USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot -127:sc= 1.25 USER MOD Set 1.2: A 143 GLN : amide:sc= -3.18! C(o=-1.9!,f=-5.6!) USER MOD Set 2.1: A 128 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 137 SER OG : rot -179:sc= 1.01 USER MOD Set 3.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 86 THR OG1 : rot -146:sc= 0.575 USER MOD Set 4.2: A 88 HIS : no HD1:sc= -2.59 K(o=-2,f=-4.6!) USER MOD Set 5.1: A 65 LYS NZ :NH3+ -178:sc= 1.27 (180deg=0) USER MOD Set 5.2: A 85 SER OG : rot 180:sc= 1.04 USER MOD Set 6.1: A 43 LYS NZ :NH3+ -126:sc= 0.828 (180deg=0) USER MOD Set 6.2: A 58 MET CE :methyl 140:sc= -0.0154 (180deg=-1.11) USER MOD Set 6.3: A 60 ASN : amide:sc= 1.62 K(o=1.4,f=-11!) USER MOD Set 6.4: A 67 THR OG1 : rot -149:sc= -1.31! USER MOD Set 6.5: A 118 TYR OH : rot -171:sc= 1.31 USER MOD Set 6.6: A 127 MET CE :methyl -156:sc= -1.07 (180deg=-1.24) USER MOD Single : A 2 THR OG1 : rot -67:sc= 1.23 USER MOD Single : A 6 LYS NZ :NH3+ -114:sc=-0.00166 (180deg=-0.096) USER MOD Single : A 10 THR OG1 : rot 28:sc= 0.0577 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.1) USER MOD Single : A 18 ASN : amide:sc= 0.0301 K(o=0.03,f=-3.1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -134:sc= -0.019 (180deg=-0.537) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -168:sc= -0.856 (180deg=-1.34) USER MOD Single : A 34 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.47) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= 1.29 (180deg=1.24) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc=-0.00709 (180deg=-0.0973) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 81:sc= 0.161 USER MOD Single : A 62 THR OG1 : rot 150:sc= 0.673 USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.305 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0877 X(o=-0.088,f=-0.48) USER MOD Single : A 69 HIS : no HD1:sc= -0.961 C(o=0.16!,f=-8.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.1) USER MOD Single : A 87 GLN : amide:sc= -3.4! C(o=-3.4!,f=-4.8!) USER MOD Single : A 89 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.19) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= 1.15 (180deg=-0.0748) USER MOD Single : A 98 ASN : amide:sc= 0.185 K(o=0.19,f=-3) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 101 THR OG1 : rot -39:sc= 0.29 USER MOD Single : A 104 HIS : no HD1:sc= -1.9 K(o=-0.29,f=-10!) USER MOD Single : A 106 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.08) USER MOD Single : A 111 THR OG1 : rot -29:sc= 1.21 USER MOD Single : A 116 TYR OH : rot 71:sc= 1.2 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -127:sc= -1.2 (180deg=-6.41!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 136 THR OG1 : rot 44:sc= 1.09 USER MOD Single : A 139 TYR OH : rot 32:sc= 1.22 USER MOD Single : A 140 TYR OH : rot -140:sc= -0.0527 USER MOD Single : A 141 LYS NZ :NH3+ 165:sc= 0.65 (180deg=0.529) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 1.565 -18.371 0.711 1.00 0.86 N ATOM 211 CA THR A 2 1.085 -17.821 1.961 1.00 0.81 C ATOM 212 C THR A 2 1.877 -16.573 2.329 1.00 0.66 C ATOM 213 O THR A 2 3.109 -16.580 2.312 1.00 0.64 O ATOM 214 CB THR A 2 1.199 -18.846 3.094 1.00 0.86 C ATOM 215 OG1 THR A 2 0.832 -20.145 2.604 1.00 0.99 O ATOM 216 CG2 THR A 2 0.294 -18.470 4.259 1.00 0.92 C ATOM 0 HA THR A 2 0.035 -17.561 1.828 1.00 0.81 H new ATOM 0 HB THR A 2 2.231 -18.859 3.446 1.00 0.86 H new ATOM 0 HG1 THR A 2 -0.123 -20.154 2.386 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.393 -19.213 5.051 1.00 0.92 H new ATOM 0 HG22 THR A 2 0.582 -17.491 4.642 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.741 -18.437 3.920 1.00 0.92 H new ATOM 224 N LEU A 3 1.158 -15.505 2.635 1.00 0.59 N ATOM 225 CA LEU A 3 1.779 -14.244 3.013 1.00 0.50 C ATOM 226 C LEU A 3 2.530 -14.402 4.327 1.00 0.49 C ATOM 227 O LEU A 3 1.937 -14.783 5.336 1.00 0.53 O ATOM 228 CB LEU A 3 0.734 -13.141 3.175 1.00 0.49 C ATOM 229 CG LEU A 3 0.909 -11.901 2.292 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.098 -10.757 2.851 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.363 -11.489 2.187 1.00 0.49 C ATOM 0 H LEU A 3 0.138 -15.486 2.629 1.00 0.59 H new ATOM 0 HA LEU A 3 2.470 -13.966 2.218 1.00 0.50 H new ATOM 0 HB2 LEU A 3 -0.248 -13.569 2.973 1.00 0.49 H new ATOM 0 HB3 LEU A 3 0.734 -12.821 4.217 1.00 0.49 H new ATOM 0 HG LEU A 3 0.557 -12.153 1.291 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.226 -9.878 2.220 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.955 -11.036 2.876 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.437 -10.530 3.862 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.446 -10.606 1.553 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.749 -11.260 3.180 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.942 -12.304 1.752 1.00 0.49 H new ATOM 243 N PRO A 4 3.840 -14.130 4.320 1.00 0.50 N ATOM 244 CA PRO A 4 4.648 -14.123 5.536 1.00 0.54 C ATOM 245 C PRO A 4 4.146 -13.075 6.521 1.00 0.47 C ATOM 246 O PRO A 4 3.828 -11.948 6.132 1.00 0.42 O ATOM 247 CB PRO A 4 6.055 -13.755 5.050 1.00 0.60 C ATOM 248 CG PRO A 4 6.048 -14.006 3.581 1.00 0.61 C ATOM 249 CD PRO A 4 4.632 -13.810 3.124 1.00 0.52 C ATOM 0 HA PRO A 4 4.612 -15.080 6.057 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.285 -12.712 5.269 1.00 0.60 H new ATOM 0 HB3 PRO A 4 6.813 -14.360 5.548 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.721 -13.320 3.067 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.392 -15.016 3.358 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.456 -12.788 2.787 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.384 -14.467 2.290 1.00 0.52 H new ATOM 257 N ASP A 5 4.084 -13.457 7.794 1.00 0.51 N ATOM 258 CA ASP A 5 3.603 -12.576 8.860 1.00 0.51 C ATOM 259 C ASP A 5 4.437 -11.303 8.935 1.00 0.45 C ATOM 260 O ASP A 5 4.002 -10.291 9.484 1.00 0.44 O ATOM 261 CB ASP A 5 3.639 -13.293 10.214 1.00 0.63 C ATOM 262 CG ASP A 5 2.737 -14.511 10.271 1.00 1.50 C ATOM 263 OD1 ASP A 5 1.635 -14.421 10.852 1.00 2.09 O ATOM 264 OD2 ASP A 5 3.134 -15.576 9.747 1.00 2.19 O ATOM 0 H ASP A 5 4.364 -14.383 8.117 1.00 0.51 H new ATOM 0 HA ASP A 5 2.573 -12.308 8.626 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.663 -13.597 10.429 1.00 0.63 H new ATOM 0 HB3 ASP A 5 3.343 -12.593 10.996 1.00 0.63 H new ATOM 269 N LYS A 6 5.647 -11.380 8.399 1.00 0.45 N ATOM 270 CA LYS A 6 6.538 -10.243 8.288 1.00 0.45 C ATOM 271 C LYS A 6 5.887 -9.068 7.549 1.00 0.38 C ATOM 272 O LYS A 6 6.140 -7.912 7.878 1.00 0.42 O ATOM 273 CB LYS A 6 7.803 -10.711 7.571 1.00 0.56 C ATOM 274 CG LYS A 6 8.940 -9.712 7.558 1.00 1.10 C ATOM 275 CD LYS A 6 10.253 -10.423 7.284 1.00 1.64 C ATOM 276 CE LYS A 6 11.398 -9.449 7.132 1.00 2.01 C ATOM 277 NZ LYS A 6 11.295 -8.662 5.875 1.00 2.53 N ATOM 0 H LYS A 6 6.038 -12.245 8.026 1.00 0.45 H new ATOM 0 HA LYS A 6 6.779 -9.873 9.285 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.152 -11.629 8.044 1.00 0.56 H new ATOM 0 HB3 LYS A 6 7.547 -10.960 6.541 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.761 -8.955 6.795 1.00 1.10 H new ATOM 0 HG3 LYS A 6 8.991 -9.194 8.516 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.469 -11.114 8.099 1.00 1.64 H new ATOM 0 HD3 LYS A 6 10.161 -11.020 6.377 1.00 1.64 H new ATOM 0 HE2 LYS A 6 11.413 -8.770 7.985 1.00 2.01 H new ATOM 0 HE3 LYS A 6 12.342 -9.994 7.142 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 12.083 -8.912 5.244 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 10.393 -8.876 5.404 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 11.337 -7.647 6.097 1.00 2.53 H new ATOM 291 N PHE A 7 5.031 -9.350 6.569 1.00 0.36 N ATOM 292 CA PHE A 7 4.371 -8.287 5.815 1.00 0.35 C ATOM 293 C PHE A 7 3.052 -7.896 6.468 1.00 0.32 C ATOM 294 O PHE A 7 2.371 -6.983 6.007 1.00 0.35 O ATOM 295 CB PHE A 7 4.094 -8.725 4.372 1.00 0.39 C ATOM 296 CG PHE A 7 5.321 -8.908 3.523 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.072 -7.813 3.127 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.709 -10.169 3.103 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.187 -7.976 2.328 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.823 -10.338 2.309 1.00 0.54 C ATOM 301 CZ PHE A 7 7.563 -9.240 1.920 1.00 0.57 C ATOM 0 H PHE A 7 4.780 -10.296 6.281 1.00 0.36 H new ATOM 0 HA PHE A 7 5.045 -7.430 5.811 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.540 -9.663 4.392 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.449 -7.984 3.899 1.00 0.39 H new ATOM 0 HD1 PHE A 7 5.783 -6.823 3.446 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.131 -11.031 3.401 1.00 0.48 H new ATOM 0 HE1 PHE A 7 7.764 -7.115 2.023 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.116 -11.328 1.992 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.436 -9.370 1.297 1.00 0.57 H new ATOM 311 N LEU A 8 2.700 -8.580 7.548 1.00 0.30 N ATOM 312 CA LEU A 8 1.394 -8.408 8.161 1.00 0.29 C ATOM 313 C LEU A 8 1.450 -7.461 9.356 1.00 0.29 C ATOM 314 O LEU A 8 2.524 -7.125 9.862 1.00 0.33 O ATOM 315 CB LEU A 8 0.835 -9.764 8.593 1.00 0.34 C ATOM 316 CG LEU A 8 0.645 -10.776 