LYS A 24 -0.125 -11.259 2.172 1.00 0.34 H new ATOM 0 HG2 LYS A 24 0.887 -11.703 4.311 1.00 0.36 H new ATOM 0 HG3 LYS A 24 2.111 -10.846 3.396 1.00 0.36 H new ATOM 0 HD2 LYS A 24 2.033 -9.007 4.778 1.00 0.39 H new ATOM 0 HD3 LYS A 24 0.282 -9.017 4.848 1.00 0.39 H new ATOM 0 HE2 LYS A 24 1.393 -9.548 7.092 1.00 0.40 H new ATOM 0 HE3 LYS A 24 0.289 -10.799 6.558 1.00 0.40 H new ATOM 0 HZ1 LYS A 24 2.172 -12.061 6.889 1.00 0.43 H new ATOM 0 HZ2 LYS A 24 2.451 -11.618 5.274 1.00 0.43 H new ATOM 0 HZ3 LYS A 24 3.238 -10.789 6.530 1.00 0.43 H new ATOM 359 N ALA A 25 2.910 -8.811 1.325 1.00 0.32 N ATOM 360 CA ALA A 25 4.213 -9.134 0.682 1.00 0.32 C ATOM 361 C ALA A 25 5.334 -9.026 1.714 1.00 0.33 C ATOM 362 O ALA A 25 5.594 -7.971 2.257 1.00 0.38 O ATOM 363 CB ALA A 25 4.386 -8.093 -0.420 1.00 0.37 C ATOM 0 H ALA A 25 2.882 -7.922 1.824 1.00 0.32 H new ATOM 0 HA ALA A 25 4.242 -10.147 0.280 1.00 0.32 H new ATOM 0 HB1 ALA A 25 5.328 -8.267 -0.940 1.00 0.37 H new ATOM 0 HB2 ALA A 25 3.561 -8.172 -1.128 1.00 0.37 H new ATOM 0 HB3 ALA A 25 4.393 -7.096 0.020 1.00 0.37 H new ATOM 369 N GLN A 26 5.988 -10.116 1.998 1.00 0.33 N ATOM 370 CA GLN A 26 7.085 -10.090 3.008 1.00 0.33 C ATOM 371 C GLN A 26 8.150 -11.140 2.665 1.00 0.33 C ATOM 372 O GLN A 26 8.017 -11.889 1.720 1.00 0.36 O ATOM 373 CB GLN A 26 6.401 -10.428 4.335 1.00 0.31 C ATOM 374 CG GLN A 26 5.943 -11.889 4.316 1.00 0.29 C ATOM 375 CD GLN A 26 5.489 -12.303 5.717 1.00 0.30 C ATOM 376 OE1 GLN A 26 4.946 -11.504 6.453 1.00 0.35 O ATOM 377 NE2 GLN A 26 5.687 -13.530 6.119 1.00 0.61 N ATOM 0 H GLN A 26 5.811 -11.027 1.574 1.00 0.33 H new ATOM 0 HA GLN A 26 7.595 -9.127 3.043 1.00 0.33 H new ATOM 0 HB2 GLN A 26 7.089 -10.262 5.164 1.00 0.31 H new ATOM 0 HB3 GLN A 26 5.547 -9.770 4.494 1.00 0.31 H new ATOM 0 HG2 GLN A 26 5.126 -12.015 3.606 1.00 0.29 H new ATOM 0 HG3 GLN A 26 6.758 -12.532 3.982 1.00 0.29 H new ATOM 0 HE21 GLN A 26 6.143 -14.202 5.501 1.00 0.61 H new ATOM 0 HE22 GLN A 26 5.386 -13.816 7.050 1.00 0.61 H new ATOM 386 N CYS A 27 9.209 -11.189 3.423 1.00 0.35 N ATOM 387 CA CYS A 27 10.293 -12.179 3.149 1.00 0.36 C ATOM 388 C CYS A 27 9.770 -13.614 3.305 1.00 0.32 C ATOM 389 O CYS A 27 8.635 -13.839 3.674 1.00 0.39 O ATOM 390 CB CYS A 27 11.369 -11.853 4.188 1.00 0.45 C ATOM 391 SG CYS A 27 10.933 -12.578 5.788 1.00 0.40 S ATOM 0 H CYS A 27 9.373 -10.583 4.227 1.00 0.35 H new ATOM 0 HA CYS A 27 10.677 -12.117 2.131 1.00 0.36 H new ATOM 0 HB2 CYS A 27 12.333 -12.238 3.857 1.00 0.45 H new ATOM 0 HB3 CYS A 27 11.474 -10.773 4.287 1.00 0.45 H new ATOM 396 N ASP A 28 10.596 -14.581 3.017 1.00 0.32 N ATOM 397 CA ASP A 28 10.167 -16.003 3.132 1.00 0.35 C ATOM 398 C ASP A 28 11.391 -16.876 3.423 1.00 0.42 C ATOM 399 O ASP A 28 12.234 -16.512 4.217 1.00 0.72 O ATOM 400 CB ASP A 28 9.562 -16.339 1.769 1.00 0.40 C ATOM 401 CG ASP A 28 8.527 -17.455 1.925 1.00 0.42 C ATOM 402 OD1 ASP A 28 8.858 -18.465 2.525 1.00 0.44 O ATOM 403 OD2 ASP A 28 7.420 -17.283 1.438 1.00 0.59 O ATOM 0 H ASP A 28 11.557 -14.446 2.704 1.00 0.32 H new ATOM 0 HA ASP A 28 9.452 -16.173 3.937 1.00 0.35 H new ATOM 0 HB2 ASP A 28 9.094 -15.453 1.340 1.00 0.40 H new ATOM 0 HB3 ASP A 28 10.346 -16.651 1.079 1.00 0.40 H new ATOM 408 N LYS A 29 11.500 -18.022 2.801 1.00 0.29 N ATOM 409 CA LYS A 29 12.674 -18.895 3.062 1.00 0.39 C ATOM 410 C LYS A 29 13.940 -18.046 3.189 1.00 0.30 C ATOM 411 O LYS A 29 14.287 -17.309 2.290 1.00 0.42 O ATOM 412 CB LYS A 29 12.778 -19.811 1.848 1.00 0.63 C ATOM 413 CG LYS A 29 13.996 -20.713 2.027 1.00 0.67 C ATOM 414 CD LYS A 29 13.533 -22.123 2.382 1.00 0.94 C ATOM 415 CE LYS A 29 13.600 -22.309 3.899 1.00 1.05 C ATOM 416 NZ LYS A 29 14.033 -23.721 4.092 1.00 1.36 N ATOM 0 H LYS A 29 10.827 -18.386 2.127 1.00 0.29 H new ATOM 0 HA LYS A 29 12.564 -19.459 3.988 1.00 0.39 H new ATOM 0 HB2 LYS A 29 11.874 -20.411 1.747 1.00 0.63 H new ATOM 0 HB3 LYS A 29 12.873 -19.222 0.936 1.00 0.63 H new ATOM 0 HG2 LYS A 29 14.586 -20.732 1.111 1.00 0.67 H new ATOM 0 HG3 LYS A 29 14.641 -20.321 2.814 1.00 0.67 H new ATOM 0 HD2 LYS A 29 12.514 -22.284 2.029 1.00 0.94 H new ATOM 0 HD3 LYS A 29 14.163 -22.861 1.885 1.00 0.94 H new ATOM 0 HE2 LYS A 29 14.307 -21.613 4.352 1.00 1.05 H new ATOM 0 HE3 LYS A 29 12.631 -22.126 4.363 1.00 1.05 H new ATOM 0 HZ1 LYS A 29 14.103 -23.927 5.109 1.00 1.36 H new ATOM 0 HZ2 LYS A 29 13.338 -24.360 3.656 1.00 1.36 H new ATOM 0 HZ3 LYS A 29 14.961 -23.864 3.646 1.00 1.36 H new ATOM 430 N PHE A 30 14.610 -18.126 4.309 1.00 0.28 N ATOM 431 CA PHE A 30 15.850 -17.312 4.537 1.00 0.28 C ATOM 432 C PHE A 30 15.505 -15.831 4.749 1.00 0.34 C ATOM 433 O PHE A 30 16.128 -15.157 5.547 1.00 0.44 O ATOM 434 CB PHE A 30 16.739 -17.490 3.299 1.00 0.31 C ATOM 435 CG PHE A 30 17.027 -18.956 3.082 1.00 0.27 C ATOM 436 CD1 PHE A 30 17.733 -19.681 4.048 1.00 0.44 C ATOM 437 CD2 PHE A 30 16.592 -19.587 1.911 1.00 0.30 C ATOM 438 CE1 PHE A 30 18.005 -21.039 3.844 1.00 0.49 C ATOM 439 CE2 PHE A 30 16.862 -20.946 1.707 1.00 0.31 C ATOM 440 CZ PHE A 30 17.568 -21.671 2.673 1.00 0.37 C ATOM 0 H PHE A 30 14.349 -18.729 5.089 1.00 0.28 H new ATOM 0 HA PHE A 30 16.367 -17.647 5.436 1.00 0.28 H new ATOM 0 HB2 PHE A 30 16.244 -17.074 2.422 1.00 0.31 H new ATOM 0 HB3 PHE A 30 17.672 -16.942 3.428 1.00 0.31 H new ATOM 0 HD1 PHE A 30 18.068 -19.193 4.951 1.00 0.44 H new ATOM 0 HD2 PHE A 30 16.048 -19.026 1.165 1.00 0.30 H new ATOM 0 HE1 PHE A 30 18.551 -21.599 4.589 1.00 0.49 H new ATOM 0 HE2 PHE A 30 16.525 -21.434 0.804 1.00 0.31 H new ATOM 0 HZ PHE A 30 17.776 -22.719 2.516 1.00 0.37 H new ATOM 450 N CYS A 31 14.525 -15.310 4.058 1.00 0.33 N ATOM 451 CA CYS A 31 14.166 -13.887 4.248 1.00 0.38 C ATOM 452 C CYS A 31 15.392 -12.994 4.051 1.00 0.43 C ATOM 453 O CYS A 31 15.397 -11.845 4.445 1.00 0.46 O ATOM 454 CB CYS A 31 13.685 -13.804 5.697 1.00 0.39 C ATOM 455 SG CYS A 31 11.954 -14.319 5.806 1.00 0.40 S ATOM 0 H CYS A 31 13.962 -15.814 3.372 1.00 0.33 H new ATOM 0 HA CYS A 31 13.412 -13.553 3.535 1.00 0.38 H new ATOM 0 HB2 CYS A 31 14.303 -14.440 6.331 1.00 0.39 H new ATOM 0 HB3 CYS A 31 13.793 -12.784 6.067 1.00 0.39 H new ATOM 460 N SER A 32 16.436 -13.502 3.455 1.00 0.43 N ATOM 461 CA SER A 32 17.645 -12.653 3.268 1.00 0.48 C ATOM 462 C SER A 32 18.314 -12.903 1.910 1.00 0.47 C ATOM 463 O SER A 32 19.278 -12.248 1.569 1.00 0.54 O ATOM 464 CB SER A 32 18.578 -13.057 4.409 1.00 0.53 C ATOM 465 OG SER A 32 17.887 -12.935 5.647 1.00 0.60 O ATOM 0 H SER A 32 16.504 -14.454 3.094 1.00 0.43 H new ATOM 0 HA SER A 32 17.395 -11.592 3.282 1.00 0.48 H new ATOM 0 HB2 SER A 32 18.919 -14.083 4.269 1.00 0.53 H new ATOM 0 HB3 SER A 32 19.465 -12.424 4.410 1.00 0.53 H new ATOM 0 HG SER A 32 17.305 -13.713 5.775 1.00 0.60 H new ATOM 471 N ILE A 33 17.836 -13.839 1.128 1.00 0.45 N ATOM 472 CA ILE A 33 18.496 -14.088 -0.187 1.00 0.47 C ATOM 473 C ILE A 33 17.481 -14.112 -1.340 1.00 0.42 C ATOM 474 O ILE A 33 17.655 -13.439 -2.337 1.00 0.39 O ATOM 475 CB ILE A 33 19.164 -15.452 -0.038 1.00 0.55 C ATOM 476 CG1 ILE A 33 20.250 -15.375 1.040 1.00 0.65 C ATOM 477 CG2 ILE A 33 19.800 -15.848 -1.372 1.00 0.65 C ATOM 478 CD1 ILE A 33 20.302 -16.695 1.815 1.00 0.64 C ATOM 0 H ILE A 33 17.032 -14.431 1.339 1.00 0.45 H new ATOM 0 HA ILE A 33 19.205 -13.297 -0.430 1.00 0.47 H new ATOM 0 HB ILE A 33 18.420 -16.194 0.250 1.00 0.55 H new ATOM 0 HG12 ILE A 33 21.218 -15.173 0.581 1.00 0.65 H new ATOM 0 HG13 ILE A 33 20.042 -14.550 1.721 1.00 0.65 H new ATOM 0 HG21 ILE A 33 20.279 -16.822 -1.272 1.00 0.65 H new ATOM 0 HG22 ILE A 33 19.029 -15.900 -2.141 1.00 0.65 H new ATOM 0 HG23 ILE A 33 20.545 -15.105 -1.655 1.00 0.65 H new ATOM 0 HD11 ILE A 33 21.075 -16.637 2.581 1.00 0.64 H new ATOM 0 HD12 ILE A 33 19.337 -16.878 2.287 1.00 0.64 H new ATOM 0 HD13 ILE A 33 20.531 -17.511 1.129 1.00 0.64 H new ATOM 490 N ARG A 34 16.430 -14.879 -1.223 1.00 0.45 N ATOM 491 CA ARG A 34 15.434 -14.940 -2.313 1.00 0.47 C ATOM 492 C ARG A 34 14.096 -15.451 -1.786 1.00 0.43 C ATOM 493 O ARG A 34 13.511 -16.364 -2.335 1.00 0.47 O ATOM 494 CB ARG A 34 16.008 -15.925 -3.328 1.00 0.62 C ATOM 495 CG ARG A 34 16.194 -17.284 -2.651 1.00 0.74 C ATOM 496 CD ARG A 34 15.547 -18.379 -3.504 1.00 1.00 C ATOM 497 NE ARG A 34 16.480 -18.572 -4.649 1.00 1.28 N ATOM 498 CZ ARG A 34 16.018 -18.927 -5.816 1.00 1.59 C ATOM 499 NH1 ARG A 34 14.897 -18.422 -6.255 1.00 1.81 N ATOM 500 NH2 ARG A 34 16.682 -19.785 -6.544 1.00 1.98 N ATOM 0 H ARG A 34 16.224 -15.465 -0.414 1.00 0.45 H new ATOM 0 HA ARG A 34 15.253 -13.958 -2.750 1.00 0.47 H new ATOM 0 HB2 ARG A 34 15.338 -16.018 -4.183 1.00 0.62 H new ATOM 0 HB3 ARG A 34 16.962 -15.560 -3.709 1.00 0.62 H new ATOM 0 HG2 ARG A 34 17.256 -17.493 -2.518 1.00 0.74 H new ATOM 0 HG3 ARG A 34 15.745 -17.271 -1.658 1.00 0.74 H new ATOM 0 HD2 ARG A 34 15.422 -19.301 -2.936 1.00 1.00 H new ATOM 0 HD3 ARG A 34 14.557 -18.080 -3.847 1.00 1.00 H new ATOM 0 HE ARG A 34 17.481 -18.426 -4.520 1.00 1.28 H new ATOM 0 HH11 ARG A 34 14.383 -17.750 -5.685 1.00 1.81 H new ATOM 0 HH12 ARG A 34 14.535 -18.699 -7.168 1.00 1.81 H new ATOM 0 HH21 ARG A 34 17.559 -20.175 -6.199 1.00 1.98 H new ATOM 0 HH22 ARG A 34 16.323 -20.065 -7.457 1.00 1.98 H new ATOM 514 N GLY A 35 13.606 -14.878 -0.726 1.00 0.38 N ATOM 515 CA GLY A 35 12.309 -15.348 -0.173 1.00 0.36 C ATOM 516 C GLY A 35 11.222 -14.278 -0.342 1.00 0.33 C ATOM 517 O GLY A 35 10.551 -13.940 0.610 1.00 0.45 O ATOM 0 H GLY A 35 14.045 -14.108 -0.220 1.00 0.38 H new ATOM 0 HA2 GLY A 35 12.004 -16.265 -0.678 1.00 0.36 H new ATOM 0 HA3 GLY A 35 12.426 -15.590 0.883 1.00 0.36 H new ATOM 521 N PRO A 36 11.062 -13.787 -1.549 1.00 0.31 N ATOM 522 CA PRO A 36 10.017 -12.767 -1.801 1.00 0.38 C ATOM 523 C PRO A 36 8.637 -13.420 -1.744 1.00 0.35 C ATOM 524 O PRO A 36 8.483 -14.591 -2.029 1.00 0.45 O ATOM 525 CB PRO A 36 10.336 -12.254 -3.203 1.00 0.51 C ATOM 526 CG PRO A 36 11.086 -13.367 -3.860 1.00 0.54 C ATOM 527 CD PRO A 36 11.813 -14.116 -2.768 1.00 0.41 C ATOM 0 HA PRO A 36 10.006 -11.962 -1.067 1.00 0.38 H new ATOM 0 HB2 PRO A 36 9.426 -12.013 -3.752 1.00 0.51 H new ATOM 0 HB3 PRO A 36 10.934 -11.344 -3.164 1.00 0.51 H new ATOM 0 HG2 PRO A 36 10.404 -14.029 -4.393 1.00 0.54 H new ATOM 0 HG3 PRO A 36 11.790 -12.976 -4.594 1.00 0.54 H new ATOM 0 HD2 PRO A 36 11.818 -15.190 -2.956 1.00 0.41 H new ATOM 0 HD3 PRO A 36 12.854 -13.801 -2.693 1.00 0.41 H new ATOM 535 N VAL A 37 7.633 -12.682 -1.367 1.00 0.30 N ATOM 536 CA VAL A 37 6.271 -13.275 -1.278 1.00 0.32 C ATOM 537 C VAL A 37 5.231 -12.313 -1.844 1.00 0.28 C ATOM 538 O VAL A 37 5.472 -11.133 -1.998 1.00 0.28 O ATOM 539 CB VAL A 37 6.059 -13.512 0.215 1.00 0.40 C ATOM 540 CG1 VAL A 37 4.592 -13.838 0.491 1.00 0.51 C ATOM 541 CG2 VAL A 37 6.938 -14.681 0.667 1.00 0.53 C ATOM 0 H VAL A 37 7.696 -11.695 -1.117 1.00 0.30 H new ATOM 0 HA VAL A 37 6.171 -14.195 -1.854 1.00 0.32 H new ATOM 0 HB VAL A 37 6.330 -12.611 0.766 1.00 0.40 H new ATOM 0 HG11 VAL A 37 4.451 -14.005 1.559 1.00 0.51 H new ATOM 0 HG12 VAL A 37 3.967 -13.005 0.169 1.00 0.51 H new ATOM 0 HG13 VAL A 37 4.310 -14.737 -0.057 1.00 0.51 H new ATOM 0 HG21 VAL A 37 6.791 -14.856 1.733 1.00 0.53 H new ATOM 0 HG22 VAL A 37 6.665 -15.578 0.111 1.00 0.53 H new ATOM 0 HG23 VAL A 37 7.985 -14.443 0.479 1.00 0.53 H new ATOM 551 N ILE A 38 4.088 -12.827 -2.187 1.00 0.31 N ATOM 552 CA ILE A 38 3.028 -11.978 -2.782 1.00 0.29 C ATOM 553 C ILE A 38 1.659 -12.647 -2.578 1.00 0.28 C ATOM 554 O ILE A 38 1.375 -13.686 -3.139 1.00 0.36 O ATOM 555 CB ILE A 38 3.445 -11.922 -4.257 1.00 0.37 C ATOM 556 CG1 ILE A 38 4.120 -10.575 -4.546 1.00 0.46 C ATOM 557 CG2 ILE A 38 2.238 -12.101 -5.186 1.00 0.41 C ATOM 558 CD1 ILE A 38 3.165 -9.437 -4.178 1.00 0.56 C ATOM 0 H ILE A 38 3.841 -13.811 -2.079 1.00 0.31 H new ATOM 0 HA ILE A 38 2.930 -10.984 -2.345 1.00 0.29 H new ATOM 0 HB ILE A 38 4.142 -12.738 -4.446 1.00 0.37 H new ATOM 0 HG12 ILE A 38 5.044 -10.489 -3.974 1.00 0.46 H new ATOM 0 HG13 ILE A 38 4.391 -10.510 -5.600 1.00 0.46 H new ATOM 0 HG21 ILE A 38 2.568 -12.056 -6.224 1.00 0.41 H new ATOM 0 HG22 ILE A 38 1.772 -13.068 -4.995 1.00 0.41 H new ATOM 0 HG23 ILE A 38 1.515 -11.307 -5.001 1.00 0.41 H new ATOM 0 HD11 ILE A 38 3.644 -8.480 -4.383 1.00 0.56 H new ATOM 0 HD12 ILE A 38 2.254 -9.521 -4.770 1.00 0.56 H new ATOM 0 HD13 ILE A 38 2.916 -9.499 -3.119 1.00 0.56 H new ATOM 570 N GLU A 39 0.818 -12.064 -1.765 1.00 0.25 N ATOM 571 CA GLU A 39 -0.522 -12.673 -1.511 1.00 0.25 C ATOM 572 C GLU A 39 -1.635 -11.658 -1.768 1.00 0.34 C ATOM 573 O GLU A 39 -1.620 -10.562 -1.245 1.00 0.54 O ATOM 574 CB GLU A 39 -0.493 -13.063 -0.032 1.00 0.33 C ATOM 575 CG GLU A 39 -1.782 -13.803 0.332 1.00 0.46 C ATOM 576 CD GLU A 39 -1.749 -15.214 -0.256 1.00 0.43 C ATOM 577 OE1 GLU A 39 -1.772 -15.330 -1.471 1.00 0.49 O ATOM 578 OE2 GLU A 39 -1.705 -16.156 0.518 1.00 0.53 O ATOM 0 H GLU A 39 1.000 -11.193 -1.266 1.00 0.25 H new ATOM 0 HA GLU A 39 -0.717 -13.523 -2.165 1.00 0.25 H new ATOM 0 HB2 GLU A 39 0.371 -13.696 0.170 1.00 0.33 H new ATOM 0 HB3 GLU A 39 -0.387 -12.172 0.587 1.00 0.33 H new ATOM 0 HG2 GLU A 39 -1.891 -13.852 1.415 1.00 0.46 H new ATOM 0 HG3 GLU A 39 -2.646 -13.259 -0.051 1.00 0.46 H new ATOM 585 N GLN A 40 -2.609 -12.018 -2.557 1.00 0.38 N ATOM 586 CA GLN A 40 -3.730 -11.077 -2.831 1.00 0.55 C ATOM 587 C GLN A 40 -5.051 -11.713 -2.395 1.00 0.43 C ATOM 588 O GLN A 40 -5.384 -12.806 -2.806 1.00 0.46 O ATOM 589 CB GLN A 40 -3.713 -10.864 -4.346 1.00 0.82 C ATOM 590 CG GLN A 40 -4.673 -9.731 -4.711 1.00 0.92 C ATOM 591 CD GLN A 40 -4.115 -8.407 -4.193 1.00 1.05 C ATOM 592 OE1 GLN A 40 -4.140 -8.144 -3.008 1.00 1.21 O ATOM 593 NE2 GLN A 40 -3.606 -7.555 -5.040 1.00 1.17 N ATOM 0 H GLN A 40 -2.677 -12.923 -3.023 1.00 0.38 H new ATOM 0 HA GLN A 40 -3.627 -10.136 -2.291 1.00 0.55 H new ATOM 0 HB2 GLN A 40 -2.704 -10.622 -4.679 1.00 0.82 H new ATOM 0 HB3 GLN A 40 -4.005 -11.782 -4.857 1.00 0.82 H new ATOM 0 HG2 GLN A 40 -4.804 -9.685 -5.792 1.00 0.92 H new ATOM 0 HG3 GLN A 40 -5.656 -9.918 -4.278 1.00 0.92 H new ATOM 0 HE21 GLN A 40 -3.585 -7.776 -6.036 1.00 1.17 H new ATOM 0 HE22 GLN A 40 -3.229 -6.668 -4.707 1.00 1.17 H new ATOM 602 N GLY A 41 -5.807 -11.047 -1.567 1.00 0.47 N ATOM 603 CA GLY A 41 -7.097 -11.642 -1.119 1.00 0.35 C ATOM 604 C GLY A 41 -7.902 -10.620 -0.321 1.00 0.31 C ATOM 605 O GLY A 41 -7.757 -9.424 -0.484 1.00 0.42 O ATOM 0 H GLY A 41 -5.591 -10.126 -1.185 1.00 0.47 H new ATOM 0 HA2 GLY A 41 -7.672 -11.973 -1.983 1.00 0.35 H new ATOM 0 HA3 GLY A 41 -6.906 -12.523 -0.506 1.00 0.35 H new ATOM 609 N CYS A 42 -8.759 -11.092 0.536 1.00 0.25 N ATOM 610 CA CYS A 42 -9.597 -10.172 1.350 1.00 0.30 C ATOM 611 C CYS A 42 -9.774 -10.737 2.761 1.00 0.35 C ATOM 612 O CYS A 42 -10.129 -11.886 2.937 1.00 0.41 O ATOM 613 CB CYS A 42 -10.934 -10.134 0.617 1.00 0.34 C ATOM 614 SG CYS A 42 -12.134 -9.190 1.584 1.00 0.38 S ATOM 0 H CYS A 42 -8.917 -12.085 0.709 1.00 0.25 H new ATOM 0 HA CYS A 42 -9.156 -9.181 1.459 1.00 0.30 H new ATOM 0 HB2 CYS A 42 -10.808 -9.680 -0.366 1.00 0.34 H new ATOM 0 HB3 CYS A 42 -11.300 -11.148 0.456 1.00 0.34 H new ATOM 619 N VAL A 43 -9.532 -9.947 3.769 1.00 0.39 N ATOM 620 CA VAL A 43 -9.690 -10.455 5.160 1.00 0.45 C ATOM 621 C VAL A 43 -10.523 -9.474 5.996 1.00 0.47 C ATOM 622 O VAL A 43 -11.738 -9.506 5.980 1.00 0.59 O ATOM 623 CB VAL A 43 -8.268 -10.551 5.714 1.00 0.48 C ATOM 624 CG1 VAL A 43 -8.332 -10.983 7.180 1.00 0.61 C ATOM 625 CG2 VAL A 43 -7.467 -11.578 4.914 1.00 0.50 C ATOM 0 H VAL A 43 -9.233 -8.975 3.691 1.00 0.39 H new ATOM 0 HA VAL A 43 -10.206 -11.415 5.188 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.780 -9.580 5.635 1.00 0.48 H new ATOM 0 HG11 VAL A 43 -7.322 -11.054 7.583 1.00 0.61 H new ATOM 0 HG12 VAL A 43 -8.900 -10.249 7.751 1.00 0.61 H new ATOM 0 HG13 VAL A 43 -8.820 -11.955 7.252 1.00 0.61 H new ATOM 0 HG21 VAL A 43 -6.455 -11.642 5.314 1.00 0.50 H new ATOM 0 HG22 VAL A 43 -7.948 -12.553 4.989 1.00 0.50 H new ATOM 0 HG23 VAL A 43 -7.426 -11.273 3.868 1.00 0.50 H new ATOM 635 N ALA A 44 -9.876 -8.606 6.729 1.00 0.39 N ATOM 636 CA ALA A 44 -10.617 -7.629 7.568 1.00 0.42 C ATOM 637 C ALA A 44 -9.627 -6.763 8.353 1.00 0.39 C ATOM 638 O ALA A 44 -9.815 -5.572 8.506 1.00 0.39 O ATOM 639 CB ALA A 44 -11.471 -8.478 8.511 1.00 0.52 C ATOM 0 H ALA A 44 -8.860 -8.535 6.780 1.00 0.39 H new ATOM 0 HA ALA A 44 -11.232 -6.951 6.977 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -12.050 -7.825 9.165 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -12.149 -9.100 7.927 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -10.824 -9.114 9.114 1.00 0.52 H new ATOM 645 N THR A 45 -8.566 -7.351 8.841 1.00 0.40 N ATOM 646 CA THR A 45 -7.554 -6.555 9.603 1.00 0.39 C ATOM 647 C THR A 45 -6.173 -6.703 8.959 1.00 0.34 C ATOM 648 O THR A 45 -5.648 -7.792 8.832 1.00 0.43 O ATOM 649 CB THR A 45 -7.541 -7.145 11.013 1.00 0.48 C ATOM 650 OG1 THR A 45 -8.861 -7.141 11.541 1.00 0.51 O ATOM 651 CG2 THR A 45 -6.628 -6.307 11.912 1.00 0.53 C ATOM 0 H THR A 45 -8.355 -8.345 8.746 1.00 0.40 H new ATOM 0 HA THR A 45 -7.799 -5.493 9.611 1.00 0.39 H new ATOM 0 HB THR A 45 -7.169 -8.169 10.974 1.00 0.48 H new ATOM 0 HG1 THR A 45 -8.853 -7.521 12.444 1.00 0.51 H new ATOM 0 HG21 THR A 45 -6.620 -6.729 12.917 1.00 0.53 H new ATOM 0 HG22 THR A 45 -5.616 -6.312 11.508 1.00 0.53 H new ATOM 0 HG23 THR A 45 -6.998 -5.282 11.952 1.00 0.53 H new ATOM 659 N CYS A 46 -5.578 -5.615 8.560 1.00 0.30 N ATOM 660 CA CYS A 46 -4.228 -5.686 7.930 1.00 0.27 C ATOM 661 C CYS A 46 -3.140 -5.666 9.006 1.00 0.34 C ATOM 662 O CYS A 46 -3.403 -5.342 10.148 1.00 0.50 O ATOM 663 CB CYS A 46 -4.149 -4.454 7.035 1.00 0.32 C ATOM 664 SG CYS A 46 -5.277 -4.680 5.640 1.00 0.35 S ATOM 0 H CYS A 46 -5.968 -4.676 8.643 1.00 0.30 H new ATOM 0 HA CYS A 46 -4.078 -6.604 7.361 1.00 0.27 H new ATOM 0 HB2 CYS A 46 -4.418 -3.560 7.598 1.00 0.32 H new ATOM 0 HB3 CYS A 46 -3.129 -4.311 6.677 1.00 0.32 H new ATOM 669 N PRO A 47 -1.952 -6.032 8.609 1.00 0.30 N ATOM 670 CA PRO A 47 -0.817 -6.076 9.559 1.00 0.35 C ATOM 671 C PRO A 47 -0.369 -4.662 9.936 1.00 0.40 C ATOM 672 O PRO A 47 -0.485 -3.736 9.161 1.00 0.43 O ATOM 673 CB PRO A 47 0.271 -6.819 8.789 1.00 0.40 C ATOM 674 CG PRO A 47 -0.057 -6.612 7.345 1.00 0.49 C ATOM 675 CD PRO A 47 -1.553 -6.422 7.251 1.00 0.39 C ATOM 0 HA PRO A 47 -1.067 -6.564 10.501 1.00 0.35 H new ATOM 0 HB2 PRO A 47 1.260 -6.427 9.028 1.00 0.40 H new ATOM 0 HB3 PRO A 47 0.278 -7.879 9.043 1.00 0.40 H new ATOM 0 HG2 PRO A 47 0.467 -5.741 6.952 1.00 0.49 H new ATOM 0 HG3 PRO A 47 0.260 -7.469 6.751 1.00 0.49 H new ATOM 0 HD2 PRO A 47 -1.812 -5.653 6.523 1.00 0.39 H new ATOM 0 HD3 PRO A 47 -2.052 -7.339 6.937 1.00 0.39 H new ATOM 683 N GLN A 48 0.131 -4.497 11.130 1.00 0.43 N ATOM 684 CA GLN A 48 0.581 -3.170 11.586 1.00 0.51 C ATOM 685 C GLN A 48 1.775 -2.701 10.759 1.00 0.51 C ATOM 686 O GLN A 48 2.864 -2.545 11.270 1.00 0.57 O ATOM 687 CB GLN A 48 0.976 -3.366 13.049 1.00 0.65 C ATOM 688 CG GLN A 48 -0.276 -3.672 13.872 1.00 0.68 C ATOM 689 CD GLN A 48 -0.032 -3.294 15.334 1.00 0.68 C ATOM 690 OE1 GLN A 48 -0.546 -2.301 15.810 1.00 0.92 O ATOM 691 NE2 GLN A 48 0.734 -4.048 16.072 1.00 0.73 N ATOM 0 H GLN A 48 0.245 -5.245 11.814 1.00 0.43 H new ATOM 0 HA GLN A 48 -0.193 -2.411 11.474 1.00 0.51 H new ATOM 0 HB2 GLN A 48 1.693 -4.182 13.138 1.00 0.65 H new ATOM 0 HB3 GLN A 48 1.465 -2.469 13.429 1.00 0.65 H new ATOM 0 HG2 GLN A 48 -1.127 -3.116 13.479 1.00 0.68 H new ATOM 0 HG3 GLN A 48 -0.524 -4.731 13.796 1.00 0.68 H new ATOM 0 HE21 GLN A 48 1.166 -4.882 15.673 1.00 0.73 H new ATOM 0 HE22 GLN A 48 0.901 -3.804 17.048 1.00 0.73 H new ATOM 700 N PHE A 49 1.549 -2.492 9.487 1.00 0.46 N ATOM 701 CA PHE A 49 2.626 -2.028 8.538 1.00 0.51 C ATOM 702 C PHE A 49 3.903 -1.614 9.280 1.00 0.57 C ATOM 703 O PHE A 49 3.876 -0.769 10.154 1.00 0.65 O ATOM 704 CB PHE A 49 2.035 -0.801 7.837 1.00 0.57 C ATOM 705 CG PHE A 49 1.044 -1.217 6.771 1.00 0.45 C ATOM 706 CD1 PHE A 49 -0.251 -1.613 7.127 1.00 0.39 C ATOM 707 CD2 PHE A 49 1.420 -1.188 5.422 1.00 0.47 C ATOM 708 CE1 PHE A 49 -1.168 -1.977 6.134 1.00 0.34 C ATOM 709 CE2 PHE A 49 0.503 -1.555 4.429 1.00 0.43 C ATOM 710 CZ PHE A 49 -0.791 -1.948 4.785 1.00 0.34 C ATOM 0 H PHE A 49 0.638 -2.626 9.048 1.00 0.46 H new ATOM 0 HA PHE A 49 2.906 -2.827 7.852 1.00 0.51 H new ATOM 0 HB2 PHE A 49 1.542 -0.161 8.569 1.00 0.57 H new ATOM 0 HB3 PHE A 49 2.835 -0.213 7.387 1.00 0.57 H new ATOM 0 HD1 PHE A 49 -0.542 -1.638 8.167 1.00 0.39 H new ATOM 0 HD2 PHE A 49 2.419 -0.882 5.147 1.00 0.47 H new ATOM 0 HE1 PHE A 49 -2.168 -2.281 6.408 1.00 0.34 