7.461 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.178 -12.109 8.009 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.352 -10.256 6.440 1.00 0.35 C ATOM 0 H LEU A 8 3.301 -9.258 8.016 1.00 0.30 H new ATOM 0 HA LEU A 8 0.734 -7.963 7.416 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.504 -10.196 9.337 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -0.126 -9.605 9.083 1.00 0.34 H new ATOM 0 HG LEU A 8 1.607 -10.918 6.969 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.049 -12.815 7.188 1.00 0.46 H new ATOM 0 HD12 LEU A 8 0.921 -12.496 8.707 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.772 -11.977 8.527 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.473 -10.990 5.643 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.313 -10.084 6.925 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.014 -9.320 6.018 1.00 0.35 H new ATOM 330 N GLY A 9 0.273 -7.032 9.784 1.00 0.32 N ATOM 331 CA GLY A 9 0.156 -6.143 10.918 1.00 0.33 C ATOM 332 C GLY A 9 -0.460 -4.823 10.518 1.00 0.31 C ATOM 333 O GLY A 9 -1.088 -4.720 9.465 1.00 0.52 O ATOM 0 H GLY A 9 -0.617 -7.290 9.357 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.454 -6.613 11.690 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.141 -5.971 11.351 1.00 0.33 H new ATOM 337 N THR A 10 -0.306 -3.815 11.351 1.00 0.34 N ATOM 338 CA THR A 10 -0.765 -2.486 11.006 1.00 0.35 C ATOM 339 C THR A 10 0.340 -1.473 11.247 1.00 0.32 C ATOM 340 O THR A 10 1.094 -1.573 12.213 1.00 0.40 O ATOM 341 CB THR A 10 -2.025 -2.082 11.793 1.00 0.38 C ATOM 342 OG1 THR A 10 -2.557 -0.852 11.282 1.00 1.05 O ATOM 343 CG2 THR A 10 -1.707 -1.922 13.260 1.00 0.99 C ATOM 0 H THR A 10 0.132 -3.890 12.269 1.00 0.34 H new ATOM 0 HA THR A 10 -1.029 -2.500 9.948 1.00 0.35 H new ATOM 0 HB THR A 10 -2.767 -2.872 11.675 1.00 0.38 H new ATOM 0 HG1 THR A 10 -2.328 -0.766 10.333 1.00 1.05 H new ATOM 0 HG21 THR A 10 -2.610 -1.636 13.799 1.00 0.99 H new ATOM 0 HG22 THR A 10 -1.331 -2.866 13.656 1.00 0.99 H new ATOM 0 HG23 THR A 10 -0.949 -1.148 13.386 1.00 0.99 H new ATOM 351 N PHE A 11 0.451 -0.524 10.344 1.00 0.27 N ATOM 352 CA PHE A 11 1.509 0.467 10.401 1.00 0.27 C ATOM 353 C PHE A 11 0.954 1.877 10.236 1.00 0.28 C ATOM 354 O PHE A 11 0.150 2.124 9.334 1.00 0.32 O ATOM 355 CB PHE A 11 2.539 0.195 9.294 1.00 0.31 C ATOM 356 CG PHE A 11 3.084 -1.209 9.286 1.00 0.33 C ATOM 357 CD1 PHE A 11 4.249 -1.520 9.973 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.430 -2.217 8.597 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.751 -2.808 9.967 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.928 -3.506 8.589 1.00 0.43 C ATOM 361 CZ PHE A 11 4.089 -3.801 9.270 1.00 0.44 C ATOM 0 H PHE A 11 -0.184 -0.415 9.553 1.00 0.27 H new ATOM 0 HA PHE A 11 1.985 0.394 11.379 1.00 0.27 H new ATOM 0 HB2 PHE A 11 2.079 0.399 8.327 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.368 0.894 9.406 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.769 -0.747 10.519 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.520 -1.993 8.060 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.658 -3.038 10.506 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.407 -4.283 8.049 1.00 0.43 H new ATOM 0 HZ PHE A 11 4.481 -4.807 9.259 1.00 0.44 H new ATOM 371 N LYS A 12 1.371 2.796 11.107 1.00 0.29 N ATOM 372 CA LYS A 12 1.055 4.201 10.904 1.00 0.33 C ATOM 373 C LYS A 12 2.167 4.877 10.099 1.00 0.27 C ATOM 374 O LYS A 12 3.354 4.619 10.313 1.00 0.69 O ATOM 375 CB LYS A 12 0.868 4.931 12.234 1.00 0.48 C ATOM 376 CG LYS A 12 2.128 5.020 13.077 1.00 0.78 C ATOM 377 CD LYS A 12 2.189 6.336 13.833 1.00 1.28 C ATOM 378 CE LYS A 12 1.029 6.482 14.798 1.00 1.72 C ATOM 379 NZ LYS A 12 1.242 5.716 16.057 1.00 2.19 N ATOM 0 H LYS A 12 1.918 2.594 11.944 1.00 0.29 H new ATOM 0 HA LYS A 12 0.117 4.254 10.352 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.506 5.939 12.034 1.00 0.48 H new ATOM 0 HB3 LYS A 12 0.094 4.422 12.809 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.156 4.190 13.783 1.00 0.78 H new ATOM 0 HG3 LYS A 12 3.005 4.924 12.437 1.00 0.78 H new ATOM 0 HD2 LYS A 12 3.129 6.397 14.382 1.00 1.28 H new ATOM 0 HD3 LYS A 12 2.179 7.164 13.124 1.00 1.28 H new ATOM 0 HE2 LYS A 12 0.888 7.536 15.036 1.00 1.72 H new ATOM 0 HE3 LYS A 12 0.113 6.138 14.317 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 0.512 5.977 16.750 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 1.182 4.697 15.858 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.182 5.938 16.444 1.00 2.19 H new ATOM 393 N LEU A 13 1.764 5.702 9.142 1.00 0.60 N ATOM 394 CA LEU A 13 2.694 6.506 8.351 1.00 0.50 C ATOM 395 C LEU A 13 3.590 7.342 9.259 1.00 0.46 C ATOM 396 O LEU A 13 3.100 8.164 10.037 1.00 0.52 O ATOM 397 CB LEU A 13 1.893 7.424 7.413 1.00 0.52 C ATOM 398 CG LEU A 13 2.643 8.011 6.209 1.00 0.55 C ATOM 399 CD1 LEU A 13 1.660 8.662 5.259 1.00 1.14 C ATOM 400 CD2 LEU A 13 3.681 9.037 6.634 1.00 1.04 C ATOM 0 H LEU A 13 0.785 5.835 8.890 1.00 0.60 H new ATOM 0 HA LEU A 13 3.329 5.842 7.764 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.037 6.863 7.039 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.499 8.251 8.003 1.00 0.52 H new ATOM 0 HG LEU A 13 3.160 7.190 5.713 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.198 9.077 4.407 1.00 1.14 H new ATOM 0 HD12 LEU A 13 0.945 7.918 4.909 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.129 9.461 5.776 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.189 9.428 5.752 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.190 9.854 7.162 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.410 8.566 7.293 1.00 1.04 H new ATOM 412 N GLU A 14 4.895 7.120 9.164 1.00 0.45 N ATOM 413 CA GLU A 14 5.864 7.924 9.891 1.00 0.48 C ATOM 414 C GLU A 14 6.299 9.112 9.034 1.00 0.45 C ATOM 415 O GLU A 14 6.171 10.266 9.446 1.00 0.49 O ATOM 416 CB GLU A 14 7.079 7.070 10.270 1.00 0.55 C ATOM 417 CG GLU A 14 8.156 7.822 11.040 1.00 0.67 C ATOM 418 CD GLU A 14 7.706 8.253 12.421 1.00 1.17 C ATOM 419 OE1 GLU A 14 7.241 9.402 12.573 1.00 2.08 O ATOM 420 OE2 GLU A 14 7.827 7.451 13.367 1.00 1.56 O ATOM 0 H GLU A 14 5.306 6.386 8.587 1.00 0.45 H new ATOM 0 HA GLU A 14 5.402 8.298 10.805 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.742 6.225 10.871 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.518 6.660 9.361 1.00 0.55 H new ATOM 0 HG2 GLU A 14 9.038 7.188 11.133 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.455 8.702 10.470 1.00 0.67 H new ATOM 427 N ARG A 15 6.784 8.825 7.826 1.00 0.42 N ATOM 428 CA ARG A 15 7.276 9.863 6.927 1.00 0.44 C ATOM 429 C ARG A 15 7.419 9.322 5.504 1.00 0.37 C ATOM 430 O ARG A 15 7.012 8.196 5.217 1.00 0.38 O ATOM 431 CB ARG A 15 8.631 10.364 7.407 1.00 0.51 C ATOM 432 CG ARG A 15 9.725 9.319 7.300 1.00 0.53 C ATOM 433 CD ARG A 15 11.091 9.947 7.441 1.00 0.77 C ATOM 434 NE ARG A 15 11.291 11.028 6.469 1.00 1.68 N ATOM 435 CZ ARG A 15 12.468 11.364 5.944 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.570 10.711 6.294 1.00 2.45 N ATOM 437 NH2 ARG A 15 12.539 12.358 5.064 1.00 3.36 N ATOM 0 H ARG A 15 6.846 7.879 7.449 1.00 0.42 H new ATOM 0 HA ARG A 15 6.557 10.682 6.926 1.00 0.44 H new ATOM 0 HB2 ARG A 15 8.915 11.240 6.823 1.00 0.51 H new ATOM 0 HB3 ARG A 15 8.545 10.687 8.445 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.587 8.563 8.073 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.653 8.809 6.339 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.210 10.339 8.451 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.858 9.185 7.302 1.00 0.77 H new ATOM 0 HE ARG A 15 10.471 11.559 6.175 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.518 9.947 6.968 1.00 2.45 H new ATOM 0 HH12 ARG A 15 14.469 10.973 5.888 1.00 2.45 H new ATOM 0 HH21 ARG A 15 11.694 12.861 4.793 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.439 12.618 4.660 1.00 3.36 H new ATOM 451 N ASP A 16 8.025 10.122 4.629 1.00 0.38 N ATOM 452 CA ASP A 16 8.286 9.719 3.249 1.00 0.43 C ATOM 453 C ASP A 16 9.395 10.575 2.645 1.00 0.39 C ATOM 454 O ASP A 16 9.826 11.557 3.251 1.00 0.52 O ATOM 455 CB ASP A 16 7.016 9.810 2.389 1.00 0.66 C ATOM 456 CG ASP A 16 6.365 11.180 2.407 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.182 11.286 2.790 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.047 12.167 2.064 1.00 0.72 O ATOM 0 H ASP A 16 8.347 11.063 4.855 1.00 0.38 H new ATOM 0 HA ASP A 16 8.609 8.678 3.262 1.00 0.43 H new ATOM 0 HB2 ASP A 16 7.265 9.549 1.360 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.296 9.071 2.740 1.00 0.66 H new ATOM 463 N GLU A 17 9.860 10.190 1.460 1.00 0.36 N ATOM 464 CA GLU A 17 10.922 10.917 0.766 1.00 0.38 C ATOM 465 C GLU A 17 10.624 10.996 -0.729 1.00 0.40 C ATOM 466 O GLU A 17 10.354 9.972 -1.353 1.00 0.83 O ATOM 467 CB GLU A 17 12.277 10.228 0.969 1.00 0.48 C ATOM 468 CG GLU A 17 12.762 10.207 2.409 1.00 1.18 C ATOM 469 CD GLU A 17 14.175 9.673 2.530 1.00 1.83 C ATOM 470 OE1 GLU A 17 15.132 10.404 2.194 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.336 8.516 2.977 1.00 2.13 O ATOM 0 H GLU A 17 9.516 9.373 0.956 1.00 0.36 H new ATOM 0 HA GLU A 17 10.965 11.923 1.185 1.00 0.38 H new ATOM 0 HB2 GLU A 17 12.207 9.202 0.607 1.00 0.48 H new ATOM 0 HB3 GLU A 17 13.023 10.732 0.355 1.00 0.48 H new ATOM 0 HG2 GLU A 17 12.721 11.216 2.819 1.00 1.18 H new ATOM 0 HG3 GLU A 17 12.090 9.592 3.008 1.00 1.18 H new ATOM 478 N ASN A 18 10.661 12.213 -1.282 1.00 0.34 N ATOM 479 CA ASN A 18 10.476 12.449 -2.727 1.00 0.30 C ATOM 480 C ASN A 18 9.019 12.204 -3.142 1.00 0.28 C ATOM 481 O ASN A 18 8.701 11.967 -4.315 1.00 0.27 O ATOM 482 CB ASN A 18 11.431 11.563 -3.541 1.00 0.32 C ATOM 483 CG ASN A 18 11.548 11.999 -4.987 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.389 13.172 -5.307 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.842 11.058 -5.866 1.00 0.66 N ATOM 0 H ASN A 18 10.820 13.065 -0.745 1.00 0.34 H new ATOM 0 HA ASN A 18 10.712 13.493 -2.935 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.418 11.582 -3.080 1.00 0.32 H new ATOM 0 HB3 ASN A 18 11.082 10.531 -3.505 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.945 11.296 -6.853 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.966 10.093 -5.558 1.00 0.66 H new ATOM 492 N PHE A 19 8.132 12.308 -2.168 1.00 0.30 N ATOM 493 CA PHE A 19 6.730 11.984 -2.378 1.00 0.31 C ATOM 494 C PHE A 19 6.042 13.044 -3.233 1.00 0.31 C ATOM 495 O PHE A 19 5.251 12.717 -4.117 1.00 0.32 O ATOM 496 CB PHE A 19 6.017 11.830 -1.037 1.00 0.37 C ATOM 497 CG PHE A 19 4.623 11.299 -1.167 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.392 10.099 -1.817 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.548 11.995 -0.643 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.112 9.605 -1.945 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.267 11.504 -0.767 1.00 0.48 C ATOM 502 CZ PHE A 19 2.049 10.306 -1.419 1.00 0.44 C ATOM 0 H PHE A 19 8.357 12.615 -1.222 1.00 0.30 H new ATOM 0 HA PHE A 19 6.676 11.037 -2.914 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.596 11.161 -0.400 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.985 12.798 -0.537 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.223 9.545 -2.228 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.715 12.932 -0.132 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.942 8.669 -2.457 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.434 12.055 -0.355 1.00 0.48 H new ATOM 0 HZ PHE A 19 1.045 9.919 -1.516 1.00 0.44 H new ATOM 512 N ASP A 20 6.343 14.309 -2.961 1.00 0.33 N ATOM 513 CA ASP A 20 5.791 15.421 -3.733 1.00 0.37 C ATOM 514 C ASP A 20 6.034 15.237 -5.231 1.00 0.33 C ATOM 515 O ASP A 20 5.096 15.272 -6.034 1.00 0.33 O ATOM 516 CB ASP A 20 6.414 16.741 -3.267 1.00 0.46 C ATOM 517 CG ASP A 20 5.902 17.935 -4.047 1.00 1.08 C ATOM 518 OD1 ASP A 20 6.564 18.341 -5.026 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.829 18.463 -3.695 1.00 2.04 O ATOM 0 H ASP A 20 6.970 14.593 -2.208 1.00 0.33 H new ATOM 0 HA ASP A 20 4.714 15.443 -3.564 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.201 16.885 -2.208 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.498 16.683 -3.369 1.00 0.46 H new ATOM 524 N GLU A 21 7.295 15.027 -5.598 1.00 0.34 N ATOM 525 CA GLU A 21 7.667 14.844 -6.997 1.00 0.35 C ATOM 526 C GLU A 21 6.950 13.651 -7.615 1.00 0.31 C ATOM 527 O GLU A 21 6.575 13.689 -8.793 1.00 0.34 O ATOM 528 CB GLU A 21 9.180 14.682 -7.143 1.00 0.41 C ATOM 529 CG GLU A 21 9.961 15.890 -6.663 1.00 0.51 C ATOM 530 CD GLU A 21 11.417 15.853 -7.073 1.00 1.14 C ATOM 531 OE1 GLU A 21 11.708 15.962 -8.280 1.00 1.65 O ATOM 532 OE2 GLU A 21 12.284 15.696 -6.184 1.00 1.79 O ATOM 0 H GLU A 21 8.077 14.979 -4.945 1.00 0.34 H new ATOM 0 HA GLU A 21 7.357 15.741 -7.534 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.500 13.804 -6.582 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.419 14.496 -8.190 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.500 16.795 -7.060 1.00 0.51 H new ATOM 0 HG3 GLU A 21 9.896 15.949 -5.577 1.00 0.51 H new ATOM 539 N TYR A 22 6.759 12.592 -6.831 1.00 0.29 N ATOM 540 CA TYR A 22 6.004 11.433 -7.299 1.00 0.28 C ATOM 541 C TYR A 22 4.570 11.824 -7.655 1.00 0.30 C ATOM 542 O TYR A 22 4.008 11.336 -8.638 1.00 0.33 O ATOM 543 CB TYR A 22 5.999 10.325 -6.244 1.00 0.30 C ATOM 544 CG TYR A 22 5.124 9.148 -6.612 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.839 9.030 -6.100 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.579 8.164 -7.480 1.00 0.38 C ATOM 547 CE1 TYR A 22 3.031 7.962 -6.441 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.776 7.093 -7.824 1.00 0.44 C ATOM 549 CZ TYR A 22 3.504 6.997 -7.303 1.00 0.50 C ATOM 550 OH TYR A 22 2.701 5.934 -7.647 1.00 0.57 O ATOM 0 H TYR A 22 7.113 12.513 -5.878 1.00 0.29 H new ATOM 0 HA TYR A 22 6.494 11.057 -8.197 1.00 0.28 H new ATOM 0 HB2 TYR A 22 7.020 9.975 -6.091 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.658 10.739 -5.295 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.465 9.785 -5.424 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.575 8.237 -7.892 1.00 0.38 H new ATOM 0 HE1 TYR A 22 2.034 7.884 -6.034 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.144 6.334 -8.499 1.00 0.44 H new ATOM 0 HH TYR A 22 3.184 5.345 -8.264 1.00 0.57 H new ATOM 560 N LEU A 23 3.985 12.715 -6.864 1.00 0.28 N ATOM 561 CA LEU A 23 2.614 13.149 -7.093 1.00 0.30 C ATOM 562 C LEU A 23 2.516 13.932 -8.393 1.00 0.34 C ATOM 563 O LEU A 23 1.537 13.809 -9.131 1.00 0.37 O ATOM 564 CB LEU A 23 2.115 14.001 -5.927 1.00 0.30 C ATOM 565 CG LEU A 23 2.095 13.294 -4.575 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.562 14.222 -3.500 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.255 12.030 -4.651 1.00 0.32 C ATOM 0 H LEU A 23 4.438 13.150 -6.060 1.00 0.28 H new ATOM 0 HA LEU A 23 1.984 12.263 -7.168 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.745 14.887 -5.848 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.107 14.347 -6.154 1.00 0.30 H new ATOM 0 HG LEU A 23 3.116 13.015 -4.314 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.554 13.702 -2.542 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.201 15.103 -3.430 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.548 14.529 -3.755 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.251 11.537 -3.679 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.234 12.288 -4.932 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.677 11.357 -5.397 1.00 0.32 H new ATOM 579 N LYS A 24 3.547 14.718 -8.678 1.00 0.34 N ATOM 580 CA LYS A 24 3.617 15.464 -9.926 1.00 0.39 C ATOM 581 C LYS A 24 3.667 14.495 -11.099 1.00 0.40 C ATOM 582 O LYS A 24 2.992 14.680 -12.113 1.00 0.44 O ATOM 583 CB LYS A 24 4.859 16.358 -9.950 1.00 0.41 C ATOM 584 CG LYS A 24 4.893 17.414 -8.859 1.00 0.45 C ATOM 585 CD LYS A 24 6.171 18.235 -8.934 1.00 0.55 C ATOM 586 CE LYS A 24 6.208 19.320 -7.871 1.00 1.35 C ATOM 587 NZ LYS A 24 5.138 20.331 -8.066 1.00 1.88 N ATOM 0 H LYS A 24 4.347 14.855 -8.060 1.00 0.34 H new ATOM 0 HA LYS A 24 2.730 16.093 -10.005 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.745 15.730 -9.859 1.00 0.41 H new ATOM 0 HB3 LYS A 24 4.917 16.853 -10.920 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.029 18.071 -8.957 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.821 16.935 -7.882 1.00 0.45 H new ATOM 0 HD2 LYS A 24 7.032 17.578 -8.813 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.253 18.690 -9.921 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.101 18.865 -6.886 1.00 1.35 H new ATOM 0 HE3 LYS A 24 7.180 19.813 -7.891 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 5.539 21.285 -7.965 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 4.730 20.226 -9.017 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 4.394 20.191 -7.353 1.00 1.88 H new ATOM 601 N ALA A 25 4.477 13.459 -10.935 1.00 0.40 N ATOM 602 CA ALA A 25 4.633 12.423 -11.945 1.00 0.43 C ATOM 603 C ALA A 25 3.308 11.714 -12.223 1.00 0.43 C ATOM 604 O ALA A 25 2.942 11.498 -13.377 1.00 0.44 O ATOM 605 CB ALA A 25 5.684 11.422 -11.498 1.00 0.43 C ATOM 0 H ALA A 25 5.044 13.313 -10.099 1.00 0.40 H new ATOM 0 HA ALA A 25 4.957 12.896 -12.872 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.797 10.649 -12.258 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.636 11.933 -11.357 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.375 10.965 -10.558 1.00 0.43 H new ATOM 611 N ARG A 26 2.586 11.375 -11.159 1.00 0.43 N ATOM 612 CA ARG A 26 1.316 10.656 -11.285 1.00 0.45 C ATOM 613 C ARG A 26 0.220 11.539 -11.873 1.00 0.47 C ATOM 614 O ARG A 26 -0.857 11.053 -12.222 1.00 0.51 O ATOM 615 CB ARG A 26 0.868 10.105 -9.932 1.00 0.48 C ATOM 616 CG ARG A 26 1.618 8.857 -9.500 1.00 0.85 C ATOM 617 CD ARG A 26 1.288 7.663 -10.386 1.00 0.72 C ATOM 618 NE ARG A 26 -0.115 7.262 -10.275 1.00 0.76 N ATOM 619 CZ ARG A 26 -0.935 7.093 -11.313 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.510 7.310 -12.553 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.181 6.702 -11.102 1.00 1.06 N ATOM 0 H ARG A 26 2.856 11.585 -10.198 1.00 0.43 H new ATOM 0 HA ARG A 26 1.485 9.826 -11.971 1.00 0.45 H new ATOM 0 HB2 