H new ATOM 0 HE2 PHE A 49 0.795 -1.535 3.389 1.00 0.43 H new ATOM 0 HZ PHE A 49 -1.500 -2.229 4.020 1.00 0.34 H new ATOM 720 N ARG A 50 5.017 -2.197 8.941 1.00 0.53 N ATOM 721 CA ARG A 50 6.286 -1.828 9.631 1.00 0.59 C ATOM 722 C ARG A 50 7.491 -2.340 8.849 1.00 0.52 C ATOM 723 O ARG A 50 7.357 -2.953 7.807 1.00 0.52 O ATOM 724 CB ARG A 50 6.203 -2.512 10.998 1.00 0.60 C ATOM 725 CG ARG A 50 6.136 -4.028 10.810 1.00 0.50 C ATOM 726 CD ARG A 50 6.649 -4.719 12.074 1.00 0.61 C ATOM 727 NE ARG A 50 5.967 -6.042 12.094 1.00 0.62 N ATOM 728 CZ ARG A 50 6.186 -6.876 13.074 1.00 0.71 C ATOM 729 NH1 ARG A 50 7.316 -6.833 13.727 1.00 1.01 N ATOM 730 NH2 ARG A 50 5.278 -7.755 13.398 1.00 0.87 N ATOM 0 H ARG A 50 5.106 -2.911 8.218 1.00 0.53 H new ATOM 0 HA ARG A 50 6.407 -0.748 9.718 1.00 0.59 H new ATOM 0 HB2 ARG A 50 7.072 -2.248 11.601 1.00 0.60 H new ATOM 0 HB3 ARG A 50 5.323 -2.163 11.538 1.00 0.60 H new ATOM 0 HG2 ARG A 50 5.111 -4.335 10.605 1.00 0.50 H new ATOM 0 HG3 ARG A 50 6.736 -4.326 9.950 1.00 0.50 H new ATOM 0 HD2 ARG A 50 7.733 -4.834 12.049 1.00 0.61 H new ATOM 0 HD3 ARG A 50 6.411 -4.139 12.965 1.00 0.61 H new ATOM 0 HE ARG A 50 5.328 -6.297 11.341 1.00 0.62 H new ATOM 0 HH11 ARG A 50 8.027 -6.148 13.471 1.00 1.01 H new ATOM 0 HH12 ARG A 50 7.488 -7.484 14.493 1.00 1.01 H new ATOM 0 HH21 ARG A 50 4.397 -7.791 12.885 1.00 0.87 H new ATOM 0 HH22 ARG A 50 5.449 -8.407 14.164 1.00 0.87 H new ATOM 744 N SER A 51 8.670 -2.087 9.343 1.00 0.53 N ATOM 745 CA SER A 51 9.899 -2.548 8.633 1.00 0.54 C ATOM 746 C SER A 51 10.120 -4.053 8.823 1.00 0.47 C ATOM 747 O SER A 51 11.214 -4.491 9.116 1.00 0.55 O ATOM 748 CB SER A 51 11.040 -1.755 9.266 1.00 0.65 C ATOM 749 OG SER A 51 10.671 -0.384 9.342 1.00 0.75 O ATOM 0 H SER A 51 8.838 -1.579 10.211 1.00 0.53 H new ATOM 0 HA SER A 51 9.827 -2.385 7.558 1.00 0.54 H new ATOM 0 HB2 SER A 51 11.258 -2.141 10.262 1.00 0.65 H new ATOM 0 HB3 SER A 51 11.949 -1.867 8.674 1.00 0.65 H new ATOM 0 HG SER A 51 11.400 0.129 9.749 1.00 0.75 H new ATOM 755 N ASN A 52 9.101 -4.853 8.651 1.00 0.41 N ATOM 756 CA ASN A 52 9.283 -6.325 8.814 1.00 0.45 C ATOM 757 C ASN A 52 8.718 -7.076 7.600 1.00 0.41 C ATOM 758 O ASN A 52 8.931 -8.262 7.441 1.00 0.48 O ATOM 759 CB ASN A 52 8.513 -6.689 10.083 1.00 0.53 C ATOM 760 CG ASN A 52 8.461 -8.211 10.221 1.00 0.71 C ATOM 761 OD1 ASN A 52 7.425 -8.772 10.514 1.00 0.88 O ATOM 762 ND2 ASN A 52 9.545 -8.908 10.016 1.00 0.83 N ATOM 0 H ASN A 52 8.157 -4.554 8.406 1.00 0.41 H new ATOM 0 HA ASN A 52 10.335 -6.599 8.888 1.00 0.45 H new ATOM 0 HB2 ASN A 52 8.997 -6.249 10.955 1.00 0.53 H new ATOM 0 HB3 ASN A 52 7.503 -6.281 10.039 1.00 0.53 H new ATOM 0 HD21 ASN A 52 9.522 -9.924 10.102 1.00 0.83 H new ATOM 0 HD22 ASN A 52 10.415 -8.437 9.770 1.00 0.83 H new ATOM 769 N TYR A 53 8.007 -6.397 6.737 1.00 0.39 N ATOM 770 CA TYR A 53 7.443 -7.077 5.533 1.00 0.37 C ATOM 771 C TYR A 53 8.204 -6.628 4.280 1.00 0.37 C ATOM 772 O TYR A 53 9.295 -6.101 4.363 1.00 0.47 O ATOM 773 CB TYR A 53 5.979 -6.635 5.458 1.00 0.37 C ATOM 774 CG TYR A 53 5.253 -7.022 6.728 1.00 0.33 C ATOM 775 CD1 TYR A 53 4.858 -8.350 6.934 1.00 0.36 C ATOM 776 CD2 TYR A 53 4.964 -6.049 7.692 1.00 0.38 C ATOM 777 CE1 TYR A 53 4.176 -8.704 8.104 1.00 0.39 C ATOM 778 CE2 TYR A 53 4.280 -6.402 8.861 1.00 0.41 C ATOM 779 CZ TYR A 53 3.885 -7.729 9.069 1.00 0.41 C ATOM 780 OH TYR A 53 3.211 -8.079 10.221 1.00 0.49 O ATOM 0 H TYR A 53 7.793 -5.403 6.814 1.00 0.39 H new ATOM 0 HA TYR A 53 7.529 -8.162 5.596 1.00 0.37 H new ATOM 0 HB2 TYR A 53 5.924 -5.556 5.313 1.00 0.37 H new ATOM 0 HB3 TYR A 53 5.495 -7.098 4.598 1.00 0.37 H new ATOM 0 HD1 TYR A 53 5.080 -9.101 6.190 1.00 0.36 H new ATOM 0 HD2 TYR A 53 5.269 -5.025 7.534 1.00 0.38 H new ATOM 0 HE1 TYR A 53 3.874 -9.728 8.264 1.00 0.39 H new ATOM 0 HE2 TYR A 53 4.057 -5.650 9.603 1.00 0.41 H new ATOM 0 HH TYR A 53 3.091 -7.286 10.784 1.00 0.49 H new ATOM 790 N ARG A 54 7.642 -6.836 3.121 1.00 0.31 N ATOM 791 CA ARG A 54 8.337 -6.420 1.867 1.00 0.31 C ATOM 792 C ARG A 54 7.490 -5.404 1.105 1.00 0.28 C ATOM 793 O ARG A 54 7.952 -4.757 0.186 1.00 0.26 O ATOM 794 CB ARG A 54 8.488 -7.706 1.057 1.00 0.34 C ATOM 795 CG ARG A 54 9.539 -8.600 1.714 1.00 0.41 C ATOM 796 CD ARG A 54 10.933 -8.148 1.278 1.00 0.47 C ATOM 797 NE ARG A 54 11.219 -8.942 0.051 1.00 0.45 N ATOM 798 CZ ARG A 54 12.359 -9.563 -0.070 1.00 0.44 C ATOM 799 NH1 ARG A 54 13.416 -8.912 -0.470 1.00 0.49 N ATOM 800 NH2 ARG A 54 12.443 -10.835 0.212 1.00 0.45 N ATOM 0 H ARG A 54 6.732 -7.276 2.987 1.00 0.31 H new ATOM 0 HA ARG A 54 9.298 -5.945 2.065 1.00 0.31 H new ATOM 0 HB2 ARG A 54 7.533 -8.229 1.002 1.00 0.34 H new ATOM 0 HB3 ARG A 54 8.782 -7.472 0.034 1.00 0.34 H new ATOM 0 HG2 ARG A 54 9.450 -8.548 2.799 1.00 0.41 H new ATOM 0 HG3 ARG A 54 9.376 -9.640 1.431 1.00 0.41 H new ATOM 0 HD2 ARG A 54 10.956 -7.078 1.072 1.00 0.47 H new ATOM 0 HD3 ARG A 54 11.673 -8.339 2.055 1.00 0.47 H new ATOM 0 HE ARG A 54 10.524 -9.000 -0.694 1.00 0.45 H new ATOM 0 HH11 ARG A 54 13.350 -7.918 -0.688 1.00 0.49 H new ATOM 0 HH12 ARG A 54 14.308 -9.397 -0.565 1.00 0.49 H new ATOM 0 HH21 ARG A 54 11.617 -11.343 0.527 1.00 0.45 H new ATOM 0 HH22 ARG A 54 13.335 -11.321 0.117 1.00 0.45 H new ATOM 814 N SER A 55 6.248 -5.268 1.484 1.00 0.32 N ATOM 815 CA SER A 55 5.338 -4.298 0.801 1.00 0.33 C ATOM 816 C SER A 55 3.890 -4.639 1.135 1.00 0.32 C ATOM 817 O SER A 55 3.486 -5.783 1.073 1.00 0.33 O ATOM 818 CB SER A 55 5.580 -4.475 -0.697 1.00 0.35 C ATOM 819 OG SER A 55 4.418 -4.067 -1.408 1.00 0.36 O ATOM 0 H SER A 55 5.819 -5.793 2.246 1.00 0.32 H new ATOM 0 HA SER A 55 5.528 -3.272 1.117 1.00 0.33 H new ATOM 0 HB2 SER A 55 6.440 -3.884 -1.011 1.00 0.35 H new ATOM 0 HB3 SER A 55 5.811 -5.517 -0.920 1.00 0.35 H new ATOM 0 HG SER A 55 4.569 -3.182 -1.802 1.00 0.36 H new ATOM 825 N LEU A 56 3.101 -3.667 1.486 1.00 0.35 N ATOM 826 CA LEU A 56 1.684 -3.967 1.819 1.00 0.38 C ATOM 827 C LEU A 56 0.751 -2.940 1.171 1.00 0.41 C ATOM 828 O LEU A 56 1.102 -1.792 0.985 1.00 0.51 O ATOM 829 CB LEU A 56 1.623 -3.885 3.342 1.00 0.43 C ATOM 830 CG LEU A 56 2.193 -5.179 3.923 1.00 0.39 C ATOM 831 CD1 LEU A 56 2.632 -4.954 5.368 1.00 0.44 C ATOM 832 CD2 LEU A 56 1.111 -6.255 3.883 1.00 0.51 C ATOM 0 H LEU A 56 3.372 -2.686 1.557 1.00 0.35 H new ATOM 0 HA LEU A 56 1.364 -4.941 1.450 1.00 0.38 H new ATOM 0 HB2 LEU A 56 2.193 -3.027 3.698 1.00 0.43 H new ATOM 0 HB3 LEU A 56 0.594 -3.743 3.672 1.00 0.43 H new ATOM 0 HG LEU A 56 3.056 -5.493 3.336 1.00 0.39 H new ATOM 0 HD11 LEU A 56 3.037 -5.881 5.774 1.00 0.44 H new ATOM 0 HD12 LEU A 56 3.398 -4.179 5.399 1.00 0.44 H new ATOM 0 HD13 LEU A 56 1.775 -4.641 5.964 1.00 0.44 H new ATOM 0 HD21 LEU A 56 1.506 -7.184 4.295 1.00 0.51 H new ATOM 0 HD22 LEU A 56 0.254 -5.931 4.474 1.00 0.51 H new ATOM 0 HD23 LEU A 56 0.799 -6.419 2.852 1.00 0.51 H new ATOM 844 N LEU A 57 -0.437 -3.352 0.826 1.00 0.37 N ATOM 845 CA LEU A 57 -1.406 -2.414 0.191 1.00 0.38 C ATOM 846 C LEU A 57 -2.768 -2.566 0.860 1.00 0.36 C ATOM 847 O LEU A 57 -3.572 -3.392 0.477 1.00 0.39 O ATOM 848 CB LEU A 57 -1.477 -2.844 -1.273 1.00 0.43 C ATOM 849 CG LEU A 57 -0.199 -2.413 -1.991 1.00 0.48 C ATOM 850 CD1 LEU A 57 0.920 -3.410 -1.688 1.00 0.59 C ATOM 851 CD2 LEU A 57 -0.458 -2.374 -3.497 1.00 0.56 C ATOM 0 H LEU A 57 -0.781 -4.303 0.957 1.00 0.37 H new ATOM 0 HA LEU A 57 -1.107 -1.370 0.288 1.00 0.38 H new ATOM 0 HB2 LEU A 57 -1.598 -3.925 -1.340 1.00 0.43 H new ATOM 0 HB3 LEU A 57 -2.346 -2.395 -1.754 1.00 0.43 H new ATOM 0 HG LEU A 57 0.100 -1.423 -1.646 1.00 0.48 H new ATOM 0 HD11 LEU A 57 1.831 -3.101 -2.201 1.00 0.59 H new ATOM 0 HD12 LEU A 57 1.100 -3.439 -0.613 1.00 0.59 H new ATOM 0 HD13 LEU A 57 0.627 -4.401 -2.034 1.00 0.59 H new ATOM 0 HD21 LEU A 57 0.451 -2.067 -4.015 1.00 0.56 H new ATOM 0 HD22 LEU A 57 -0.754 -3.365 -3.841 1.00 0.56 H new ATOM 0 HD23 LEU A 57 -1.255 -1.662 -3.711 1.00 0.56 H new ATOM 863 N CYS A 58 -3.028 -1.791 1.870 1.00 0.34 N ATOM 864 CA CYS A 58 -4.329 -1.911 2.573 1.00 0.30 C ATOM 865 C CYS A 58 -4.934 -0.531 2.824 1.00 0.26 C ATOM 866 O CYS A 58 -4.231 0.435 3.057 1.00 0.30 O ATOM 867 CB CYS A 58 -3.979 -2.590 3.898 1.00 0.33 C ATOM 868 SG CYS A 58 -5.482 -2.831 4.869 1.00 0.40 S ATOM 0 H CYS A 58 -2.396 -1.080 2.239 1.00 0.34 H new ATOM 0 HA CYS A 58 -5.065 -2.471 1.996 1.00 0.30 H new ATOM 0 HB2 CYS A 58 -3.497 -3.550 3.711 1.00 0.33 H new ATOM 0 HB3 CYS A 58 -3.268 -1.980 4.455 1.00 0.33 H new ATOM 873 N CYS A 59 -6.233 -0.431 2.791 1.00 0.22 N ATOM 874 CA CYS A 59 -6.877 0.883 3.049 1.00 0.22 C ATOM 875 C CYS A 59 -7.842 0.756 4.231 1.00 0.27 C ATOM 876 O CYS A 59 -8.585 1.664 4.544 1.00 0.36 O ATOM 877 CB CYS A 59 -7.612 1.253 1.759 1.00 0.23 C ATOM 878 SG CYS A 59 -9.115 0.263 1.582 1.00 0.39 S ATOM 0 H CYS A 59 -6.874 -1.201 2.597 1.00 0.22 H new ATOM 0 HA CYS A 59 -6.155 1.657 3.310 1.00 0.22 H new ATOM 0 HB2 CYS A 59 -7.866 2.313 1.769 1.00 0.23 H new ATOM 0 HB3 CYS A 59 -6.959 1.090 0.902 1.00 0.23 H new ATOM 883 N THR A 60 -7.814 -0.372 4.898 1.00 0.28 N ATOM 884 CA THR A 60 -8.698 -0.581 6.079 1.00 0.36 C ATOM 885 C THR A 60 -10.148 -0.205 5.751 1.00 0.37 C ATOM 886 O THR A 60 -10.925 0.129 6.623 1.00 0.42 O ATOM 887 CB THR A 60 -8.112 0.335 7.156 1.00 0.43 C ATOM 888 OG1 THR A 60 -8.418 1.685 6.843 1.00 0.44 O ATOM 889 CG2 THR A 60 -6.592 0.153 7.212 1.00 0.53 C ATOM 0 H THR A 60 -7.210 -1.162 4.670 1.00 0.28 H new ATOM 0 HA THR A 60 -8.730 -1.622 6.399 1.00 0.36 H new ATOM 0 HB THR A 60 -8.542 0.080 8.125 1.00 0.43 H new ATOM 0 HG1 THR A 60 -8.773 1.737 5.931 1.00 0.44 H new ATOM 0 HG21 THR A 60 -6.175 0.806 7.979 1.00 0.53 H new ATOM 0 HG22 THR A 60 -6.358 -0.884 7.452 1.00 0.53 H new ATOM 0 HG23 THR A 60 -6.159 0.408 6.245 1.00 0.53 H new ATOM 897 N THR A 61 -10.516 -0.272 4.499 1.00 0.37 N ATOM 898 CA THR A 61 -11.915 0.066 4.104 1.00 0.42 C ATOM 899 C THR A 61 -12.290 -0.680 2.816 1.00 0.41 C ATOM 900 O THR A 61 -12.718 -1.815 2.850 1.00 0.44 O ATOM 901 CB THR A 61 -11.923 1.573 3.876 1.00 0.49 C ATOM 902 OG1 THR A 61 -10.636 1.996 3.447 1.00 0.51 O ATOM 903 CG2 THR A 61 -12.297 2.288 5.175 1.00 0.54 C ATOM 0 H THR A 61 -9.905 -0.547 3.730 1.00 0.37 H new ATOM 0 HA THR A 61 -12.639 -0.225 4.866 1.00 0.42 H new ATOM 0 HB THR A 61 -12.657 1.819 3.108 1.00 0.49 H new ATOM 0 HG1 THR A 61 -10.034 2.046 4.219 1.00 0.51 H new ATOM 0 HG21 THR A 61 -12.302 3.365 5.009 1.00 0.54 H new ATOM 0 HG22 THR A 61 -13.288 1.966 5.495 1.00 0.54 H new ATOM 0 HG23 THR A 61 -11.568 2.043 5.948 1.00 0.54 H new ATOM 911 N ASP A 62 -12.126 -0.054 1.678 1.00 0.42 N ATOM 912 CA ASP A 62 -12.468 -0.737 0.394 1.00 0.44 C ATOM 913 C ASP A 62 -11.647 -0.142 -0.750 1.00 0.44 C ATOM 914 O ASP A 62 -11.127 0.951 -0.646 1.00 0.51 O ATOM 915 CB ASP A 62 -13.951 -0.446 0.173 1.00 0.52 C ATOM 916 CG ASP A 62 -14.159 1.067 0.069 1.00 0.65 C ATOM 917 OD1 ASP A 62 -14.076 1.728 1.092 1.00 0.76 O ATOM 918 OD2 ASP A 62 -14.393 1.538 -1.031 1.00 0.77 O ATOM 0 H ASP A 62 -11.771 0.898 1.583 1.00 0.42 H new ATOM 0 HA ASP A 62 -12.257 -1.806 0.429 1.00 0.44 H new ATOM 0 HB2 ASP A 62 -14.298 -0.936 -0.737 1.00 0.52 H new ATOM 0 HB3 ASP A 62 -14.539 -0.850 0.997 1.00 0.52 H new ATOM 923 N ASN A 63 -11.534 -0.838 -1.850 1.00 0.42 N ATOM 924 CA ASN A 63 -10.758 -0.279 -2.984 1.00 0.41 C ATOM 925 C ASN A 63 -9.411 0.235 -2.476 1.00 0.37 C ATOM 926 O ASN A 63 -9.076 1.391 -2.639 1.00 0.47 O ATOM 927 CB ASN A 63 -11.617 0.873 -3.506 1.00 0.51 C ATOM 928 CG ASN A 63 -12.897 0.318 -4.135 1.00 0.55 C ATOM 929 OD1 ASN A 63 -13.967 0.861 -3.943 1.00 0.63 O ATOM 930 ND2 ASN A 63 -12.833 -0.749 -4.883 1.00 0.57 N ATOM 0 H ASN A 63 -11.942 -1.759 -2.008 1.00 0.42 H new ATOM 0 HA ASN A 63 -10.548 -1.013 -3.762 1.00 0.41 H new ATOM 0 HB2 ASN A 63 -11.866 1.552 -2.691 1.00 0.51 H new ATOM 0 HB3 ASN A 63 -11.059 1.451 -4.243 1.00 0.51 H new ATOM 0 HD21 ASN A 63 -13.681 -1.127 -5.306 1.00 0.57 H new ATOM 0 HD22 ASN A 63 -11.935 -1.205 -5.045 1.00 0.57 H new ATOM 937 N CYS A 64 -8.646 -0.608 -1.837 1.00 0.33 N ATOM 938 CA CYS A 64 -7.332 -0.158 -1.293 1.00 0.31 C ATOM 939 C CYS A 64 -6.245 -0.241 -2.373 1.00 0.33 C ATOM 940 O CYS A 64 -5.113 0.141 -2.152 1.00 0.39 O ATOM 941 CB CYS A 64 -7.008 -1.128 -0.148 1.00 0.32 C ATOM 942 SG CYS A 64 -8.499 -1.504 0.816 1.00 0.41 S ATOM 0 H CYS A 64 -8.873 -1.588 -1.668 1.00 0.33 H new ATOM 0 HA CYS A 64 -7.372 0.877 -0.955 1.00 0.31 H new ATOM 0 HB2 CYS A 64 -6.589 -2.049 -0.553 1.00 0.32 H new ATOM 0 HB3 CYS A 64 -6.250 -0.691 0.502 1.00 0.32 H new ATOM 947 N ASN A 65 -6.573 -0.745 -3.533 1.00 0.34 N ATOM 948 CA ASN A 65 -5.544 -0.858 -4.613 1.00 0.37 C ATOM 949 C ASN A 65 -5.609 0.337 -5.565 1.00 0.40 C ATOM 950 O ASN A 65 -6.665 0.867 -5.847 1.00 0.44 O ATOM 951 CB ASN A 65 -5.890 -2.143 -5.361 1.00 0.39 C ATOM 952 CG ASN A 65 -5.420 -3.344 -4.544 1.00 0.38 C ATOM 953 OD1 ASN A 65 -4.618 -4.130 -5.007 1.00 0.43 O ATOM 954 ND2 ASN A 65 -5.885 -3.518 -3.338 1.00 0.41 N ATOM 0 H ASN A 65 -7.503 -1.082 -3.781 1.00 0.34 H new ATOM 0 HA ASN A 65 -4.535 -0.874 -4.201 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -6.965 -2.201 -5.529 1.00 0.39 H new ATOM 0 HB3 ASN A 65 -5.413 -2.146 -6.341 1.00 0.39 H new ATOM 0 HD21 ASN A 65 -5.575 -4.315 -2.782 1.00 0.41 H new ATOM 0 HD22 ASN A 65 -6.558 -2.857 -2.951 1.00 0.41 H new ATOM 961 N HIS A 66 -4.482 0.751 -6.074 1.00 0.43 N ATOM 962 CA HIS A 66 -4.453 1.886 -7.015 1.00 0.48 C ATOM 963 C HIS A 66 -3.139 1.885 -7.804 1.00 0.52 C ATOM 964 O HIS A 66 -2.742 2.943 -8.261 1.00 0.60 O ATOM 965 CB HIS A 66 -4.569 3.136 -6.147 1.00 0.54 C ATOM 966 CG HIS A 66 -5.443 4.146 -6.836 1.00 0.56 C ATOM 967 ND1 HIS A 66 -6.753 3.868 -7.191 1.00 0.56 N ATOM 968 CD2 HIS A 66 -5.211 5.439 -7.240 1.00 0.67 C ATOM 969 CE1 HIS A 66 -7.255 4.967 -7.781 1.00 0.62 C ATOM 970 NE2 HIS A 66 -6.358 5.954 -7.837 1.00 0.69 N ATOM 971 OXT HIS A 66 -2.551 0.824 -7.934 1.00 0.60 O ATOM 0 H HIS A 66 -3.571 0.340 -5.870 1.00 0.43 H new ATOM 0 HA HIS A 66 -5.259 1.835 -7.747 1.00 0.48 H new ATOM 0 HB2 HIS A 66 -4.989 2.879 -5.175 1.00 0.54 H new ATOM 0 HB3 HIS A 66 -3.581 3.558 -5.965 1.00 0.54 H new ATOM 0 HD2 HIS A 66 -4.281 5.974 -7.114 1.00 0.67 H new ATOM 0 HE1 HIS A 66 -8.262 5.042 -8.163 1.00 0.62 H new ATOM 0 HE2 HIS A 66 -6.486 6.886 -8.232 1.00 0.69 H new ATOM 980 N ARG B 1 13.047 4.618 -13.479 1.00 0.84 N ATOM 981 CA ARG B 1 13.901 5.184 -12.395 1.00 0.70 C ATOM 982 C ARG B 1 13.041 5.620 -11.202 1.00 0.65 C ATOM 983 O ARG B 1 13.184 6.713 -10.690 1.00 0.74 O ATOM 984 CB ARG B 1 14.593 6.395 -13.025 1.00 0.61 C ATOM 985 CG ARG B 1 15.904 5.954 -13.682 1.00 0.69 C ATOM 986 CD ARG B 1 17.035 5.990 -12.653 1.00 0.61 C ATOM 987 NE ARG B 1 17.851 4.777 -12.946 1.00 0.70 N ATOM 988 CZ ARG B 1 17.800 3.749 -12.147 1.00 0.69 C ATOM 989 NH1 ARG B 1 17.987 3.912 -10.868 1.00 0.93 N ATOM 990 NH2 ARG B 1 17.554 2.559 -12.626 1.00 0.76 N ATOM 0 H1 ARG B 1 13.647 4.328 -14.278 1.00 0.84 H new ATOM 0 H2 ARG B 1 12.529 3.792 -13.117 1.00 0.84 H new ATOM 0 H3 ARG B 1 12.369 5.339 -13.799 1.00 0.84 H new ATOM 0 HA ARG B 1 14.616 4.453 -12.016 1.00 0.70 H new ATOM 0 HB2 ARG B 1 13.940 6.855 -13.767 1.00 0.61 H new ATOM 0 HB3 ARG B 1 14.792 7.150 -12.264 1.00 0.61 H new ATOM 0 HG2 ARG B 1 15.799 4.947 -14.086 1.00 0.69 H new ATOM 0 HG3 ARG B 1 16.141 6.610 -14.520 1.00 0.69 H new ATOM 0 HD2 ARG B 1 17.629 6.899 -12.748 1.00 0.61 H new ATOM 0 HD3 ARG B 1 16.645 5.969 -11.635 1.00 0.61 H new ATOM 0 HE ARG B 1 18.449 4.752 -13.772 1.00 0.70 H new ATOM 0 HH11 ARG B 1 18.173 4.843 -10.494 1.00 0.93 H new ATOM 0 HH12 ARG B 1 17.948 3.109 -10.240 1.00 0.93 H new ATOM 0 HH21 ARG B 1 17.402 2.434 -13.627 1.00 0.76 H new ATOM 0 HH22 ARG B 1 17.514 1.755 -11.999 1.00 0.76 H new ATOM 1006 N THR B 2 12.152 4.777 -10.751 1.00 0.57 N ATOM 1007 CA THR B 2 11.301 5.150 -9.591 1.00 0.56 C ATOM 1008 C THR B 2 11.050 3.939 -8.672 1.00 0.55 C ATOM 1009 O THR B 2 11.810 3.647 -7.784 1.00 0.58 O ATOM 1010 CB THR B 2 10.000 5.633 -10.215 1.00 0.60 C ATOM 1011 OG1 THR B 2 10.197 6.919 -10.786 1.00 0.64 O ATOM 1012 CG2 THR B 2 8.948 5.714 -9.127 1.00 0.58 C ATOM 0 H THR B 2 11.980 3.848 -11.136 1.00 0.57 H new ATOM 0 HA THR B 2 11.770 5.909 -8.965 1.00 0.56 H new ATOM 0 HB THR B 2 9.678 4.944 -10.996 1.00 0.60 H new ATOM 0 HG1 THR B 2 9.360 7.230 -11.189 1.00 0.64 H new ATOM 0 HG21 THR B 2 8.007 6.059 -9.556 1.00 0.58 H new ATOM 0 HG22 THR B 2 8.805 4.728 -8.685 1.00 0.58 H new ATOM 0 HG23 THR B 2 9.274 6.413 -8.357 1.00 0.58 H new ATOM 1020 N CYS B 3 9.983 3.237 -8.840 1.00 0.55 N ATOM 1021 CA CYS B 3 9.747 2.108 -7.908 1.00 0.54 C ATOM 1022 C CYS B 3 9.793 0.785 -8.668 1.00 0.52 C ATOM 1023 O CYS B 3 10.748 0.045 -8.555 1.00 0.55 O ATOM 1024 CB CYS B 3 8.360 2.387 -7.310 1.00 0.55 C ATOM 1025 SG CYS B 3 8.310 1.905 -5.552 1.00 0.48 S ATOM 0 H CYS B 3 9.276 3.384 -9.560 1.00 0.55 H new ATOM 0 HA CYS B 3 10.503 2.027 -7.127 1.00 0.54 H new ATOM 0 HB2 CYS B 3 8.122 3.446 -7.409 1.00 0.55 H new ATOM 0 HB3 CYS B 3 7.601 1.836 -7.865 1.00 0.55 H new ATOM 1129 N PRO B 11 14.456 0.547 -9.268 1.00 0.47 N ATOM 1130 CA PRO B 11 14.844 1.970 -9.469 1.00 0.52 C ATOM 1131 C PRO B 11 14.592 2.763 -8.168 1.00 0.54 C ATOM 1132 O PRO B 11 14.842 2.256 -7.094 1.00 0.57 O ATOM 1133 CB PRO B 11 13.936 2.421 -10.607 1.00 0.51 C ATOM 1134 CG PRO B 11 12.748 1.521 -10.520 1.00 0.45 C ATOM 1135 CD PRO B 11 13.278 0.191 -10.074 1.00 0.44 C ATOM 0 HA PRO B 11 15.897 2.121 -9.707 1.00 0.52 H new ATOM 0 HB2 PRO B 11 13.650 3.467 -10.495 1.00 0.51 H new ATOM 0 HB3 PRO B 11 14.434 2.328 -11.572 1.00 0.51 H new ATOM 0 HG2 PRO B 11 12.015 1.908 -9.812 1.00 0.45 H new ATOM 0 HG3 PRO B 11 12.247 1.439 -11.485 1.00 0.45 H new ATOM 0 HD2 PRO B 11 12.542 -0.359 -9.488 1.00 0.44 H new ATOM 0 HD3 PRO B 11 13.547 -0.439 -10.922 1.00 0.44 H new ATOM 1143 N GLN B 12 14.095 3.988 -8.221 1.00 0.54 N ATOM 1144 CA GLN B 12 13.855 4.734 -6.942 1.00 0.56 C ATOM 1145 C GLN B 12 12.894 5.912 -7.155 1.00 0.58 C ATOM 1146 O GLN B 12 13.307 6.973 -7.579 1.00 0.62 O ATOM 1147 CB GLN B 12 15.229 5.264 -6.519 1.00 0.59 C ATOM 1148 CG GLN B 12 15.947 4.248 -5.622 1.00 0.62 C ATOM 1149 CD GLN B 12 14.990 3.734 -4.545 1.00 0.60 C ATOM 1150 OE1 GLN B 12 15.042 2.579 -4.169 1.00 0.71 O ATOM 1151 NE2 GLN B 12 14.107 4.549 -4.033 1.00 0.59 N ATOM 0 H GLN B 12 13.852 4.489 -9.076 1.00 0.54 H new ATOM 0 HA GLN B 12 13.403 4.087 -6.191 1.00 0.56 H new ATOM 0 HB2 GLN B 12 15.834 5.468 -7.403 1.00 0.59 H new ATOM 0 HB3 GLN B 12 15.113 6.208 -5.987 1.00 0.59 H new ATOM 0 HG2 GLN B 12 16.313 3.415 -6.222 1.00 0.62 H new ATOM 0 HG3 GLN B 12 16.817 4.712 -5.156 1.00 0.62 H new ATOM 0 HE21 GLN B 12 14.064 5.518 -4.349 1.00 0.59 H new ATOM 0 HE22 GLN B 12 13.461 4.217 -3.317 1.00 0.59 H new ATOM 1160 N THR B 13 11.622 5.759 -6.845 1.00 0.55 N ATOM 1161 CA THR B 13 10.677 6.911 -7.014 1.00 0.55 C ATOM 1162 C THR B 13 11.337 8.148 -6.472 1.00 0.54 C ATOM 1163 O THR B 13 11.083 9.269 -6.861 1.00 0.55 O ATOM 1164 CB THR B 13 9.516 6.608 -6.078 1.00 0.54 C ATOM 1165 OG1 THR B 13 8.896 5.377 -6.410 1.00 0.54 O ATOM 1166 CG2 THR B 13 8.503 7.738 -6.163 1.00 0.64 C ATOM 0 H THR B 13 11.205 4.899 -6.488 1.00 0.55 H new ATOM 0 HA THR B 13 10.384 7.049 -8.055 1.00 0.55 H new ATOM 0 HB THR B 13 9.899 6.525 -5.061 1.00 0.54 H new ATOM 0 HG1 THR B 13 8.816 4.823 -5.605 1.00 0.54 H new ATOM 0 HG21 THR B 13 7.667 7.529 -5.495 1.00 0.64 H new ATOM 0 HG22 THR B 13 8.977 8.674 -5.869 1.00 0.64 H new ATOM 0 HG23 THR B 13 8.137 7.822 -7.186 1.00 0.64 H new ATOM 1174 N CYS B 14 12.136 7.901 -5.512 1.00 0.57 N ATOM 1175 CA CYS B 14 12.834 8.981 -4.784 1.00 0.56 C ATOM 1176 C CYS B 14 13.638 9.888 -5.730 1.00 0.76 C ATOM 1177 O CYS B 14 14.497 9.427 -6.455 1.00 1.18 O ATOM 1178 CB CYS B 14 13.759 8.249 -3.817 1.00 0.53 C ATOM 1179 SG CYS B 14 12.771 7.140 -2.781 1.00 0.51 S ATOM 0 H CYS B 14 12.351 6.961 -5.179 1.00 0.57 H new ATOM 0 HA CYS B 14 12.132 9.644 -4.278 1.00 0.56 H new ATOM 0 HB2 CYS B 14 14.508 7.681 -4.369 1.00 0.53 H new ATOM 0 HB3 CYS B 14 14.297 8.965 -3.196 1.00 0.53 H new ATOM 1184 N PRO B 15 13.328 11.160 -5.673 1.00 0.88 N ATOM 1185 CA PRO B 15 14.023 12.170 -6.519 1.00 1.01 C ATOM 1186 C PRO B 15 15.424 12.465 -5.970 1.00 0.64 C ATOM 1187 O PRO B 15 16.280 12.986 -6.658 1.00 0.85 O ATOM 1188 CB PRO B 15 13.138 13.406 -6.397 1.00 1.30 C ATOM 1189 CG PRO B 15 12.419 13.247 -5.095 1.00 1.45 C ATOM 1190 CD PRO B 15 12.301 11.770 -4.822 1.00 1.35 C ATOM 0 HA PRO B 15 14.159 11.838 -7.548 1.00 1.01 H new ATOM 0 HB2 PRO B 15 13.733 14.319 -6.409 1.00 1.30 H new ATOM 0 HB3 