ARG A 26 0.999 10.877 -9.174 1.00 0.48 H new ATOM 0 HB3 ARG A 26 -0.198 9.880 -9.976 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.691 9.048 -9.533 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.367 8.622 -8.466 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.512 7.910 -11.424 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.927 6.823 -10.113 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.491 7.101 -9.341 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.451 7.609 -12.718 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.145 7.178 -13.340 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.508 6.532 -10.151 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -2.815 6.570 -11.890 1.00 1.06 H new ATOM 635 N GLY A 27 0.494 12.831 -11.976 1.00 0.46 N ATOM 636 CA GLY A 27 -0.461 13.741 -12.573 1.00 0.49 C ATOM 637 C GLY A 27 -1.386 14.362 -11.553 1.00 0.50 C ATOM 638 O GLY A 27 -2.496 14.783 -11.884 1.00 0.62 O ATOM 0 H GLY A 27 1.360 13.265 -11.657 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.075 14.530 -13.100 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -1.052 13.206 -13.316 1.00 0.49 H new ATOM 642 N TYR A 28 -0.940 14.420 -10.309 1.00 0.48 N ATOM 643 CA TYR A 28 -1.718 15.052 -9.260 1.00 0.53 C ATOM 644 C TYR A 28 -1.368 16.528 -9.178 1.00 0.56 C ATOM 645 O TYR A 28 -0.204 16.897 -8.983 1.00 0.54 O ATOM 646 CB TYR A 28 -1.484 14.367 -7.911 1.00 0.51 C ATOM 647 CG TYR A 28 -2.070 12.974 -7.834 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.253 11.855 -7.742 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.444 12.782 -7.862 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.792 10.582 -7.682 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.991 11.514 -7.799 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.162 10.418 -7.712 1.00 0.60 C ATOM 653 OH TYR A 28 -3.703 9.153 -7.662 1.00 0.64 O ATOM 0 H TYR A 28 -0.045 14.038 -10.003 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.775 14.950 -9.504 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.412 14.313 -7.720 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.918 14.980 -7.121 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.181 11.980 -7.717 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -4.098 13.639 -7.934 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.144 9.721 -7.612 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -5.063 11.384 -7.818 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.681 9.214 -7.691 1.00 0.64 H new ATOM 663 N GLY A 29 -2.383 17.361 -9.338 1.00 0.68 N ATOM 664 CA GLY A 29 -2.183 18.790 -9.359 1.00 0.80 C ATOM 665 C GLY A 29 -1.922 19.363 -7.984 1.00 0.88 C ATOM 666 O GLY A 29 -1.836 18.625 -6.999 1.00 1.54 O ATOM 0 H GLY A 29 -3.352 17.066 -9.455 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -1.343 19.026 -10.012 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -3.063 19.270 -9.787 1.00 0.80 H new ATOM 670 N TRP A 30 -1.817 20.683 -7.924 1.00 0.54 N ATOM 671 CA TRP A 30 -1.467 21.384 -6.698 1.00 0.56 C ATOM 672 C TRP A 30 -2.396 20.996 -5.550 1.00 0.54 C ATOM 673 O TRP A 30 -1.932 20.610 -4.476 1.00 0.52 O ATOM 674 CB TRP A 30 -1.513 22.897 -6.940 1.00 0.65 C ATOM 675 CG TRP A 30 -1.221 23.716 -5.718 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.003 24.100 -5.262 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.178 24.254 -4.803 1.00 0.86 C ATOM 678 NE1 TRP A 30 -0.132 24.840 -4.114 1.00 0.98 N ATOM 679 CE2 TRP A 30 -1.465 24.950 -3.812 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.571 24.212 -4.729 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -2.102 25.598 -2.756 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -4.201 24.854 -3.685 1.00 1.07 C ATOM 683 CH2 TRP A 30 -3.469 25.538 -2.712 1.00 1.18 C ATOM 0 H TRP A 30 -1.972 21.297 -8.723 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.456 21.095 -6.412 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.793 23.153 -7.718 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -2.500 23.165 -7.318 1.00 0.65 H new ATOM 0 HD1 TRP A 30 0.943 23.858 -5.735 1.00 0.84 H new ATOM 0 HE1 TRP A 30 0.634 25.242 -3.574 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -4.145 23.685 -5.477 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -1.539 26.127 -2.001 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -5.279 24.828 -3.618 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -3.993 26.031 -1.907 1.00 1.18 H new ATOM 694 N ILE A 31 -3.704 21.085 -5.790 1.00 0.60 N ATOM 695 CA ILE A 31 -4.699 20.757 -4.777 1.00 0.63 C ATOM 696 C ILE A 31 -4.509 19.349 -4.231 1.00 0.53 C ATOM 697 O ILE A 31 -4.413 19.157 -3.019 1.00 0.51 O ATOM 698 CB ILE A 31 -6.133 20.928 -5.334 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.653 22.322 -5.001 1.00 1.05 C ATOM 700 CG2 ILE A 31 -7.085 19.863 -4.795 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.816 22.547 -3.516 1.00 2.16 C ATOM 0 H ILE A 31 -4.098 21.383 -6.682 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.558 21.455 -3.952 1.00 0.63 H new ATOM 0 HB ILE A 31 -6.089 20.805 -6.416 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.966 23.067 -5.403 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -7.613 22.474 -5.494 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -8.080 20.020 -5.211 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.724 18.875 -5.080 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.131 19.933 -3.708 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -7.189 23.556 -3.340 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -7.525 21.823 -3.114 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.852 22.425 -3.022 1.00 2.16 H new ATOM 713 N MET A 32 -4.452 18.376 -5.125 1.00 0.48 N ATOM 714 CA MET A 32 -4.270 16.994 -4.722 1.00 0.43 C ATOM 715 C MET A 32 -3.008 16.820 -3.903 1.00 0.38 C ATOM 716 O MET A 32 -3.024 16.148 -2.881 1.00 0.39 O ATOM 717 CB MET A 32 -4.238 16.054 -5.925 1.00 0.48 C ATOM 718 CG MET A 32 -5.598 15.830 -6.553 1.00 0.55 C ATOM 719 SD MET A 32 -6.890 15.513 -5.334 1.00 0.97 S ATOM 720 CE MET A 32 -6.113 14.247 -4.338 1.00 0.48 C ATOM 0 H MET A 32 -4.529 18.518 -6.132 1.00 0.48 H new ATOM 0 HA MET A 32 -5.129 16.732 -4.104 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.562 16.462 -6.677 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.827 15.093 -5.615 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.869 16.706 -7.143 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.540 14.987 -7.242 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.855 13.796 -3.679 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.692 13.480 -4.988 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.318 14.692 -3.739 1.00 0.48 H new ATOM 730 N ARG A 33 -1.922 17.438 -4.338 1.00 0.39 N ATOM 731 CA ARG A 33 -0.658 17.319 -3.627 1.00 0.41 C ATOM 732 C ARG A 33 -0.769 17.891 -2.222 1.00 0.45 C ATOM 733 O ARG A 33 -0.120 17.407 -1.296 1.00 0.60 O ATOM 734 CB ARG A 33 0.469 18.001 -4.399 1.00 0.49 C ATOM 735 CG ARG A 33 0.712 17.369 -5.756 1.00 0.90 C ATOM 736 CD ARG A 33 1.960 17.915 -6.423 1.00 0.71 C ATOM 737 NE ARG A 33 1.938 19.369 -6.554 1.00 0.77 N ATOM 738 CZ ARG A 33 1.737 20.008 -7.700 1.00 0.99 C ATOM 739 NH1 ARG A 33 1.418 19.333 -8.798 1.00 1.87 N ATOM 740 NH2 ARG A 33 1.827 21.331 -7.744 1.00 1.03 N ATOM 0 H ARG A 33 -1.889 18.023 -5.173 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.419 16.259 -3.544 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.227 19.056 -4.532 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.386 17.956 -3.812 1.00 0.49 H new ATOM 0 HG2 ARG A 33 0.805 16.289 -5.641 1.00 0.90 H new ATOM 0 HG3 ARG A 33 -0.150 17.548 -6.399 1.00 0.90 H new ATOM 0 HD2 ARG A 33 2.835 17.620 -5.844 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.065 17.467 -7.411 1.00 0.71 H new ATOM 0 HE ARG A 33 2.086 19.928 -5.714 1.00 0.77 H new ATOM 0 HH11 ARG A 33 1.326 18.318 -8.764 1.00 1.87 H new ATOM 0 HH12 ARG A 33 1.265 19.830 -9.676 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.050 21.855 -6.898 1.00 1.03 H new ATOM 0 HH22 ARG A 33 1.673 21.824 -8.624 1.00 1.03 H new ATOM 754 N GLN A 34 -1.620 18.895 -2.054 1.00 0.41 N ATOM 755 CA GLN A 34 -1.827 19.492 -0.745 1.00 0.46 C ATOM 756 C GLN A 34 -2.619 18.550 0.148 1.00 0.47 C ATOM 757 O GLN A 34 -2.509 18.597 1.369 1.00 0.58 O ATOM 758 CB GLN A 34 -2.541 20.837 -0.864 1.00 0.51 C ATOM 759 CG GLN A 34 -1.725 21.885 -1.598 1.00 0.80 C ATOM 760 CD GLN A 34 -0.284 21.929 -1.129 1.00 1.39 C ATOM 761 OE1 GLN A 34 0.585 21.254 -1.682 1.00 1.88 O ATOM 762 NE2 GLN A 34 -0.024 22.702 -0.091 1.00 1.97 N ATOM 0 H GLN A 34 -2.174 19.309 -2.804 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.850 19.665 -0.293 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.488 20.693 -1.384 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.778 21.204 0.134 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.750 21.677 -2.668 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.181 22.864 -1.453 1.00 0.80 H new ATOM 0 HE21 