PRO B 15 12.437 13.472 -7.229 1.00 1.30 H new ATOM 0 HG2 PRO B 15 12.965 13.743 -4.292 1.00 1.45 H new ATOM 0 HG3 PRO B 15 11.433 13.708 -5.143 1.00 1.45 H new ATOM 0 HD2 PRO B 15 12.472 11.545 -3.769 1.00 1.35 H new ATOM 0 HD3 PRO B 15 11.307 11.398 -5.070 1.00 1.35 H new ATOM 1198 N ASN B 16 15.653 12.144 -4.730 1.00 0.35 N ATOM 1199 CA ASN B 16 16.983 12.404 -4.116 1.00 0.49 C ATOM 1200 C ASN B 16 17.412 11.181 -3.298 1.00 0.58 C ATOM 1201 O ASN B 16 17.145 10.054 -3.669 1.00 0.57 O ATOM 1202 CB ASN B 16 16.757 13.623 -3.217 1.00 0.78 C ATOM 1203 CG ASN B 16 18.081 14.364 -3.001 1.00 1.18 C ATOM 1204 OD1 ASN B 16 18.843 14.023 -2.118 1.00 1.36 O ATOM 1205 ND2 ASN B 16 18.382 15.374 -3.772 1.00 1.48 N ATOM 0 H ASN B 16 14.970 11.709 -4.110 1.00 0.35 H new ATOM 0 HA ASN B 16 17.770 12.587 -4.848 1.00 0.49 H new ATOM 0 HB2 ASN B 16 16.026 14.291 -3.673 1.00 0.78 H new ATOM 0 HB3 ASN B 16 16.346 13.307 -2.258 1.00 0.78 H new ATOM 0 HD21 ASN B 16 19.258 15.878 -3.634 1.00 1.48 H new ATOM 0 HD22 ASN B 16 17.741 15.659 -4.513 1.00 1.48 H new ATOM 1212 N GLY B 17 18.074 11.388 -2.193 1.00 0.83 N ATOM 1213 CA GLY B 17 18.512 10.228 -1.364 1.00 0.98 C ATOM 1214 C GLY B 17 17.286 9.425 -0.924 1.00 0.98 C ATOM 1215 O GLY B 17 16.274 9.411 -1.594 1.00 0.96 O ATOM 0 H GLY B 17 18.330 12.306 -1.829 1.00 0.83 H new ATOM 0 HA2 GLY B 17 19.190 9.594 -1.936 1.00 0.98 H new ATOM 0 HA3 GLY B 17 19.063 10.578 -0.491 1.00 0.98 H new ATOM 1219 N GLN B 18 17.372 8.754 0.196 1.00 1.10 N ATOM 1220 CA GLN B 18 16.212 7.943 0.677 1.00 1.17 C ATOM 1221 C GLN B 18 15.677 7.065 -0.456 1.00 1.01 C ATOM 1222 O GLN B 18 15.006 7.533 -1.345 1.00 1.05 O ATOM 1223 CB GLN B 18 15.153 8.957 1.112 1.00 1.52 C ATOM 1224 CG GLN B 18 15.197 9.127 2.633 1.00 1.64 C ATOM 1225 CD GLN B 18 14.874 10.577 2.996 1.00 2.04 C ATOM 1226 OE1 GLN B 18 13.843 10.855 3.574 1.00 2.28 O ATOM 1227 NE2 GLN B 18 15.720 11.519 2.679 1.00 2.19 N ATOM 0 H GLN B 18 18.195 8.732 0.798 1.00 1.10 H new ATOM 0 HA GLN B 18 16.492 7.279 1.495 1.00 1.17 H new ATOM 0 HB2 GLN B 18 15.331 9.915 0.624 1.00 1.52 H new ATOM 0 HB3 GLN B 18 14.164 8.620 0.802 1.00 1.52 H new ATOM 0 HG2 GLN B 18 14.480 8.455 3.105 1.00 1.64 H new ATOM 0 HG3 GLN B 18 16.183 8.858 3.011 1.00 1.64 H new ATOM 0 HE21 GLN B 18 16.586 11.285 2.193 1.00 2.19 H new ATOM 0 HE22 GLN B 18 15.515 12.490 2.917 1.00 2.19 H new ATOM 1236 N ASP B 19 15.975 5.796 -0.431 1.00 0.84 N ATOM 1237 CA ASP B 19 15.486 4.893 -1.516 1.00 0.68 C ATOM 1238 C ASP B 19 14.210 4.169 -1.078 1.00 0.58 C ATOM 1239 O ASP B 19 14.137 2.956 -1.111 1.00 0.68 O ATOM 1240 CB ASP B 19 16.617 3.886 -1.729 1.00 0.69 C ATOM 1241 CG ASP B 19 16.882 3.137 -0.423 1.00 0.83 C ATOM 1242 OD1 ASP B 19 16.571 3.682 0.624 1.00 0.97 O ATOM 1243 OD2 ASP B 19 17.391 2.029 -0.488 1.00 0.86 O ATOM 0 H ASP B 19 16.535 5.343 0.292 1.00 0.84 H new ATOM 0 HA ASP B 19 15.243 5.442 -2.426 1.00 0.68 H new ATOM 0 HB2 ASP B 19 16.349 3.182 -2.517 1.00 0.69 H new ATOM 0 HB3 ASP B 19 17.521 4.401 -2.056 1.00 0.69 H new ATOM 1248 N ILE B 20 13.208 4.890 -0.661 1.00 0.43 N ATOM 1249 CA ILE B 20 11.955 4.213 -0.217 1.00 0.34 C ATOM 1250 C ILE B 20 10.720 4.840 -0.888 1.00 0.29 C ATOM 1251 O ILE B 20 10.602 6.043 -0.998 1.00 0.49 O ATOM 1252 CB ILE B 20 11.937 4.416 1.299 1.00 0.28 C ATOM 1253 CG1 ILE B 20 10.860 3.517 1.926 1.00 0.36 C ATOM 1254 CG2 ILE B 20 11.664 5.888 1.629 1.00 0.29 C ATOM 1255 CD1 ILE B 20 9.488 4.200 1.878 1.00 0.34 C ATOM 0 H ILE B 20 13.200 5.909 -0.608 1.00 0.43 H new ATOM 0 HA ILE B 20 11.928 3.158 -0.490 1.00 0.34 H new ATOM 0 HB ILE B 20 12.909 4.144 1.711 1.00 0.28 H new ATOM 0 HG12 ILE B 20 10.817 2.567 1.394 1.00 0.36 H new ATOM 0 HG13 ILE B 20 11.124 3.292 2.959 1.00 0.36 H new ATOM 0 HG21 ILE B 20 11.653 6.022 2.711 1.00 0.29 H new ATOM 0 HG22 ILE B 20 12.447 6.510 1.194 1.00 0.29 H new ATOM 0 HG23 ILE B 20 10.698 6.180 1.217 1.00 0.29 H new ATOM 0 HD11 ILE B 20 8.740 3.546 2.327 1.00 0.34 H new ATOM 0 HD12 ILE B 20 9.529 5.138 2.431 1.00 0.34 H new ATOM 0 HD13 ILE B 20 9.218 4.402 0.841 1.00 0.34 H new ATOM 1267 N CYS B 21 9.798 4.024 -1.335 1.00 0.30 N ATOM 1268 CA CYS B 21 8.567 4.557 -2.001 1.00 0.28 C ATOM 1269 C CYS B 21 7.490 4.855 -0.953 1.00 0.27 C ATOM 1270 O CYS B 21 7.424 4.219 0.077 1.00 0.31 O ATOM 1271 CB CYS B 21 8.089 3.437 -2.938 1.00 0.35 C ATOM 1272 SG CYS B 21 9.008 3.491 -4.503 1.00 0.45 S ATOM 0 H CYS B 21 9.844 3.007 -1.267 1.00 0.30 H new ATOM 0 HA CYS B 21 8.767 5.483 -2.541 1.00 0.28 H new ATOM 0 HB2 CYS B 21 8.229 2.468 -2.459 1.00 0.35 H new ATOM 0 HB3 CYS B 21 7.022 3.546 -3.131 1.00 0.35 H new ATOM 1277 N PHE B 22 6.639 5.811 -1.210 1.00 0.32 N ATOM 1278 CA PHE B 22 5.575 6.131 -0.240 1.00 0.37 C ATOM 1279 C PHE B 22 4.358 6.741 -0.947 1.00 0.38 C ATOM 1280 O PHE B 22 4.458 7.727 -1.650 1.00 0.44 O ATOM 1281 CB PHE B 22 6.201 7.130 0.740 1.00 0.42 C ATOM 1282 CG PHE B 22 5.116 7.933 1.427 1.00 0.34 C ATOM 1283 CD1 PHE B 22 4.160 7.291 2.225 1.00 0.38 C ATOM 1284 CD2 PHE B 22 5.065 9.321 1.257 1.00 0.37 C ATOM 1285 CE1 PHE B 22 3.155 8.040 2.851 1.00 0.41 C ATOM 1286 CE2 PHE B 22 4.062 10.069 1.884 1.00 0.40 C ATOM 1287 CZ PHE B 22 3.107 9.428 2.681 1.00 0.40 C ATOM 0 H PHE B 22 6.642 6.381 -2.056 1.00 0.32 H new ATOM 0 HA PHE B 22 5.215 5.240 0.273 1.00 0.37 H new ATOM 0 HB2 PHE B 22 6.797 6.599 1.482 1.00 0.42 H new ATOM 0 HB3 PHE B 22 6.878 7.799 0.208 1.00 0.42 H new ATOM 0 HD1 PHE B 22 4.198 6.220 2.357 1.00 0.38 H new ATOM 0 HD2 PHE B 22 5.801 9.816 0.641 1.00 0.37 H new ATOM 0 HE1 PHE B 22 2.417 7.546 3.465 1.00 0.41 H new ATOM 0 HE2 PHE B 22 4.025 11.140 1.753 1.00 0.40 H new ATOM 0 HZ PHE B 22 2.333 10.005 3.165 1.00 0.40 H new ATOM 1297 N LEU B 23 3.207 6.164 -0.740 1.00 0.38 N ATOM 1298 CA LEU B 23 1.963 6.702 -1.363 1.00 0.40 C ATOM 1299 C LEU B 23 0.999 7.115 -0.252 1.00 0.40 C ATOM 1300 O LEU B 23 0.896 6.449 0.753 1.00 0.45 O ATOM 1301 CB LEU B 23 1.380 5.542 -2.177 1.00 0.43 C ATOM 1302 CG LEU B 23 0.136 6.016 -2.935 1.00 0.60 C ATOM 1303 CD1 LEU B 23 0.555 6.710 -4.231 1.00 0.69 C ATOM 1304 CD2 LEU B 23 -0.747 4.814 -3.273 1.00 0.73 C ATOM 0 H LEU B 23 3.073 5.335 -0.161 1.00 0.38 H new ATOM 0 HA LEU B 23 2.145 7.572 -1.993 1.00 0.40 H new ATOM 0 HB2 LEU B 23 2.125 5.168 -2.879 1.00 0.43 H new ATOM 0 HB3 LEU B 23 1.121 4.715 -1.516 1.00 0.43 H new ATOM 0 HG LEU B 23 -0.419 6.715 -2.309 1.00 0.60 H new ATOM 0 HD11 LEU B 23 -0.333 7.046 -4.767 1.00 0.69 H new ATOM 0 HD12 LEU B 23 1.184 7.569 -3.997 1.00 0.69 H new ATOM 0 HD13 LEU B 23 1.113 6.011 -4.854 1.00 0.69 H new ATOM 0 HD21 LEU B 23 -1.632 5.153 -3.812 1.00 0.73 H new ATOM 0 HD22 LEU B 23 -0.188 4.115 -3.895 1.00 0.73 H new ATOM 0 HD23 LEU B 23 -1.052 4.316 -2.352 1.00 0.73 H new ATOM 1316 N LYS B 24 0.304 8.205 -0.402 1.00 0.38 N ATOM 1317 CA LYS B 24 -0.631 8.619 0.680 1.00 0.37 C ATOM 1318 C LYS B 24 -2.018 8.927 0.116 1.00 0.33 C ATOM 1319 O LYS B 24 -2.207 9.876 -0.619 1.00 0.36 O ATOM 1320 CB LYS B 24 -0.005 9.874 1.286 1.00 0.35 C ATOM 1321 CG LYS B 24 -0.891 10.393 2.421 1.00 0.37 C ATOM 1322 CD LYS B 24 -0.764 9.476 3.639 1.00 0.40 C ATOM 1323 CE LYS B 24 -0.634 10.323 4.908 1.00 0.41 C ATOM 1324 NZ LYS B 24 -1.778 11.276 4.852 1.00 0.44 N ATOM 0 H LYS B 24 0.340 8.821 -1.214 1.00 0.38 H new ATOM 0 HA LYS B 24 -0.769 7.831 1.420 1.00 0.37 H new ATOM 0 HB2 LYS B 24 0.992 9.649 1.664 1.00 0.35 H new ATOM 0 HB3 LYS B 24 0.110 10.641 0.521 1.00 0.35 H new ATOM 0 HG2 LYS B 24 -0.599 11.409 2.687 1.00 0.37 H new ATOM 0 HG3 LYS B 24 -1.930 10.436 2.093 1.00 0.37 H new ATOM 0 HD2 LYS B 24 -1.637 8.827 3.711 1.00 0.40 H new ATOM 0 HD3 LYS B 24 0.107 8.829 3.531 1.00 0.40 H new ATOM 0 HE2 LYS B 24 -0.680 9.703 5.803 1.00 0.41 H new ATOM 0 HE3 LYS B 24 0.319 10.851 4.935 1.00 0.41 H new ATOM 0 HZ1 LYS B 24 -1.443 12.234 5.080 1.00 0.44 H new ATOM 0 HZ2 LYS B 24 -2.188 11.271 3.896 1.00 0.44 H new ATOM 0 HZ3 LYS B 24 -2.503 10.989 5.541 1.00 0.44 H new ATOM 1338 N ALA B 25 -2.990 8.133 0.471 1.00 0.33 N ATOM 1339 CA ALA B 25 -4.373 8.374 -0.025 1.00 0.32 C ATOM 1340 C ALA B 25 -5.341 8.434 1.158 1.00 0.34 C ATOM 1341 O ALA B 25 -5.518 7.473 1.881 1.00 0.39 O ATOM 1342 CB ALA B 25 -4.691 7.184 -0.930 1.00 0.38 C ATOM 0 H ALA B 25 -2.885 7.325 1.085 1.00 0.33 H new ATOM 0 HA ALA B 25 -4.465 9.317 -0.563 1.00 0.32 H new ATOM 0 HB1 ALA B 25 -5.698 7.293 -1.333 1.00 0.38 H new ATOM 0 HB2 ALA B 25 -3.973 7.148 -1.750 1.00 0.38 H new ATOM 0 HB3 ALA B 25 -4.629 6.261 -0.353 1.00 0.38 H new ATOM 1348 N GLN B 26 -5.959 9.562 1.364 1.00 0.33 N ATOM 1349 CA GLN B 26 -6.909 9.698 2.506 1.00 0.34 C ATOM 1350 C GLN B 26 -8.020 10.696 2.161 1.00 0.35 C ATOM 1351 O GLN B 26 -8.030 11.293 1.105 1.00 0.38 O ATOM 1352 CB GLN B 26 -6.052 10.219 3.664 1.00 0.31 C ATOM 1353 CG GLN B 26 -5.612 11.655 3.368 1.00 0.30 C ATOM 1354 CD GLN B 26 -4.968 12.263 4.617 1.00 0.30 C ATOM 1355 OE1 GLN B 26 -4.316 11.574 5.376 1.00 0.33 O ATOM 1356 NE2 GLN B 26 -5.123 13.537 4.861 1.00 0.60 N ATOM 0 H GLN B 26 -5.848 10.398 0.791 1.00 0.33 H new ATOM 0 HA GLN B 26 -7.402 8.757 2.751 1.00 0.34 H new ATOM 0 HB2 GLN B 26 -6.619 10.186 4.594 1.00 0.31 H new ATOM 0 HB3 GLN B 26 -5.179 9.581 3.800 1.00 0.31 H new ATOM 0 HG2 GLN B 26 -4.904 11.666 2.540 1.00 0.30 H new ATOM 0 HG3 GLN B 26 -6.470 12.253 3.061 1.00 0.30 H new ATOM 0 HE21 GLN B 26 -5.670 14.115 4.224 1.00 0.60 H new ATOM 0 HE22 GLN B 26 -4.697 13.953 5.689 1.00 0.60 H new ATOM 1365 N CYS B 27 -8.961 10.872 3.045 1.00 0.36 N ATOM 1366 CA CYS B 27 -10.082 11.822 2.778 1.00 0.37 C ATOM 1367 C CYS B 27 -9.556 13.257 2.651 1.00 0.34 C ATOM 1368 O CYS B 27 -8.384 13.520 2.823 1.00 0.40 O ATOM 1369 CB CYS B 27 -11.003 11.661 3.991 1.00 0.47 C ATOM 1370 SG CYS B 27 -10.358 12.599 5.397 1.00 0.43 S ATOM 0 H CYS B 27 -9.004 10.397 3.947 1.00 0.36 H new ATOM 0 HA CYS B 27 -10.601 11.617 1.842 1.00 0.37 H new ATOM 0 HB2 CYS B 27 -12.006 12.008 3.743 1.00 0.47 H new ATOM 0 HB3 CYS B 27 -11.086 10.607 4.256 1.00 0.47 H new ATOM 1375 N ASP B 28 -10.421 14.178 2.337 1.00 0.32 N ATOM 1376 CA ASP B 28 -9.993 15.598 2.182 1.00 0.36 C ATOM 1377 C ASP B 28 -11.172 16.517 2.511 1.00 0.45 C ATOM 1378 O ASP B 28 -11.889 16.283 3.462 1.00 0.77 O ATOM 1379 CB ASP B 28 -9.587 15.726 0.710 1.00 0.40 C ATOM 1380 CG ASP B 28 -8.548 16.837 