GLN A 34 -0.772 23.246 0.340 1.00 1.97 H new ATOM 0 HE22 GLN A 34 0.924 22.755 0.280 1.00 1.97 H new ATOM 771 N VAL A 35 -3.415 17.695 -0.468 1.00 0.42 N ATOM 772 CA VAL A 35 -4.172 16.693 0.260 1.00 0.42 C ATOM 773 C VAL A 35 -3.314 15.458 0.530 1.00 0.40 C ATOM 774 O VAL A 35 -3.023 15.127 1.679 1.00 0.44 O ATOM 775 CB VAL A 35 -5.422 16.276 -0.548 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.220 15.211 0.179 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.295 17.483 -0.847 1.00 0.65 C ATOM 0 H VAL A 35 -3.554 17.675 -1.478 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.480 17.128 1.211 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.080 15.852 -1.492 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.092 14.940 -0.416 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.597 14.330 0.331 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.546 15.596 1.145 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.169 17.168 -1.416 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.617 17.940 0.089 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.726 18.209 -1.428 1.00 0.65 H new ATOM 787 N ILE A 36 -2.914 14.800 -0.551 1.00 0.38 N ATOM 788 CA ILE A 36 -2.148 13.553 -0.513 1.00 0.39 C ATOM 789 C ILE A 36 -0.934 13.611 0.425 1.00 0.46 C ATOM 790 O ILE A 36 -0.671 12.656 1.155 1.00 0.51 O ATOM 791 CB ILE A 36 -1.700 13.173 -1.932 1.00 0.42 C ATOM 792 CG1 ILE A 36 -2.895 13.246 -2.891 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.146 11.770 -1.919 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.558 12.982 -4.341 1.00 0.51 C ATOM 0 H ILE A 36 -3.115 15.121 -1.498 1.00 0.38 H new ATOM 0 HA ILE A 36 -2.813 12.789 -0.110 1.00 0.39 H new ATOM 0 HB ILE A 36 -0.930 13.868 -2.268 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.646 12.525 -2.569 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.348 14.234 -2.811 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.827 11.496 -2.924 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.293 11.722 -1.242 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -1.917 11.077 -1.582 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.463 13.055 -4.944 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -1.832 13.718 -4.686 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.135 11.982 -4.440 1.00 0.51 H new ATOM 806 N LYS A 37 -0.206 14.726 0.430 1.00 0.52 N ATOM 807 CA LYS A 37 1.006 14.829 1.248 1.00 0.67 C ATOM 808 C LYS A 37 0.684 14.996 2.732 1.00 0.66 C ATOM 809 O LYS A 37 1.499 14.653 3.587 1.00 0.79 O ATOM 810 CB LYS A 37 1.888 15.993 0.789 1.00 0.91 C ATOM 811 CG LYS A 37 2.507 15.793 -0.584 1.00 0.75 C ATOM 812 CD LYS A 37 3.502 16.895 -0.926 1.00 0.94 C ATOM 813 CE LYS A 37 2.843 18.266 -0.974 1.00 0.70 C ATOM 814 NZ LYS A 37 3.799 19.326 -1.390 1.00 0.97 N ATOM 0 H LYS A 37 -0.427 15.560 -0.113 1.00 0.52 H new ATOM 0 HA LYS A 37 1.547 13.892 1.115 1.00 0.67 H new ATOM 0 HB2 LYS A 37 1.292 16.905 0.778 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.685 16.141 1.518 1.00 0.91 H new ATOM 0 HG2 LYS A 37 3.010 14.827 -0.618 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.719 15.769 -1.337 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.302 16.903 -0.186 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.963 16.681 -1.890 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.003 18.241 -1.669 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.437 18.508 0.008 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.406 20.260 -1.155 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.702 19.195 -0.891 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 3.959 19.266 -2.416 1.00 0.97 H new ATOM 828 N LEU A 38 -0.500 15.510 3.040 1.00 0.63 N ATOM 829 CA LEU A 38 -0.853 15.830 4.423 1.00 0.70 C ATOM 830 C LEU A 38 -1.800 14.790 5.008 1.00 0.65 C ATOM 831 O LEU A 38 -2.250 14.917 6.149 1.00 0.91 O ATOM 832 CB LEU A 38 -1.489 17.225 4.522 1.00 0.82 C ATOM 833 CG LEU A 38 -0.527 18.421 4.419 1.00 1.08 C ATOM 834 CD1 LEU A 38 0.579 18.318 5.456 1.00 2.08 C ATOM 835 CD2 LEU A 38 0.058 18.540 3.019 1.00 1.61 C ATOM 0 H LEU A 38 -1.230 15.714 2.358 1.00 0.63 H new ATOM 0 HA LEU A 38 0.071 15.822 5.001 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.236 17.317 3.733 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.019 17.293 5.472 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.101 19.326 4.620 1.00 1.08 H new ATOM 0 HD11 LEU A 38 1.246 19.175 5.363 1.00 2.08 H new ATOM 0 HD12 LEU A 38 0.142 18.305 6.454 1.00 2.08 H new ATOM 0 HD13 LEU A 38 1.144 17.400 5.296 1.00 2.08 H new ATOM 0 HD21 LEU A 38 0.734 19.394 2.978 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.608 17.631 2.776 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.748 18.680 2.299 1.00 1.61 H new ATOM 847 N ALA A 39 -2.094 13.760 4.236 1.00 0.52 N ATOM 848 CA ALA A 39 -2.988 12.711 4.681 1.00 0.53 C ATOM 849 C ALA A 39 -2.214 11.606 5.385 1.00 0.60 C ATOM 850 O ALA A 39 -1.318 10.994 4.805 1.00 1.03 O ATOM 851 CB ALA A 39 -3.771 12.151 3.504 1.00 0.55 C ATOM 0 H ALA A 39 -1.724 13.629 3.294 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.693 13.138 5.395 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.439 11.363 3.853 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.357 12.947 3.045 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.079 11.740 2.769 1.00 0.55 H new ATOM 857 N GLY A 40 -2.554 11.376 6.644 1.00 0.43 N ATOM 858 CA GLY A 40 -1.971 10.278 7.380 1.00 0.46 C ATOM 859 C GLY A 40 -2.527 8.956 6.904 1.00 0.46 C ATOM 860 O GLY A 40 -3.708 8.869 6.565 1.00 0.84 O ATOM 0 H GLY A 40 -3.227 11.934 7.170 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.888 10.287 7.258 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.173 10.400 8.444 1.00 0.46 H new ATOM 864 N VAL A 41 -1.691 7.932 6.872 1.00 0.44 N ATOM 865 CA VAL A 41 -2.090 6.653 6.304 1.00 0.45 C ATOM 866 C VAL A 41 -1.822 5.510 7.274 1.00 0.36 C ATOM 867 O VAL A 41 -0.755 5.430 7.884 1.00 0.41 O ATOM 868 CB VAL A 41 -1.359 6.369 4.976 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.851 5.071 4.352 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.524 7.524 4.003 1.00 1.30 C ATOM 0 H VAL A 41 -0.736 7.959 7.230 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.161 6.718 6.111 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.297 6.262 5.198 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.320 4.893 3.417 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.665 4.244 5.038 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.920 5.145 4.154 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.998 7.296 3.076 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.583 7.674 3.793 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -1.109 8.431 4.442 1.00 1.30 H new ATOM 880 N THR A 42 -2.809 4.647 7.425 1.00 0.31 N ATOM 881 CA THR A 42 -2.670 3.445 8.221 1.00 0.30 C ATOM 882 C THR A 42 -2.764 2.203 7.337 1.00 0.29 C ATOM 883 O THR A 42 -3.799 1.953 6.717 1.00 0.32 O ATOM 884 CB THR A 42 -3.761 3.383 9.308 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.633 4.507 10.195 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.675 2.084 10.096 1.00 0.45 C ATOM 0 H THR A 42 -3.729 4.761 6.999 1.00 0.31 H new ATOM 0 HA THR A 42 -1.691 3.472 8.700 1.00 0.30 H new ATOM 0 HB THR A 42 -4.734 3.419 8.818 1.00 0.35 H new ATOM 0 HG1 THR A 42 -3.593 4.190 11.121 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.456 2.067 10.856 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.808 1.239 9.420 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.699 2.014 10.577 1.00 0.45 H new ATOM 894 N LYS A 43 -1.674 1.448 7.264 1.00 0.31 N ATOM 895 CA LYS A 43 -1.658 0.192 6.524 1.00 0.35 C ATOM 896 C LYS A 43 -2.109 -0.938 7.440 1.00 0.33 C ATOM 897 O LYS A 43 -1.707 -0.989 8.604 1.00 0.41 O ATOM 898 CB LYS A 43 -0.247 -0.105 5.997 1.00 0.50 C ATOM 899 CG LYS A 43 0.328 0.990 5.111 1.00 0.77 C ATOM 900 CD LYS A 43 -0.436 1.125 3.805 1.00 0.53 C ATOM 901 CE LYS A 43 0.057 2.312 2.997 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.703 2.491 1.733 1.00 0.79 N ATOM 0 H LYS A 43 -0.788 1.685 7.710 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.337 0.274 5.675 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.421 -0.260 6.845 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.270 -1.038 5.434 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.303 1.940 5.646 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.374 0.772 4.898 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.324 0.212 3.220 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.499 1.241 4.014 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.025 3.217 3.599 1.00 0.59 H new ATOM 0 HE3 LYS A 43 1.114 2.178 2.767 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.041 2.521 0.931 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.362 1.696 1.609 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -1.239 3.382 1.773 1.00 0.79 H new ATOM 916 N LYS A 44 -2.954 -1.824 6.935 1.00 0.31 N ATOM 917 CA LYS A 44 -3.451 -2.938 7.733 1.00 0.35 C ATOM 918 C LYS A 44 -3.463 -4.234 6.925 1.00 0.34 C ATOM 919 O LYS A 44 -4.342 -4.447 6.091 1.00 0.47 O ATOM 920 CB LYS A 44 -4.860 -2.642 8.253 1.00 0.44 C ATOM 921 CG LYS A 44 -4.917 -1.488 9.241 1.00 0.90 C ATOM 922 CD LYS A 44 -6.326 -1.251 9.760 1.00 0.88 C ATOM 923 CE LYS A 44 -6.887 -2.477 10.467 1.00 1.39 C ATOM 924 NZ LYS A 44 -6.050 -2.906 11.619 1.00 1.96 N ATOM 0 H LYS A 44 -3.310 -1.795 5.980 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.776 -3.063 8.580 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.510 -2.417 7.407 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.257 -3.538 8.731 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.252 -1.696 10.079 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.550 -0.581 8.760 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.321 -0.406 10.448 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.978 -0.982 8.929 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -7.896 -2.260 10.817 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.966 -3.298 9.755 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -6.535 -3.667 12.136 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -5.133 -3.253 11.272 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -5.896 -2.099 12.256 1.00 1.96 H new ATOM 938 N PHE A 45 -2.488 -5.090 7.192 1.00 0.29 N ATOM 939 CA PHE A 45 -2.406 -6.402 6.559 1.00 0.29 C ATOM 940 C PHE A 45 -2.774 -7.480 7.567 1.00 0.30 C ATOM 941 O PHE A 45 -2.110 -7.634 8.592 1.00 0.37 O ATOM 942 CB PHE A 45 -0.995 -6.680 6.034 1.00 0.32 C ATOM 943 CG PHE A 45 -0.605 -5.894 4.818 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.000 -4.654 4.942 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.824 -6.408 3.549 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.380 -3.942 3.821 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.450 -5.699 2.428 1.00 0.52 C ATOM 948 CZ PHE A 45 0.152 -4.466 2.564 1.00 0.54 C ATOM 0 H PHE A 45 -1.733 -4.898 7.851 1.00 0.29 H new ATOM 0 HA PHE A 45 -3.101 -6.412 5.719 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.280 -6.469 6.829 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.912 -7.742 5.804 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.176 -4.240 5.924 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -1.293 -7.375 3.438 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.854 -2.978 3.927 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.628 -6.108 1.445 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.446 -3.909 1.686 1.00 0.54 H new ATOM 958 N ARG A 46 -3.829 -8.223 7.289 1.00 0.31 N ATOM 959 CA ARG A 46 -4.267 -9.271 8.196 1.00 0.33 C ATOM 960 C ARG A 46 -4.859 -10.445 7.435 1.00 0.31 C ATOM 961 O ARG A 46 -5.101 -10.354 6.239 1.00 0.33 O ATOM 962 CB ARG A 46 -5.295 -8.723 9.192 1.00 0.39 C ATOM 963 CG ARG A 46 -6.500 -8.079 8.530 1.00 0.50 C ATOM 964 CD ARG A 46 -7.553 -7.679 9.549 1.00 0.64 C ATOM 965 NE ARG A 46 -8.126 -8.841 10.231 1.00 1.51 N ATOM 966 CZ ARG A 46 -9.402 -9.220 10.121 1.00 2.03 C ATOM 967 NH1 ARG A 46 -10.248 -8.530 9.362 1.00 1.85 N ATOM 968 NH2 ARG A 46 -9.832 -10.287 10.778 1.00 3.17 N ATOM 0 H ARG A 46 -4.397 -8.122 6.448 1.00 0.31 H new ATOM 0 HA ARG A 46 -3.393 -9.623 8.743 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.635 -9.535 9.834 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.809 -7.990 9.836 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -6.181 -7.199 7.971 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.935 -8.773 7.811 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.109 -7.009 10.285 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -8.347 -7.123 9.051 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.512 -9.396 10.828 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -9.924 -7.704 8.858 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -11.221 -8.826 9.284 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -9.189 -10.817 11.366 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -10.806 -10.578 10.696 1.00 3.17 H new ATOM 982 N ASN A 47 -5.054 -11.548 8.142 1.00 0.33 N ATOM 983 CA ASN A 47 -5.763 -12.709 7.596 1.00 0.37 C ATOM 984 C ASN A 47 -7.130 -12.269 7.075 1.00 0.39 C ATOM 985 O ASN A 47 -7.738 -11.354 7.635 1.00 0.54 O ATOM 986 CB ASN A 47 -5.931 -13.781 8.674 1.00 0.50 C ATOM 987 CG ASN A 47 -4.622 -14.441 9.059 1.00 0.92 C ATOM 988 OD1 ASN A 47 -4.206 -15.428 8.449 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.971 -13.917 10.085 1.00 1.44 N ATOM 0 H ASN A 47 -4.731 -11.669 9.102 1.00 0.33 H new ATOM 0 HA ASN A 47 -5.183 -13.131 6.776 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -6.379 -13.331 9.560 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.625 -14.542 8.317 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -3.092 -14.331 10.397 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -4.348 -13.099 10.564 1.00 1.44 H new ATOM 996 N ALA A 48 -7.620 -12.913 6.015 1.00 0.36 N ATOM 997 CA ALA A 48 -8.819 -12.443 5.321 1.00 0.41 C ATOM 998 C ALA A 48 -10.049 -12.465 6.197 1.00 0.64 C ATOM 999 O ALA A 48 -10.585 -13.540 6.452 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.104 -13.298 4.108 1.00 0.49 C ATOM 0 H ALA A 48 -7.207 -13.758 5.620 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.609 -11.413 5.033 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.000 -12.931 3.607 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.258 -13.250 3.422 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.260 -14.331 4.419 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.469 -11.278 6.639 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.774 -11.055 7.278 1.00 1.18 C ATOM 1008 C ALA A 49 -12.030 -11.951 8.490 1.00 1.17 C ATOM 1009 O ALA A 49 -12.002 -11.493 9.633 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.879 -11.228 6.251 1.00 1.48 C ATOM 0 H ALA A 49 -9.906 -10.430 6.564 1.00 0.83 H new ATOM 0 HA ALA A 49 -11.765 -10.034 7.660 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.846 -11.062 6.726 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -12.742 -10.507 5.445 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.843 -12.239 5.844 1.00 1.48 H new ATOM 1016 N SER A 50 -12.268 -13.224 8.227 1.00 1.12 N ATOM 1017 CA SER A 50 -12.601 -14.181 9.266 1.00 1.50 C ATOM 1018 C SER A 50 -11.336 -14.657 9.969 1.00 1.66 C ATOM 1019 O SER A 50 -11.371 -15.088 11.119 1.00 2.19 O ATOM 1020 CB SER A 50 -13.336 -15.371 8.644 1.00 1.77 C ATOM 1021 OG SER A 50 -14.500 -14.944 7.954 1.00 2.37 O ATOM 0 H SER A 50 -12.236 -13.622 7.289 1.00 1.12 H new ATOM 0 HA SER A 50 -13.247 -13.702 10.002 1.00 1.50 H new ATOM 0 HB2 SER A 50 -12.672 -15.894 7.956 1.00 1.77 H new ATOM 0 HB3 SER A 50 -13.611 -16.081 9.424 1.00 1.77 H new ATOM 0 HG SER A 50 -14.952 -15.721 7.564 1.00 2.37 H new ATOM 1027 N GLY A 51 -10.221 -14.573 9.258 1.00 1.42 N ATOM 1028 CA GLY A 51 -8.956 -15.014 9.805 1.00 1.68 C ATOM 1029 C GLY A 51 -8.410 -16.199 9.042 1.00 1.70 C ATOM 1030 O GLY A 51 -7.747 -17.072 9.603 1.00 1.91 O ATOM 0 H GLY A 51 -10.171 -14.205 8.308 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -8.238 -14.195 9.771 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -9.085 -15.282 10.854 1.00 1.68 H new ATOM 1034 N LYS A 52 -8.684 -16.214 7.749 1.00 1.54 N ATOM 1035 CA LYS A 52 -8.320 -17.315 6.889 1.00 1.60 C ATOM 1036 C LYS A 52 -6.920 -17.096 6.314 1.00 1.44 C ATOM 1037 O LYS A 52 -6.533 -15.959 6.045 1.00 1.37 O ATOM 1038 CB LYS A 52 -9.358 -17.403 5.771 1.00 1.62 C ATOM 1039 CG LYS A 52 -9.120 -18.536 4.801 1.00 1.92 C ATOM 1040 CD LYS A 52 -10.200 -18.596 3.743 1.00 1.94 C ATOM 1041 CE LYS A 52 -9.962 -19.744 2.781 1.00 2.59 C ATOM 1042 NZ LYS A 52 -11.072 -19.883 1.802 1.00 3.17 N ATOM 0 H LYS A 52 -9.168 -15.456 7.268 1.00 1.54 H new ATOM 0 HA LYS A 52 -8.302 -18.248 7.452 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.347 -17.520 6.215 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -9.365 -16.462 5.221 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -8.148 -18.410 4.324 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -9.088 -19.481 5.344 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -11.173 -18.713 4.219 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -10.226 -17.656 3.192 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -9.025 -19.583 2.248 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -9.854 -20.672 3.342 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -10.873 -20.678 1.162 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -11.962 -20.062 2.309 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -11.159 -19.007 1.249 1.00 3.17 H new ATOM 1056 N PRO A 53 -6.132 -18.174 6.149 1.00 1.49 N ATOM 1057 CA PRO A 53 -4.795 -18.092 5.575 1.00 1.40 C ATOM 1058 C PRO A 53 -4.804 -18.217 4.050 1.00 1.15 C ATOM 1059 O PRO A 53 -5.829 -18.550 3.455 1.00 1.15 O ATOM 1060 CB PRO A 53 -4.091 -19.287 6.211 1.00 1.68 C ATOM 1061 CG PRO A 53 -5.165 -20.309 6.379 1.00 1.84 C ATOM 1062 CD PRO A 53 -6.471 -19.560 6.521 