0.555 1.00 0.42 C ATOM 1381 OD1 ASP B 28 -8.800 17.928 1.038 1.00 0.43 O ATOM 1382 OD2 ASP B 28 -7.519 16.579 -0.049 1.00 0.61 O ATOM 0 H ASP B 28 -11.414 14.009 2.179 1.00 0.32 H new ATOM 0 HA ASP B 28 -9.174 15.875 2.845 1.00 0.36 H new ATOM 0 HB2 ASP B 28 -9.179 14.781 0.352 1.00 0.40 H new ATOM 0 HB3 ASP B 28 -10.463 15.946 0.099 1.00 0.40 H new ATOM 1387 N LYS B 29 -11.380 17.555 1.745 1.00 0.30 N ATOM 1388 CA LYS B 29 -12.515 18.469 2.034 1.00 0.42 C ATOM 1389 C LYS B 29 -13.742 17.663 2.464 1.00 0.33 C ATOM 1390 O LYS B 29 -14.206 16.803 1.745 1.00 0.46 O ATOM 1391 CB LYS B 29 -12.799 19.197 0.724 1.00 0.64 C ATOM 1392 CG LYS B 29 -13.981 20.138 0.938 1.00 0.69 C ATOM 1393 CD LYS B 29 -13.480 21.577 1.008 1.00 0.95 C ATOM 1394 CE LYS B 29 -13.338 21.987 2.473 1.00 1.07 C ATOM 1395 NZ LYS B 29 -13.757 23.413 2.508 1.00 1.39 N ATOM 0 H LYS B 29 -10.813 17.806 0.935 1.00 0.30 H new ATOM 0 HA LYS B 29 -12.281 19.164 2.841 1.00 0.42 H new ATOM 0 HB2 LYS B 29 -11.921 19.759 0.405 1.00 0.64 H new ATOM 0 HB3 LYS B 29 -13.024 18.481 -0.066 1.00 0.64 H new ATOM 0 HG2 LYS B 29 -14.697 20.030 0.123 1.00 0.69 H new ATOM 0 HG3 LYS B 29 -14.504 19.879 1.859 1.00 0.69 H new ATOM 0 HD2 LYS B 29 -12.521 21.666 0.498 1.00 0.95 H new ATOM 0 HD3 LYS B 29 -14.176 22.243 0.497 1.00 0.95 H new ATOM 0 HE2 LYS B 29 -13.967 21.374 3.119 1.00 1.07 H new ATOM 0 HE3 LYS B 29 -12.312 21.867 2.820 1.00 1.07 H new ATOM 0 HZ1 LYS B 29 -13.688 23.771 3.482 1.00 1.39 H new ATOM 0 HZ2 LYS B 29 -13.137 23.972 1.889 1.00 1.39 H new ATOM 0 HZ3 LYS B 29 -14.740 23.494 2.178 1.00 1.39 H new ATOM 1409 N PHE B 30 -14.250 17.919 3.641 1.00 0.31 N ATOM 1410 CA PHE B 30 -15.438 17.162 4.159 1.00 0.32 C ATOM 1411 C PHE B 30 -15.052 15.724 4.535 1.00 0.35 C ATOM 1412 O PHE B 30 -15.546 15.184 5.505 1.00 0.44 O ATOM 1413 CB PHE B 30 -16.494 17.165 3.044 1.00 0.31 C ATOM 1414 CG PHE B 30 -16.825 18.586 2.654 1.00 0.30 C ATOM 1415 CD1 PHE B 30 -17.401 19.451 3.590 1.00 0.47 C ATOM 1416 CD2 PHE B 30 -16.559 19.036 1.355 1.00 0.31 C ATOM 1417 CE1 PHE B 30 -17.711 20.768 3.230 1.00 0.52 C ATOM 1418 CE2 PHE B 30 -16.868 20.353 0.995 1.00 0.35 C ATOM 1419 CZ PHE B 30 -17.444 21.218 1.932 1.00 0.41 C ATOM 0 H PHE B 30 -13.890 18.630 4.277 1.00 0.31 H new ATOM 0 HA PHE B 30 -15.826 17.632 5.062 1.00 0.32 H new ATOM 0 HB2 PHE B 30 -16.122 16.618 2.178 1.00 0.31 H new ATOM 0 HB3 PHE B 30 -17.394 16.652 3.382 1.00 0.31 H new ATOM 0 HD1 PHE B 30 -17.607 19.103 4.591 1.00 0.47 H new ATOM 0 HD2 PHE B 30 -16.116 18.368 0.632 1.00 0.31 H new ATOM 0 HE1 PHE B 30 -18.156 21.436 3.953 1.00 0.52 H new ATOM 0 HE2 PHE B 30 -16.662 20.702 -0.006 1.00 0.35 H new ATOM 0 HZ PHE B 30 -17.683 22.234 1.653 1.00 0.41 H new ATOM 1429 N CYS B 31 -14.175 15.095 3.798 1.00 0.35 N ATOM 1430 CA CYS B 31 -13.781 13.712 4.148 1.00 0.39 C ATOM 1431 C CYS B 31 -15.015 12.816 4.256 1.00 0.43 C ATOM 1432 O CYS B 31 -14.958 11.742 4.819 1.00 0.51 O ATOM 1433 CB CYS B 31 -13.102 13.839 5.511 1.00 0.40 C ATOM 1434 SG CYS B 31 -11.374 14.338 5.304 1.00 0.39 S ATOM 0 H CYS B 31 -13.719 15.483 2.972 1.00 0.35 H new ATOM 0 HA CYS B 31 -13.130 13.265 3.396 1.00 0.39 H new ATOM 0 HB2 CYS B 31 -13.629 14.572 6.121 1.00 0.40 H new ATOM 0 HB3 CYS B 31 -13.153 12.888 6.041 1.00 0.40 H new ATOM 1439 N SER B 32 -16.135 13.242 3.739 1.00 0.44 N ATOM 1440 CA SER B 32 -17.350 12.387 3.848 1.00 0.51 C ATOM 1441 C SER B 32 -18.203 12.440 2.575 1.00 0.50 C ATOM 1442 O SER B 32 -19.196 11.749 2.470 1.00 0.56 O ATOM 1443 CB SER B 32 -18.121 12.964 5.036 1.00 0.55 C ATOM 1444 OG SER B 32 -17.265 13.021 6.169 1.00 0.61 O ATOM 0 H SER B 32 -16.261 14.130 3.254 1.00 0.44 H new ATOM 0 HA SER B 32 -17.089 11.337 3.983 1.00 0.51 H new ATOM 0 HB2 SER B 32 -18.491 13.961 4.795 1.00 0.55 H new ATOM 0 HB3 SER B 32 -18.991 12.345 5.254 1.00 0.55 H new ATOM 0 HG SER B 32 -16.688 13.811 6.104 1.00 0.61 H new ATOM 1450 N ILE B 33 -17.850 13.247 1.609 1.00 0.45 N ATOM 1451 CA ILE B 33 -18.688 13.304 0.373 1.00 0.47 C ATOM 1452 C ILE B 33 -17.843 13.147 -0.899 1.00 0.41 C ATOM 1453 O ILE B 33 -18.145 12.336 -1.752 1.00 0.42 O ATOM 1454 CB ILE B 33 -19.344 14.682 0.409 1.00 0.55 C ATOM 1455 CG1 ILE B 33 -20.269 14.777 1.626 1.00 0.63 C ATOM 1456 CG2 ILE B 33 -20.162 14.883 -0.868 1.00 0.64 C ATOM 1457 CD1 ILE B 33 -20.214 16.192 2.203 1.00 0.62 C ATOM 0 H ILE B 33 -17.034 13.859 1.619 1.00 0.45 H new ATOM 0 HA ILE B 33 -19.414 12.492 0.349 1.00 0.47 H new ATOM 0 HB ILE B 33 -18.575 15.451 0.478 1.00 0.55 H new ATOM 0 HG12 ILE B 33 -21.291 14.530 1.339 1.00 0.63 H new ATOM 0 HG13 ILE B 33 -19.967 14.053 2.383 1.00 0.63 H new ATOM 0 HG21 ILE B 33 -20.633 15.866 -0.848 1.00 0.64 H new ATOM 0 HG22 ILE B 33 -19.506 14.813 -1.735 1.00 0.64 H new ATOM 0 HG23 ILE B 33 -20.931 14.113 -0.932 1.00 0.64 H new ATOM 0 HD11 ILE B 33 -20.873 16.258 3.069 1.00 0.62 H new ATOM 0 HD12 ILE B 33 -19.193 16.422 2.506 1.00 0.62 H new ATOM 0 HD13 ILE B 33 -20.537 16.906 1.446 1.00 0.62 H new ATOM 1469 N ARG B 34 -16.792 13.912 -1.045 1.00 0.44 N ATOM 1470 CA ARG B 34 -15.958 13.800 -2.260 1.00 0.45 C ATOM 1471 C ARG B 34 -14.564 14.368 -2.006 1.00 0.42 C ATOM 1472 O ARG B 34 -14.070 15.184 -2.759 1.00 0.50 O ATOM 1473 CB ARG B 34 -16.678 14.631 -3.318 1.00 0.64 C ATOM 1474 CG ARG B 34 -16.779 16.077 -2.832 1.00 0.76 C ATOM 1475 CD ARG B 34 -16.268 17.021 -3.924 1.00 1.01 C ATOM 1476 NE ARG B 34 -17.352 17.055 -4.945 1.00 1.28 N ATOM 1477 CZ ARG B 34 -17.059 17.226 -6.206 1.00 1.62 C ATOM 1478 NH1 ARG B 34 -16.001 16.656 -6.719 1.00 1.83 N ATOM 1479 NH2 ARG B 34 -17.823 17.973 -6.956 1.00 2.02 N ATOM 0 H ARG B 34 -16.481 14.609 -0.368 1.00 0.44 H new ATOM 0 HA ARG B 34 -15.829 12.763 -2.568 1.00 0.45 H new ATOM 0 HB2 ARG B 34 -16.136 14.588 -4.263 1.00 0.64 H new ATOM 0 HB3 ARG B 34 -17.673 14.226 -3.502 1.00 0.64 H new ATOM 0 HG2 ARG B 34 -17.813 16.317 -2.584 1.00 0.76 H new ATOM 0 HG3 ARG B 34 -16.194 16.207 -1.921 1.00 0.76 H new ATOM 0 HD2 ARG B 34 -16.071 18.016 -3.525 1.00 1.01 H new ATOM 0 HD3 ARG B 34 -15.334 16.659 -4.353 1.00 1.01 H new ATOM 0 HE ARG B 34 -18.325 16.945 -4.659 1.00 1.28 H new ATOM 0 HH11 ARG B 34 -15.401 16.075 -6.134 1.00 1.83 H new ATOM 0 HH12 ARG B 34 -15.776 16.792 -7.704 1.00 1.83 H new ATOM 0 HH21 ARG B 34 -18.647 18.422 -6.557 1.00 2.02 H new ATOM 0 HH22 ARG B 34 -17.596 18.108 -7.941 1.00 2.02 H new ATOM 1493 N GLY B 35 -13.925 13.952 -0.953 1.00 0.37 N ATOM 1494 CA GLY B 35 -12.569 14.486 -0.658 1.00 0.36 C ATOM 1495 C GLY B 35 -11.506 13.392 -0.815 1.00 0.34 C ATOM 1496 O GLY B 35 -10.702 13.194 0.073 1.00 0.47 O ATOM 0 H GLY B 35 -14.280 13.268 -0.285 1.00 0.37 H new ATOM 0 HA2 GLY B 35 -12.346 15.315 -1.330 1.00 0.36 H new ATOM 0 HA3 GLY B 35 -12.542 14.882 0.357 1.00 0.36 H new ATOM 1500 N PRO B 36 -11.511 12.724 -1.943 1.00 0.33 N ATOM 1501 CA PRO B 36 -10.503 11.667 -2.182 1.00 0.38 C ATOM 1502 C PRO B 36 -9.133 12.305 -2.416 1.00 0.34 C ATOM 1503 O PRO B 36 -9.033 13.425 -2.883 1.00 0.43 O ATOM 1504 CB PRO B 36 -11.007 10.954 -3.432 1.00 0.50 C ATOM 1505 CG PRO B 36 -11.852 11.964 -4.140 1.00 0.51 C ATOM 1506 CD PRO B 36 -12.427 12.877 -3.083 1.00 0.41 C ATOM 0 HA PRO B 36 -10.383 10.981 -1.343 1.00 0.38 H new ATOM 0 HB2 PRO B 36 -10.179 10.624 -4.059 1.00 0.50 H new ATOM 0 HB3 PRO B 36 -11.585 10.067 -3.174 1.00 0.50 H new ATOM 0 HG2 PRO B 36 -11.257 12.530 -4.857 1.00 0.51 H new ATOM 0 HG3 PRO B 36 -12.648 11.475 -4.702 1.00 0.51 H new ATOM 0 HD2 PRO B 36 -12.467 13.911 -3.427 1.00 0.41 H new ATOM 0 HD3 PRO B 36 -13.445 12.590 -2.818 1.00 0.41 H new ATOM 1514 N VAL B 37 -8.079 11.617 -2.084 1.00 0.29 N ATOM 1515 CA VAL B 37 -6.723 12.199 -2.275 1.00 0.32 C ATOM 1516 C VAL B 37 -5.765 11.152 -2.831 1.00 0.29 C ATOM 1517 O VAL B 37 -6.014 9.965 -2.772 1.00 0.31 O ATOM 1518 CB VAL B 37 -6.306 12.651 -0.877 1.00 0.39 C ATOM 1519 CG1 VAL B 37 -4.816 12.998 -0.859 1.00 0.53 C ATOM 1520 CG2 VAL B 37 -7.122 13.884 -0.482 1.00 0.53 C ATOM 0 H VAL B 37 -8.097 10.677 -1.689 1.00 0.29 H new ATOM 0 HA VAL B 37 -6.713 13.022 -2.989 1.00 0.32 H new ATOM 0 HB VAL B 37 -6.490 11.843 -0.169 1.00 0.39 H new ATOM 0 HG11 VAL B 37 -4.529 13.319 0.142 1.00 0.53 H new ATOM 0 HG12 VAL B 37 -4.234 12.120 -1.139 1.00 0.53 H new ATOM 0 HG13 VAL B 37 -4.621 13.803 -1.568 1.00 0.53 H new ATOM 0 HG21 VAL B 37 -6.828 14.211 0.515 1.00 0.53 H new ATOM 0 HG22 VAL B 37 -6.937 14.687 -1.196 1.00 0.53 H new ATOM 0 HG23 VAL B 37 -8.183 13.634 -0.484 1.00 0.53 H new ATOM 1530 N ILE B 38 -4.683 11.598 -3.400 1.00 0.32 N ATOM 1531 CA ILE B 38 -3.707 10.659 -4.004 1.00 0.30 C ATOM 1532 C ILE B 38 -2.330 11.334 -4.089 1.00 0.30 C ATOM 1533 O ILE B 38 -2.136 12.280 -4.827 1.00 0.39 O ATOM 1534 CB ILE B 38 -4.321 10.392 -5.382 1.00 0.37 C ATOM 1535 CG1 ILE B 38 -5.018 9.026 -5.374 1.00 0.46 C ATOM 1536 CG2 ILE B 38 -3.254 10.415 -6.484 1.00 0.41 C ATOM 1537 CD1 ILE B 38 -4.015 7.941 -4.974 1.00 0.58 C ATOM 0 H ILE B 38 -4.432 12.584 -3.472 1.00 0.32 H new ATOM 0 HA ILE B 38 -3.541 9.739 -3.443 1.00 0.30 H new ATOM 0 HB ILE B 38 -5.043 11.181 -5.592 1.00 0.37 H new ATOM 0 HG12 ILE B 38 -5.855 9.037 -4.676 1.00 0.46 H new ATOM 0 HG13 ILE B 38 -5.429 8.810 -6.360 1.00 0.46 H new ATOM 0 HG21 ILE B 38 -3.723 10.222 -7.449 1.00 0.41 H new ATOM 0 HG22 ILE B 38 -2.772 11.393 -6.504 1.00 0.41 H new ATOM 0 HG23 ILE B 38 -2.507 9.647 -6.284 1.00 0.41 H new ATOM 0 HD11 ILE B 38 -4.512 6.971 -4.969 1.00 0.58 H new ATOM 0 HD12 ILE B 38 -3.193 7.924 -5.689 1.00 0.58 H new ATOM 0 HD13 ILE B 38 -3.625 8.155 -3.979 1.00 0.58 H new ATOM 1549 N GLU B 39 -1.377 10.864 -3.329 1.00 0.26 N ATOM 1550 CA GLU B 39 -0.023 11.490 -3.357 1.00 0.26 C ATOM 1551 C GLU B 39 1.053 10.434 -3.612 1.00 0.36 C ATOM 1552 O GLU B 39 1.123 9.430 -2.934 1.00 0.56 O ATOM 1553 CB GLU B 39 0.152 12.096 -1.964 1.00 0.33 C ATOM 1554 CG GLU B 39 1.471 12.870 -1.897 1.00 0.45 C ATOM 1555 CD GLU B 39 1.337 14.179 -2.676 1.00 0.41 C ATOM 1556 OE1 GLU B 39 1.186 14.115 -3.885 1.00 0.48 O ATOM 1557 OE2 GLU B 39 1.385 15.225 -2.050 1.00 0.50 O ATOM 0 H GLU B 39 -1.477 10.075 -2.691 1.00 0.26 H new ATOM 0 HA GLU B 39 0.070 12.232 -4.150 1.00 0.26 H new ATOM 0 HB2 GLU B 39 -0.682 12.761 -1.739 1.00 0.33 H new ATOM 0 HB3 GLU B 39 0.144 11.308 -1.211 1.00 0.33 H new ATOM 0 HG2 GLU B 39 1.730 13.078 -0.859 1.00 0.45 H new ATOM 0 HG3 GLU B 39 2.279 12.268 -2.313 1.00 0.45 H new ATOM 1564 N GLN B 40 1.901 10.659 -4.575 1.00 0.38 N ATOM 1565 CA GLN B 40 2.980 9.672 -4.858 1.00 0.53 C ATOM 1566 C GLN B 40 4.342 10.345 -4.699 1.00 0.40 C ATOM 1567 O GLN B 40 4.612 11.365 -5.303 1.00 0.43 O ATOM 1568 CB GLN B 40 2.760 9.246 -6.310 1.00 0.83 C ATOM 1569 CG GLN B 40 3.671 8.060 -6.635 1.00 0.93 C ATOM 1570 CD GLN B 40 3.198 6.831 -5.857 1.00 1.08 C ATOM 1571 OE1 GLN B 40 3.390 6.744 -4.661 1.00 1.24 O ATOM 1572 NE2 GLN B 40 2.579 5.873 -6.491 1.00 1.20 N ATOM 0 H GLN B 40 1.894 11.482 -5.178 1.00 0.38 H new ATOM 0 HA GLN B 40 2.956 8.819 -4.180 1.00 0.53 H new ATOM 0 HB2 GLN B 40 1.717 8.971 -6.466 1.00 0.83 H new ATOM 0 HB3 GLN B 40 2.974 10.078 -6.981 1.00 0.83 H new ATOM 0 HG2 GLN B 40 3.653 7.856 -7.706 1.00 0.93 H new ATOM 0 HG3 GLN B 40 4.702 8.296 -6.372 1.00 0.93 H new ATOM 0 HE21 GLN B 40 2.418 5.947 -7.496 1.00 1.20 H new ATOM 0 HE22 GLN B 40 2.256 5.050 -5.982 1.00 1.20 H new ATOM 1581 N GLY B 41 5.204 9.795 -3.889 1.00 0.46 N ATOM 1582 CA GLY B 41 6.535 10.432 -3.707 1.00 0.35 C ATOM 1583 C GLY B 41 7.458 9.533 -2.892 1.00 0.30 C ATOM 1584 O GLY B 41 7.305 8.327 -2.852 1.00 0.41 O ATOM 0 H GLY B 41 5.046 8.942 -3.352 1.00 0.46 H new ATOM 0 HA2 GLY B 41 6.983 10.634 -4.680 1.00 0.35 H new ATOM 0 HA3 GLY B 41 6.418 11.392 -3.204 1.00 0.35 H new ATOM 1588 N CYS B 42 8.424 10.123 -2.250 1.00 0.25 N ATOM 1589 CA CYS B 42 9.383 9.331 -1.437 1.00 0.28 C ATOM 1590 C CYS B 42 9.747 10.103 -0.169 1.00 0.33 C ATOM 1591 O CYS B 42 10.109 11.261 -0.221 1.00 0.40 O ATOM 1592 CB CYS B 42 10.605 9.176 -2.339 1.00 0.32 C ATOM 1593 SG CYS B 42 11.939 8.378 -1.421 1.00 0.34 S ATOM 0 H CYS B 42 8.591 11.129 -2.254 1.00 0.25 H new ATOM 0 HA CYS B 42 8.979 8.369 -1.120 1.00 0.28 H new ATOM 0 HB2 CYS B 42 10.349 8.583 -3.217 1.00 0.32 H new ATOM 0 HB3 CYS B 42 10.931 10.152 -2.698 1.00 0.32 H new ATOM 1598 N VAL B 43 9.660 9.474 0.970 1.00 0.39 N ATOM 1599 CA VAL B 43 10.005 10.182 2.235 1.00 0.45 C ATOM 1600 C VAL B 43 10.956 9.328 3.082 1.00 0.49 C ATOM 1601 O VAL B 43 12.157 9.343 2.891 1.00 0.67 O ATOM 1602 CB VAL B 43 8.674 10.376 2.962 1.00 0.48 C ATOM 1603 CG1 VAL B 43 8.940 11.021 4.324 1.00 0.61 C ATOM 1604 CG2 VAL B 43 7.757 11.282 2.139 1.00 0.53 C ATOM 0 H VAL B 43 9.366 8.504 1.080 1.00 0.39 H new ATOM 0 HA VAL B 43 10.510 11.130 2.048 1.00 0.45 H new ATOM 0 HB VAL B 43 8.189 9.409 3.097 1.00 0.48 H new ATOM 0 HG11 VAL B 43 7.996 11.163 4.850 1.00 0.61 H new ATOM 0 HG12 VAL B 43 9.589 10.373 4.913 1.00 0.61 H new ATOM 0 HG13 VAL B 43 9.425 11.987 4.181 1.00 0.61 H new ATOM 0 HG21 VAL B 43 6.811 11.415 2.664 1.00 0.53 H new ATOM 0 HG22 VAL B 43 8.234 12.252 1.999 1.00 0.53 H new ATOM 0 HG23 VAL B 43 7.572 10.825 1.167 1.00 0.53 H new ATOM 1614 N ALA B 44 10.426 8.586 4.022 1.00 0.37 N ATOM 1615 CA ALA B 44 11.288 7.734 4.885 1.00 0.39 C ATOM 1616 C ALA B 44 10.424 7.008 5.922 1.00 0.36 C ATOM 1617 O ALA B 44 10.646 5.854 6.231 1.00 0.37 O ATOM 1618 CB ALA B 44 12.256 8.705 5.560 1.00 0.52 C ATOM 0 H ALA B 44 9.428 8.536 4.227 1.00 0.37 H new ATOM 0 HA ALA B 44 11.820 6.967 4.323 1.00 0.39 H new ATOM 0 HB1 ALA B 44 12.928 8.152 6.216 1.00 0.52 H new ATOM 0 HB2 ALA B 44 12.838 9.226 4.800 1.00 0.52 H new ATOM 0 HB3 ALA B 44 11.693 9.431 6.146 1.00 0.52 H new ATOM 1624 N THR B 45 9.430 7.671 6.450 1.00 0.36 N ATOM 1625 CA THR B 45 8.540 7.011 7.456 1.00 0.39 C ATOM 1626 C THR B 45 7.083 7.078 6.998 1.00 0.34 C ATOM 1627 O THR B 45 6.536 8.142 6.782 1.00 0.44 O ATOM 1628 CB THR B 45 8.720 7.805 8.750 1.00 0.48 C ATOM 1629 OG1 THR B 45 10.099 7.865 9.083 1.00 0.52 O ATOM 1630 CG2 THR B 45 7.948 7.117 9.880 1.00 0.54 C ATOM 0 H THR B 45 9.194 8.639 6.231 1.00 0.36 H new ATOM 0 HA THR B 45 8.792 5.959 7.587 1.00 0.39 H new ATOM 0 HB THR B 45 8.338 8.817 8.613 1.00 0.48 H new ATOM 0 HG1 THR B 45 10.214 8.376 9.912 1.00 0.52 H new ATOM 0 HG21 THR B 45 8.075 7.682 10.804 1.00 0.54 H new ATOM 0 HG22 THR B 45 6.889 7.074 9.624 1.00 0.54 H new ATOM 0 HG23 THR B 45 8.329 6.105 10.018 1.00 0.54 H new ATOM 1638 N CYS B 46 6.447 5.948 6.854 1.00 0.32 N ATOM 1639 CA CYS B 46 5.022 5.942 6.416 1.00 0.29 C ATOM 1640 C CYS B 46 4.095 6.094 7.622 1.00 0.35 C ATOM 1641 O CYS B 46 4.517 5.941 8.751 1.00 0.53 O ATOM 1642 CB CYS B 46 4.830 4.590 5.732 1.00 0.34 C ATOM 1643 SG CYS B 46 5.750 4.596 4.174 1.00 0.36 S ATOM 0 H CYS B 46 6.853 5.027 7.021 1.00 0.32 H new ATOM 0 HA CYS B 46 4.786 6.768 5.745 1.00 0.29 H new ATOM 0 HB2 CYS B 46 5.184 3.786 6.377 1.00 0.34 H new ATOM 0 HB3 CYS B 46 3.772 4.407 5.546 1.00 0.34 H new ATOM 1648 N PRO B 47 2.861 6.410 7.342 1.00 0.31 N ATOM 1649 CA PRO B 47 1.870 6.606 8.425 1.00 0.36 C ATOM 1650 C PRO B 47 1.493 5.268 9.064 1.00 0.41 C ATOM 1651 O PRO B 47 1.512 4.235 8.425 1.00 0.47 O ATOM 1652 CB PRO B 47 0.680 7.242 7.712 1.00 0.40 C ATOM 1653 CG PRO B 47 0.807 6.818 6.282 1.00 0.49 C ATOM 1654 CD PRO B 47 2.274 6.601 6.010 1.00 0.40 C ATOM 0 HA PRO B 47 2.244 7.223 9.242 1.00 0.36 H new ATOM 0 HB2 PRO B 47 -0.263 6.903 8.141 1.00 0.40 H new ATOM 0 HB3 PRO B 47 0.700 8.328 7.804 1.00 0.40 H new ATOM 0 HG2 PRO B 47 0.243 5.903 6.100 1.00 0.49 H new ATOM 0 HG3 PRO B 47 0.401 7.580 5.617 1.00 0.49 H new ATOM 0 HD2 PRO B 47 2.437 5.731 5.374 1.00 0.40 H new ATOM 0 HD3 PRO B 47 2.715 7.457 5.499 1.00 0.40 H new ATOM 1662 N GLN B 48 1.164 5.287 10.326 1.00 0.46 N ATOM 1663 CA GLN B 48 0.797 4.044 11.032 1.00 0.55 C ATOM 1664 C GLN B 48 -0.498 3.475 10.462 1.00 0.55 C ATOM 1665 O GLN B 48 -1.504 3.412 11.137 1.00 0.65 O ATOM 1666 CB GLN B 48 0.613 4.456 12.493 1.00 0.68 C ATOM 1667 CG GLN B 48 1.963 4.876 13.075 1.00 0.68 C ATOM 1668 CD GLN B 48 1.937 4.719 14.597 1.00 0.69 C ATOM 1669 OE1 GLN B 48 2.524 3.802 15.135 1.00 0.93 O ATOM 1670 NE2 GLN B 48 1.273 5.578 15.319 1.00 0.74 N ATOM 0 H GLN B 48 1.136 6.129 10.901 1.00 0.46 H new ATOM 0 HA GLN B 48 1.555 3.268 10.923 1.00 0.55 H new ATOM 0 HB2 GLN B 48 -0.098 5.279 12.564 1.00 0.68 H new ATOM 0 HB3 GLN B 48 0.199 3.627 13.067 1.00 0.68 H new ATOM 0 HG2 GLN B 48 2.760 4.265 12.650 1.00 0.68 H new ATOM 0 HG3 GLN B 48 2.179 5.911 12.810 1.00 0.68 H new ATOM 0 HE21 GLN B 48 0.779 6.349 14.869 1.00 0.74 H new ATOM 0 HE22 GLN B 48 1.247 5.479 16.334 1.00 0.74 H new ATOM 1679 N PHE B 49 -0.452 3.079 9.214 1.00 0.50 N ATOM 1680 CA PHE B 49 -1.646 2.497 8.502 1.00 0.53 C ATOM 1681 C PHE B 49 -2.802 2.215 9.469 1.00 0.60 C ATOM 1682 O PHE B 49 -2.646 1.504 10.444 1.00 0.70 O ATOM 1683 CB PHE B 49 -1.151 1.174 7.915 1.00 0.59 C ATOM 1684 CG PHE B 49 -0.320 1.412 6.672 1.00 0.49 C ATOM 1685 CD1 PHE B 49 1.012 1.835 6.782 1.00 0.42 C ATOM 1686 CD2 PHE B 49 -0.876 1.189 5.405 1.00 0.50 C ATOM 1687 CE1 PHE B 49 1.784 2.035 5.630 1.00 0.34 C ATOM 1688 CE2 PHE B 49 -0.105 1.392 4.253 1.00 0.44 C ATOM 1689 CZ PHE B 49 1.225 1.814 4.366 1.00 0.35 C ATOM 0 H PHE B 49 0.387 3.135 8.637 1.00 0.50 H new ATOM 0 HA PHE B 49 -2.024 3.190 7.750 1.00 0.53 H new ATOM 0 HB2 PHE B 49 -0.557 0.641 8.658 1.00 0.59 H new ATOM 0 HB3 PHE B 49 -2.002 0.538 7.672 1.00 0.59 H new ATOM 0 HD1 PHE B 49 1.444 2.007 7.757 1.00 0.42 H new ATOM 0 HD2 PHE B 49 -1.901 0.860 5.317 1.00 0.50 H new ATOM 0 HE1 PHE B 49 2.810 2.360 5.717 1.00 0.34 H new ATOM 0 HE2 PHE B 49 -0.537 1.223 3.278 1.00 0.44 H new ATOM 0 HZ PHE B 49 1.820 1.969 3.478 1.00 0.35 H new ATOM 1699 N ARG B 50 -3.958 2.757 9.210 1.00 0.56 N ATOM 1700 CA ARG B 50 -5.113 2.508 10.120 1.00 0.61 C ATOM 1701 C ARG B 50 -6.421 2.910 9.441 1.00 0.55 C ATOM 1702 O ARG B 50 -6.438 3.358 8.312 1.00 0.52 O ATOM 1703 CB ARG B 50 -4.850 3.382 11.344 1.00 0.62 C ATOM 1704 CG ARG B 50 -4.818 4.850 10.925 1.00 0.50 C ATOM 1705 CD ARG B 50 -5.165 5.730 12.127 1.00 0.61 C ATOM 1706 NE ARG B 50 -4.491 7.029 11.855 1.00 0.63 N ATOM 1707 CZ ARG B 50 -4.584 8.002 12.718 1.00 0.72 C ATOM 1708 NH1 ARG B 50 -5.612 8.064 13.519 1.00 1.01 N ATOM 1709 NH2 ARG B 50 -3.649 8.910 12.783 1.00 0.88 N ATOM 0 H ARG B 50 -4.154 3.360 8.411 1.00 0.56 H new ATOM 0 HA ARG B 50 -5.208 1.455 10.386 1.00 0.61 H new ATOM 0 HB2 ARG B 50 -5.627 3.223 12.091 1.00 0.62 H new ATOM 0 HB3 ARG B 50 -3.903 3.104 11.806 1.00 0.62 H new ATOM 0 HG2 ARG B 50 -3.830 5.109 10.544 1.00 0.50 H new ATOM 0 HG3 ARG B 50 -5.528 5.024 10.116 1.00 0.50 H new ATOM 0 HD2 ARG B 50 -6.243 5.857 12.226 1.00 0.61 H new ATOM 0 HD3 ARG B 50 -4.809 5.287 13.057 1.00 0.61 H new ATOM 0 HE ARG B 50 -3.957 7.158 10.995 1.00 0.63 H new ATOM 0 HH11 ARG B 50 -6.341 7.352 13.469 1.00 1.01 H new ATOM 0 HH12 ARG B 50 -5.687 8.824 14.195 1.00 1.01 H new ATOM 0 HH21 ARG B 50 -2.844 8.859 12.158 1.00 0.88 H new ATOM 0 HH22 ARG B 50 -3.723 9.671 13.459 1.00 0.88 H new ATOM 1723 N SER B 51 -7.518 2.743 10.124 1.00 0.56 N ATOM 1724 CA SER B 51 -8.838 3.105 9.527 1.00 0.55 C ATOM 1725 C SER B 51 -9.045 4.624 9.521 1.00 0.47 C ATOM 1726 O SER B 51 -10.093 5.113 9.892 1.00 0.54 O ATOM 1727 CB SER B 51 -9.876 2.427 10.418 1.00 0.66 C ATOM 1728 OG SER B 51 -9.488 1.078 10.644 1.00 0.72 O ATOM 0 H SER B 51 -7.560 2.371 11.073 1.00 0.56 H new ATOM 0 HA SER B 51 -8.911 2.782 8.488 1.00 0.55 H new ATOM 0 HB2 SER B 51 -9.961 2.957 11.366 1.00 0.66 H new ATOM 0 HB3 SER B 51 -10.857 2.461 9.945 1.00 0.66 H new ATOM 0 HG SER B 51 -10.151 0.639 11.217 1.00 0.72 H new ATOM 1734 N ASN B 52 -8.066 5.375 9.092 1.00 0.41 N ATOM 1735 CA ASN B 52 -8.235 6.857 9.057 1.00 0.43 C ATOM 1736 C ASN B 52 -7.852 7.413 7.678 1.00 0.39 C ATOM 1737 O ASN B 52 -8.100 8.563 7.377 1.00 0.46 O ATOM 1738 CB ASN B 52 -7.297 7.399 10.136 1.00 0.53 C ATOM 1739 CG ASN B 52 -7.247 8.927 10.041 1.00 0.70 C ATOM 1740 OD1 ASN B 52 -6.187 9.517 10.100 1.00 0.87 O ATOM 1741 ND2 ASN B 52 -8.358 9.596 9.890 1.00 0.84 N ATOM 0 H ASN B 52 -7.163 5.030 8.767 1.00 0.41 H new ATOM 0 HA ASN B 52 -9.269 7.150 9.236 1.00 0.43 H new ATOM 0 HB2 ASN B 52 -7.646 7.096 11.123 1.00 0.53 H new ATOM 0 HB3 ASN B 52 -6.298 6.982 10.009 1.00 0.53 H new ATOM 0 HD21 ASN B 52 -8.335 10.613 9.822 1.00 0.84 H new ATOM 0 HD22 ASN B 52 -9.249 9.101 9.840 1.00 0.84 H new ATOM 1748 N TYR B 53 -7.260 6.608 6.834 1.00 0.38 N ATOM 1749 CA TYR B 53 -6.880 7.096 5.477 1.00 0.37 C ATOM 1750 C TYR B 53 -7.805 6.473 4.426 1.00 0.36 C ATOM 1751 O TYR B 53 -8.863 5.966 4.741 1.00 0.42 O ATOM 1752 CB TYR B 53 -5.437 6.629 5.266 1.00 0.38 C ATOM 1753 CG TYR B 53 -4.544 7.190 6.352 1.00 0.34 C ATOM 1754 CD1 TYR B 53 -4.135 8.529 6.306 1.00 0.37 C ATOM 1755 CD2 TYR B 53 -4.113 6.363 7.399 1.00 0.37 C ATOM 1756 CE1 TYR B 53 -3.299 9.042 7.308 1.00 0.38 C ATOM 1757 CE2 TYR B 53 -3.276 6.875 8.399 1.00 0.37 C ATOM 1758 CZ TYR B 53 -2.870 8.214 8.354 1.00 0.36 C ATOM 1759 OH TYR B 53 -2.044 8.720 9.337 1.00 0.41 O ATOM 0 H TYR B 53 -7.024 5.635 7.027 1.00 0.38 H new ATOM 0 HA TYR B 53 -6.967 8.179 5.387 1.00 0.37 H new ATOM 0 HB2 TYR B 53 -5.394 5.540 5.276 1.00 0.38 H new ATOM 0 HB3 TYR B 53 -5.081 6.953 4.288 1.00 0.38 H new ATOM 0 HD1 TYR B 53 -4.464 9.166 5.498 1.00 0.37 H new ATOM 0 HD2 TYR B 53 -4.427 5.330 7.435 1.00 0.37 H new ATOM 0 HE1 TYR B 53 -2.986 10.075 7.274 1.00 0.38 H new ATOM 0 HE2 TYR B 53 -2.944 6.237 9.205 1.00 0.37 H new ATOM 0 HH TYR B 53 -1.841 8.016 9.988 1.00 0.41 H new ATOM 1769 N ARG B 54 -7.415 6.505 3.182 1.00 0.30 N ATOM 1770 CA ARG B 54 -8.273 5.910 2.113 1.00 0.30 C ATOM 1771 C ARG B 54 -7.524 4.783 1.403 1.00 0.28 C ATOM 1772 O ARG B 54 -8.101 4.009 0.666 1.00 0.26 O ATOM 1773 CB ARG B 54 -8.551 7.060 1.148 1.00 0.33 C ATOM 1774 CG ARG B 54 -9.503 8.057 1.807 1.00 0.41 C ATOM 1775 CD ARG B 54 -10.941 7.567 1.645 1.00 0.46 C ATOM 1776 NE ARG B 54 -11.401 8.166 0.364 1.00 0.44 N ATOM 1777 CZ ARG B 54 -12.551 8.778 0.309 1.00 0.43 C ATOM 1778 NH1 ARG B 54 -13.649 8.090 0.159 1.00 0.47 N ATOM 1779 NH2 ARG B 54 -12.608 10.079 0.407 1.00 0.45 N ATOM 0 H ARG B 54 -6.540 6.917 2.857 1.00 0.30 H new ATOM 0 HA ARG B 54 -9.192 5.479 2.510 1.00 0.30 H new ATOM 0 HB2 ARG B 54 -7.619 7.555 0.877 1.00 0.33 H new ATOM 0 HB3 ARG B 54 -8.989 6.678 0.226 1.00 0.33 H new ATOM 0 HG2 ARG B 54 -9.260 8.164 2.864 1.00 0.41 H new ATOM 0 HG3 ARG B 54 -9.389 9.041 1.352 1.00 0.41 H new ATOM 0 HD2 ARG B 54 -10.987 6.478 1.612 1.00 0.46 H new ATOM 0 HD3 ARG B 54 -11.565 7.888 2.479 1.00 0.46 H new ATOM 0 HE ARG B 54 -10.818 8.098 -0.470 1.00 0.44 H new ATOM 0 HH11 ARG B 54 -13.608 7.074 0.085 1.00 0.47 H new ATOM 0 HH12 ARG B 54 -14.549 8.568 0.116 1.00 0.47 H new ATOM 0 HH21 ARG B 54 -11.751 10.619 0.527 1.00 0.45 H new ATOM 0 HH22 ARG B 54 -13.509 10.555 0.364 1.00 0.45 H new ATOM 1793 N SER B 55 -6.241 4.692 1.623 1.00 0.34 N ATOM 1794 CA SER B 55 -5.425 3.620 0.974 1.00 0.36 C ATOM 1795 C SER B 55 -3.950 3.992 1.052 1.00 0.36 C ATOM 1796 O SER B 55 -3.571 5.112 0.781 1.00 0.37 O ATOM 1797 CB SER B 55 -5.875 3.569 -0.487 1.00 0.35 C ATOM 1798 OG SER B 55 -4.822 3.040 -1.283 1.00 0.37 O ATOM 0 H SER B 55 -5.715 5.320 2.231 1.00 0.34 H new ATOM 0 HA SER B 55 -5.559 2.655 1.463 1.00 0.36 H new ATOM 0 HB2 SER B 55 -6.767 2.949 -0.584 1.00 0.35 H new ATOM 0 HB3 SER B 55 -6.142 4.568 -0.833 1.00 0.35 H new ATOM 0 HG SER B 55 -5.024 2.110 -1.517 1.00 0.37 H new ATOM 1804 N LEU B 56 -3.108 3.071 1.420 1.00 0.38 N ATOM 1805 CA LEU B 56 -1.662 3.403 1.509 1.00 0.39 C ATOM 1806 C LEU B 56 -0.819 2.281 0.899 1.00 0.43 C ATOM 1807 O LEU B 56 -1.183 1.122 0.937 1.00 0.53 O ATOM 1808 CB LEU B 56 -1.392 3.548 3.003 1.00 0.45 C ATOM 1809 CG LEU B 56 -1.888 4.920 3.457 1.00 0.41 C ATOM 1810 CD1 LEU B 56 -2.131 4.916 4.966 1.00 0.46 C ATOM 1811 CD2 LEU B 56 -0.835 5.969 3.110 1.00 0.52 C ATOM 0 H LEU B 56 -3.355 2.111 1.661 1.00 0.38 H new ATOM 0 HA LEU B 56 -1.404 4.309 0.961 1.00 0.39 H new ATOM 0 HB2 LEU B 56 -1.900 2.759 3.558 1.00 0.45 H new ATOM 0 HB3 LEU B 56 -0.326 3.445 3.207 1.00 0.45 H new ATOM 0 HG LEU B 56 -2.824 5.153 2.950 1.00 0.41 H new ATOM 0 HD11 LEU B 56 -2.484 5.898 5.280 1.00 0.46 H new ATOM 0 HD12 LEU B 56 -2.881 4.165 5.212 1.00 0.46 H new ATOM 0 HD13 LEU B 56 -1.201 4.682 5.484 1.00 0.46 H new ATOM 0 HD21 LEU B 56 -1.181 6.952 3.431 1.00 0.52 H new ATOM 0 HD22 LEU B 56 0.099 5.729 3.619 1.00 0.52 H new ATOM 0 HD23 LEU B 56 -0.670 5.976 2.033 1.00 0.52 H new ATOM 1823 N LEU B 57 0.305 2.623 0.335 1.00 0.38 N ATOM 1824 CA LEU B 57 1.184 1.592 -0.284 1.00 0.41 C ATOM 1825 C LEU B 57 2.626 1.823 0.158 1.00 0.39 C ATOM 1826 O LEU B 57 3.362 2.567 -0.460 1.00 0.42 O ATOM 1827 CB LEU B 57 1.049 1.799 -1.790 1.00 0.47 C ATOM 1828 CG LEU B 57 -0.311 1.280 -2.256 1.00 0.51 C ATOM 1829 CD1 LEU B 57 -1.384 2.327 -1.953 1.00 0.62 C ATOM 1830 CD2 LEU B 57 -0.266 1.015 -3.763 1.00 0.55 C ATOM 0 H LEU B 57 0.655 3.579 0.276 1.00 0.38 H new ATOM 0 HA LEU B 57 0.908 0.579 0.007 1.00 0.41 H new ATOM 0 HB2 LEU B 57 1.149 2.857 -2.033 1.00 0.47 H new ATOM 0 HB3 LEU B 57 1.849 1.275 -2.313 1.00 0.47 H new ATOM 0 HG LEU B 57 -0.548 0.354 -1.732 1.00 0.51 H new ATOM 0 HD11 LEU B 57 -2.355 1.959 -2.284 1.00 0.62 H new ATOM 0 HD12 LEU B 57 -1.415 2.517 -0.880 1.00 0.62 H new ATOM 0 HD13 LEU B 57 -1.148 3.252 -2.478 1.00 0.62 H new ATOM 0 HD21 LEU B 57 -1.235 0.645 -4.096 1.00 0.55 H new ATOM 0 HD22 LEU B 57 -0.031 1.941 -4.288 1.00 0.55 H new ATOM 0 HD23 LEU B 57 0.500 0.271 -3.979 1.00 0.55 H new ATOM 1842 N CYS B 58 3.031 1.209 1.229 1.00 0.35 N ATOM 1843 CA CYS B 58 4.418 1.415 1.716 1.00 0.33 C ATOM 1844 C CYS B 58 5.068 0.080 2.081 1.00 0.26 C ATOM 1845 O CYS B 58 4.417 -0.833 2.554 1.00 0.30 O ATOM 1846 CB CYS B 58 4.254 2.281 2.962 1.00 0.35 C ATOM 1847 SG CYS B 58 5.875 2.651 3.664 1.00 0.40 S ATOM 0 H CYS B 58 2.462 0.574 1.788 1.00 0.35 H new ATOM 0 HA CYS B 58 5.057 1.876 0.963 1.00 0.33 H new ATOM 0 HB2 CYS B 58 3.737 3.207 2.708 1.00 0.35 H new ATOM 0 HB3 CYS B 58 3.638 1.764 3.698 1.00 0.35 H new ATOM 1852 N CYS B 59 6.351 -0.037 1.880 1.00 0.24 N ATOM 1853 CA CYS B 59 7.042 -1.303 2.240 1.00 0.22 C ATOM 1854 C CYS B 59 8.159 -1.013 3.241 1.00 0.28 C ATOM 1855 O CYS B 59 8.949 -1.874 3.573 1.00 0.38 O ATOM 1856 CB CYS B 59 7.591 -1.871 0.930 1.00 0.25 C ATOM 1857 SG CYS B 59 9.044 -0.932 0.402 1.00 0.37 S ATOM 0 H CYS B 59 6.948 0.688 1.483 1.00 0.24 H new ATOM 0 HA CYS B 59 6.373 -2.020 2.715 1.00 0.22 H new ATOM 0 HB2 CYS B 59 7.855 -2.920 1.063 1.00 0.25 H new ATOM 0 HB3 CYS B 59 6.823 -1.831 0.158 1.00 0.25 H new ATOM 1862 N THR B 60 8.207 0.193 3.737 1.00 0.27 N ATOM 1863 CA THR B 60 9.243 0.565 4.740 1.00 0.35 C ATOM 1864 C THR B 60 10.637 0.127 4.271 1.00 0.34 C ATOM 1865 O THR B 60 11.534 -0.079 5.064 1.00 0.41 O ATOM 1866 CB THR B 60 8.823 -0.179 6.008 1.00 0.39 C ATOM 1867 OG1 THR B 60 9.093 -1.562 5.850 1.00 0.42 O ATOM 1868 CG2 THR B 60 7.323 0.022 6.245 1.00 0.50 C ATOM 0 H THR B 60 7.565 0.945 3.487 1.00 0.27 H new ATOM 0 HA THR B 60 9.308 1.642 4.898 1.00 0.35 H new ATOM 0 HB THR B 60 9.381 0.209 6.861 1.00 0.39 H new ATOM 0 HG1 THR B 60 9.398 -1.733 4.935 1.00 0.42 H new ATOM 0 HG21 THR B 60 7.023 -0.508 7.149 1.00 0.50 H new ATOM 0 HG22 THR B 60 7.112 1.085 6.361 1.00 0.50 H new ATOM 0 HG23 THR B 60 6.765 -0.368 5.394 1.00 0.50 H new ATOM 1876 N THR B 61 10.823 0.001 2.985 1.00 0.34 N ATOM 1877 CA THR B 61 12.157 -0.405 2.450 1.00 0.37 C ATOM 1878 C THR B 61 12.338 0.139 1.027 1.00 0.38 C ATOM 1879 O THR B 61 12.755 1.264 0.834 1.00 0.45 O ATOM 1880 CB THR B 61 12.150 -1.929 2.448 1.00 0.47 C ATOM 1881 OG1 THR B 61 10.822 -2.400 2.268 1.00 0.50 O ATOM 1882 CG2 THR B 61 12.706 -2.449 3.776 1.00 0.54 C ATOM 0 H THR B 61 10.106 0.162 2.278 1.00 0.34 H new ATOM 0 HA THR B 61 12.977 -0.012 3.050 1.00 0.37 H new ATOM 0 HB THR B 61 12.774 -2.291 1.631 1.00 0.47 H new ATOM 0 HG1 THR B 61 10.331 -2.324 3.112 1.00 0.50 H new ATOM 0 HG21 THR B 61 12.700 -3.539 3.771 1.00 0.54 H new ATOM 0 HG22 THR B 61 13.728 -2.093 3.907 1.00 0.54 H new ATOM 0 HG23 THR B 61 12.087 -2.086 4.597 1.00 0.54 H new ATOM 1890 N ASP B 62 12.027 -0.645 0.029 1.00 0.38 N ATOM 1891 CA ASP B 62 12.180 -0.164 -1.377 1.00 0.41 C ATOM 1892 C ASP B 62 11.215 -0.915 -2.296 1.00 0.40 C ATOM 1893 O ASP B 62 10.731 -1.977 -1.962 1.00 0.45 O ATOM 1894 CB ASP B 62 13.623 -0.499 -1.757 1.00 0.50 C ATOM 1895 CG ASP B 62 13.837 -2.012 -1.661 1.00 0.63 C ATOM 1896 OD1 ASP B 62 13.903 -2.514 -0.550 1.00 0.75 O ATOM 1897 OD2 ASP B 62 13.927 -2.646 -2.701 1.00 0.72 O ATOM 0 H ASP B 62 11.674 -1.597 0.126 1.00 0.38 H new ATOM 0 HA ASP B 62 11.963 0.900 -1.472 1.00 0.41 H new ATOM 0 HB2 ASP B 62 13.833 -0.155 -2.770 1.00 0.50 H new ATOM 0 HB3 ASP B 62 14.315 0.020 -1.094 1.00 0.50 H new ATOM 1902 N ASN B 63 10.944 -0.389 -3.460 1.00 0.38 N ATOM 1903 CA ASN B 63 10.027 -1.105 -4.383 1.00 0.39 C ATOM 1904 C ASN B 63 8.764 -1.522 -3.625 1.00 0.35 C ATOM 1905 O ASN B 63 8.413 -2.684 -3.578 1.00 0.41 O ATOM 1906 CB ASN B 63 10.817 -2.333 -4.837 1.00 0.47 C ATOM 1907 CG ASN B 63 11.991 -1.892 -5.715 1.00 0.50 C ATOM 1908 OD1 ASN B 63 13.083 -2.411 -5.598 1.00 0.55 O ATOM 1909 ND2 ASN B 63 11.810 -0.950 -6.599 1.00 0.52 N ATOM 0 H ASN B 63 11.315 0.496 -3.806 1.00 0.38 H new ATOM 0 HA ASN B 63 9.709 -0.494 -5.227 1.00 0.39 H new ATOM 0 HB2 ASN B 63 11.184 -2.883 -3.970 1.00 0.47 H new ATOM 0 HB3 ASN B 63 10.168 -3.010 -5.393 1.00 0.47 H new ATOM 0 HD21 ASN B 63 12.585 -0.650 -7.191 1.00 0.52 H new ATOM 0 HD22 ASN B 63 10.894 -0.513 -6.698 1.00 0.52 H new ATOM 1916 N CYS B 64 8.094 -0.584 -3.012 1.00 0.33 N ATOM 1917 CA CYS B 64 6.870 -0.932 -2.230 1.00 0.33 C ATOM 1918 C CYS B 64 5.642 -0.995 -3.150 1.00 0.35 C ATOM 1919 O CYS B 64 4.555 -1.326 -2.719 1.00 0.41 O ATOM 1920 CB CYS B 64 6.700 0.200 -1.210 1.00 0.34 C ATOM 1921 SG CYS B 64 8.309 0.702 -0.535 1.00 0.42 S ATOM 0 H CYS B 64 8.339 0.406 -3.018 1.00 0.33 H new ATOM 0 HA CYS B 64 6.965 -1.906 -1.751 1.00 0.33 H new ATOM 0 HB2 CYS B 64 6.216 1.054 -1.684 1.00 0.34 H new ATOM 0 HB3 CYS B 64 6.047 -0.128 -0.401 1.00 0.34 H new ATOM 1926 N ASN B 65 5.801 -0.671 -4.405 1.00 0.32 N ATOM 1927 CA ASN B 65 4.631 -0.706 -5.336 1.00 0.36 C ATOM 1928 C ASN B 65 4.575 -2.030 -6.100 1.00 0.39 C ATOM 1929 O ASN B 65 5.586 -2.609 -6.444 1.00 0.44 O ATOM 1930 CB ASN B 65 4.858 0.452 -6.306 1.00 0.39 C ATOM 1931 CG ASN B 65 4.498 1.768 -5.619 1.00 0.39 C ATOM 1932 OD1 ASN B 65 3.639 2.492 -6.079 1.00 0.42 O ATOM 1933 ND2 ASN B 65 5.121 2.108 -4.528 1.00 0.40 N ATOM 0 H ASN B 65 6.685 -0.385 -4.826 1.00 0.32 H new ATOM 0 HA ASN B 65 3.688 -0.617 -4.796 1.00 0.36 H new ATOM 0 HB2 ASN B 65 5.899 0.471 -6.630 1.00 0.39 H new ATOM 0 HB3 ASN B 65 4.249 0.317 -7.200 1.00 0.39 H new ATOM 0 HD21 ASN B 65 4.888 2.983 -4.059 1.00 0.40 H new ATOM 0 HD22 ASN B 65 5.843 1.499 -4.142 1.00 0.40 H new