1.00 1.76 C ATOM 0 HA PRO A 53 -4.314 -17.133 5.769 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -3.287 -19.658 5.576 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -3.644 -19.020 7.169 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -5.197 -20.980 5.520 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -4.977 -20.925 7.258 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -7.240 -19.972 5.867 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -6.855 -19.617 7.540 1.00 1.76 H new ATOM 1070 N ASP A 54 -3.667 -17.889 3.432 1.00 1.04 N ATOM 1071 CA ASP A 54 -3.469 -18.014 1.975 1.00 0.90 C ATOM 1072 C ASP A 54 -4.305 -16.981 1.216 1.00 0.68 C ATOM 1073 O ASP A 54 -4.230 -16.870 -0.008 1.00 0.97 O ATOM 1074 CB ASP A 54 -3.803 -19.424 1.471 1.00 1.06 C ATOM 1075 CG ASP A 54 -2.994 -20.508 2.156 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -3.584 -21.294 2.928 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -1.767 -20.585 1.921 1.00 1.60 O ATOM 0 H ASP A 54 -2.851 -17.527 3.925 1.00 1.04 H new ATOM 0 HA ASP A 54 -2.412 -17.827 1.783 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.864 -19.617 1.628 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -3.626 -19.471 0.397 1.00 1.06 H new ATOM 1082 N ARG A 55 -5.093 -16.239 1.971 1.00 0.63 N ATOM 1083 CA ARG A 55 -5.861 -15.119 1.479 1.00 0.47 C ATOM 1084 C ARG A 55 -5.974 -14.109 2.601 1.00 0.41 C ATOM 1085 O ARG A 55 -6.276 -14.466 3.740 1.00 0.51 O ATOM 1086 CB ARG A 55 -7.242 -15.551 1.002 1.00 0.64 C ATOM 1087 CG ARG A 55 -7.414 -15.408 -0.496 1.00 1.24 C ATOM 1088 CD ARG A 55 -8.791 -15.844 -0.935 1.00 1.87 C ATOM 1089 NE ARG A 55 -8.988 -15.671 -2.377 1.00 2.57 N ATOM 1090 CZ ARG A 55 -10.077 -16.070 -3.032 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -11.060 -16.680 -2.381 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -10.174 -15.868 -4.340 1.00 4.10 N ATOM 0 H ARG A 55 -5.217 -16.406 2.970 1.00 0.63 H new ATOM 0 HA ARG A 55 -5.358 -14.680 0.618 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -7.411 -16.590 1.286 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.000 -14.954 1.509 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.250 -14.370 -0.785 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -6.660 -16.005 -1.009 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -8.941 -16.891 -0.672 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -9.543 -15.269 -0.395 1.00 1.87 H new ATOM 0 HE ARG A 55 -8.247 -15.218 -2.911 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -10.982 -16.844 -1.377 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -11.893 -16.985 -2.885 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -9.415 -15.408 -4.843 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -11.007 -16.173 -4.843 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.697 -12.861 2.299 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.559 -11.861 3.335 1.00 0.32 C ATOM 1108 C TYR A 56 -6.398 -10.626 3.048 1.00 0.33 C ATOM 1109 O TYR A 56 -7.046 -10.520 2.007 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.080 -11.497 3.503 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.263 -12.613 4.126 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.746 -13.647 3.354 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -3.019 -12.633 5.492 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -2.009 -14.667 3.929 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -2.283 -13.647 6.073 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.779 -14.660 5.289 1.00 0.77 C ATOM 1117 OH TYR A 56 -1.044 -15.670 5.868 1.00 0.97 O ATOM 0 H TYR A 56 -5.563 -12.514 1.349 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.932 -12.282 4.269 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.660 -11.247 2.529 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.999 -10.605 4.124 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.922 -13.654 2.289 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.412 -11.841 6.112 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.616 -15.465 3.316 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -2.104 -13.645 7.138 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.088 -15.494 5.740 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.388 -9.715 4.002 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.165 -8.491 3.946 1.00 0.34 C ATOM 1129 C ASP A 57 -6.230 -7.301 4.118 1.00 0.29 C ATOM 1130 O ASP A 57 -5.329 -7.336 4.960 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.222 -8.515 5.055 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.133 -7.306 5.051 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.758 -6.278 5.646 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.206 -7.361 4.419 1.00 0.99 O ATOM 0 H ASP A 57 -5.831 -9.806 4.852 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.670 -8.405 2.984 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.827 -9.416 4.949 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.721 -8.579 6.021 1.00 0.43 H new ATOM 1139 N MET A 58 -6.433 -6.264 3.323 1.00 0.27 N ATOM 1140 CA MET A 58 -5.544 -5.107 3.335 1.00 0.26 C ATOM 1141 C MET A 58 -6.345 -3.816 3.264 1.00 0.27 C ATOM 1142 O MET A 58 -7.175 -3.636 2.378 1.00 0.33 O ATOM 1143 CB MET A 58 -4.551 -5.185 2.171 1.00 0.30 C ATOM 1144 CG MET A 58 -3.826 -3.880 1.887 1.00 0.51 C ATOM 1145 SD MET A 58 -2.968 -3.219 3.324 1.00 0.98 S ATOM 1146 CE MET A 58 -2.306 -1.718 2.618 1.00 0.36 C ATOM 0 H MET A 58 -7.205 -6.196 2.660 1.00 0.27 H new ATOM 0 HA MET A 58 -4.984 -5.113 4.270 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.814 -5.958 2.387 1.00 0.30 H new ATOM 0 HB3 MET A 58 -5.084 -5.495 1.272 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.107 -4.039 1.084 1.00 0.51 H new ATOM 0 HG3 MET A 58 -4.545 -3.143 1.530 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.388 -0.908 3.343 1.00 0.36 H new ATOM 0 HE2 MET A 58 -1.258 -1.869 2.359 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.868 -1.460 1.720 1.00 0.36 H new ATOM 1156 N GLU A 59 -6.077 -2.915 4.186 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.836 -1.687 4.280 1.00 0.32 C ATOM 1158 C GLU A 59 -5.916 -0.481 4.398 1.00 0.31 C ATOM 1159 O GLU A 59 -4.857 -0.551 5.025 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.803 -1.769 5.470 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.686 -0.545 5.653 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.776 -0.773 6.679 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.449 -0.967 7.865 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.968 -0.761 6.304 1.00 1.11 O ATOM 0 H GLU A 59 -5.338 -3.011 4.882 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.416 -1.560 3.366 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.440 -2.645 5.344 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -7.225 -1.923 6.381 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -8.072 0.301 5.960 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -9.139 -0.280 4.698 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.324 0.615 3.770 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.575 1.862 3.815 1.00 0.42 C ATOM 1173 C ASN A 60 -6.472 2.956 4.361 1.00 0.46 C ATOM 1174 O ASN A 60 -7.190 3.614 3.605 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.075 2.285 2.429 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.203 1.248 1.756 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -2.996 1.219 1.959 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.805 0.410 0.926 1.00 1.02 N ATOM 0 H ASN A 60 -7.180 0.663 3.218 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.707 1.706 4.455 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.933 2.495 1.791 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.513 3.214 2.523 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.260 -0.294 0.427 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.814 0.468 0.785 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.454 3.131 5.668 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.264 4.152 6.300 1.00 0.39 C ATOM 1187 C LEU A 61 -6.483 5.456 6.358 1.00 0.39 C ATOM 1188 O LEU A 61 -5.380 5.498 6.900 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.667 3.708 7.706 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.532 4.703 8.474 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -9.869 4.903 7.774 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -8.737 4.234 9.906 1.00 1.66 C ATOM 0 H LEU A 61 -5.887 2.579 6.312 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.171 4.307 5.715 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -8.205 2.763 7.632 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -6.763 3.515 8.283 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.016 5.663 8.499 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -10.471 5.616 8.337 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -9.699 5.286 6.768 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -10.395 3.950 7.715 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -9.356 4.955 10.440 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -9.232 3.263 9.903 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -7.770 4.148 10.402 1.00 1.66 H new ATOM 1204 N THR A 62 -7.045 6.513 5.794 1.00 0.34 N ATOM 1205 CA THR A 62 -6.363 7.782 5.736 1.00 0.35 C ATOM 1206 C THR A 62 -7.271 8.877 6.267 1.00 0.37 C ATOM 1207 O THR A 62 -8.356 8.593 6.772 1.00 0.43 O ATOM 1208 CB THR A 62 -5.909 8.122 4.297 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.043 8.374 3.460 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.102 6.980 3.702 1.00 0.45 C ATOM 0 H THR A 62 -7.973 6.510 5.371 1.00 0.34 H new ATOM 0 HA THR A 62 -5.470 7.712 6.357 1.00 0.35 H new ATOM 0 HB THR A 62 -5.286 9.015 4.348 1.00 0.36 H new ATOM 0 HG1 THR A 62 -6.798 9.016 2.761 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.793 7.241 2.690 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.219 6.800 4.315 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.714 6.078 3.673 1.00 0.45 H new ATOM 1218 N THR A 63 -6.844 10.117 6.148 1.00 0.42 N ATOM 1219 CA THR A 63 -7.613 11.232 6.665 1.00 0.46 C ATOM 1220 C THR A 63 -8.721 11.633 5.698 1.00 0.46 C ATOM 1221 O THR A 63 -9.735 12.206 6.093 1.00 0.54 O ATOM 1222 CB THR A 63 -6.682 12.426 6.917 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.204 12.953 5.673 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.495 11.978 7.749 1.00 0.50 C ATOM 0 H THR A 63 -5.967 10.379 5.697 1.00 0.42 H new ATOM 0 HA THR A 63 -8.078 10.924 7.602 1.00 0.46 H new ATOM 0 HB THR A 63 -7.240 13.198 7.447 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.746 13.804 5.833 1.00 0.52 H new ATOM 0 HG21 THR A 63 -4.835 12.827 7.927 1.00 0.50 H new ATOM 0 HG22 THR A 63 -5.847 11.585 8.703 1.00 0.50 H new ATOM 0 HG23 THR A 63 -4.950 11.200 7.215 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.521 11.321 4.426 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.445 11.741 3.384 1.00 0.50 C ATOM 1234 C LYS A 64 -10.137 10.556 2.728 1.00 0.49 C ATOM 1235 O LYS A 64 -11.225 10.693 2.170 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.686 12.534 2.315 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.023 13.801 2.836 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.042 14.858 3.238 1.00 0.88 C ATOM 1239 CE LYS A 64 -9.888 15.309 2.055 1.00 1.64 C ATOM 1240 NZ LYS A 64 -10.875 16.352 2.443 1.00 2.24 N ATOM 0 H LYS A 64 -7.726 10.778 4.091 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.209 12.363 3.851 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.923 11.892 1.875 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.378 12.801 1.516 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.398 13.556 3.695 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.364 14.207 2.068 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.691 14.459 4.017 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -8.525 15.718 3.663 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -9.238 15.698 1.272 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -10.413 14.451 1.636 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -11.430 16.632 1.609 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -11.512 15.973 3.172 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -10.373 17.182 2.819 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.511 9.392 2.791 1.00 0.49 N ATOM 1255 CA LYS A 65 -9.958 8.256 2.003 1.00 0.49 C ATOM 1256 C LYS A 65 -10.098 6.988 2.832 1.00 0.52 C ATOM 1257 O LYS A 65 -10.230 7.032 4.057 1.00 1.09 O ATOM 1258 CB LYS A 65 -8.982 8.021 0.848 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.017 9.101 -0.213 1.00 1.18 C ATOM 1260 CD LYS A 65 -10.402 9.242 -0.825 1.00 1.22 C ATOM 1261 CE LYS A 65 -10.909 7.935 -1.414 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.250 8.094 -2.028 1.00 1.82 N ATOM 0 H LYS A 65 -8.696 9.210 3.377 1.00 0.49 H new ATOM 0 HA LYS A 65 -10.949 8.494 1.617 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -7.971 7.951 1.248 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.208 7.061 0.383 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -8.714 10.052 0.225 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -8.295 8.866 -0.995 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.100 9.589 -0.063 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -10.376 10.003 -1.605 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -10.205 7.577 -2.165 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -10.954 7.177 -0.632 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -12.578 7.175 -2.389 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.920 8.444 -1.314 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.194 8.774 -2.813 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.019 5.867 2.129 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.306 4.547 2.680 1.00 0.39 C ATOM 1278 C ASP A 66 -10.275 3.521 1.554 1.00 0.43 C ATOM 1279 O ASP A 66 -10.684 3.822 0.435 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.682 4.521 3.361 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.035 3.160 3.933 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -11.756 2.919 5.129 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -12.577 2.319 3.188 1.00 2.12 O ATOM 0 H ASP A 66 -9.750 5.847 1.145 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.551 4.308 3.429 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.699 5.261 4.161 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -12.444 4.814 2.639 1.00 0.57 H new ATOM 1288 N THR A 67 -9.760 2.338 1.845 1.00 0.35 N ATOM 1289 CA THR A 67 -9.785 1.215 0.914 1.00 0.32 C ATOM 1290 C THR A 67 -9.783 -0.069 1.710 1.00 0.26 C ATOM 1291 O THR A 67 -9.031 -0.188 2.672 1.00 0.30 O ATOM 1292 CB THR A 67 -8.575 1.187 -0.042 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.378 1.511 0.669 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.758 2.137 -1.208 1.00 0.56 C ATOM 0 H THR A 67 -9.311 2.126 2.736 1.00 0.35 H new ATOM 0 HA THR A 67 -10.682 1.325 0.305 1.00 0.32 H new ATOM 0 HB THR A 67 -8.496 0.177 -0.445 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.752 1.963 0.066 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.884 2.088 -1.858 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.647 1.854 -1.772 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.875 3.154 -0.834 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.594 -1.029 1.321 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.691 -2.258 2.077 1.00 0.23 C ATOM 1304 C HIS A 68 -10.583 -3.445 1.140 1.00 0.22 C ATOM 1305 O HIS A 68 -11.588 -4.002 0.703 1.00 0.27 O ATOM 1306 CB HIS A 68 -12.004 -2.308 2.858 1.00 0.32 C ATOM 1307 CG HIS A 68 -12.020 -3.338 3.948 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.995 -3.394 4.919 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.168 -4.354 4.217 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.742 -4.399 5.735 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.640 -4.997 5.330 1.00 1.95 N ATOM 0 H HIS A 68 -11.190 -0.984 0.494 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.871 -2.297 2.794 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -12.194 -1.327 3.294 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.821 -2.512 2.165 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.280 -4.610 3.658 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.337 -4.683 6.590 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.208 -5.808 5.774 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.354 -3.822 0.839 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.089 -4.970 -0.010 1.00 0.26 C ATOM 1322 C HIS A 69 -9.392 -6.239 0.776 1.00 0.29 C ATOM 1323 O HIS A 69 -8.506 -6.807 1.412 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.623 -4.993 -0.464 1.00 0.32 C ATOM 1325 CG HIS A 69 -7.116 -3.712 -1.066 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.862 -2.900 -1.887 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.903 -3.120 -0.964 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -7.129 -1.868 -2.268 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.931 -1.978 -1.724 1.00 0.39 N ATOM 0 H HIS A 69 -8.516 -3.345 1.173 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.721 -4.907 -0.896 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.998 -5.244 0.393 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.499 -5.792 -1.194 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -5.064 -3.482 -0.388 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.456 -1.068 -2.916 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -5.157 -1.325 -1.848 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.646 -6.654 0.765 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.075 -7.796 1.543 1.00 0.37 C ATOM 1340 C LYS A 70 -10.946 -9.101 0.766 1.00 0.31 C ATOM 1341 O LYS A 70 -11.502 -9.248 -0.327 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.511 -7.578 2.001 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.426 -7.064 0.901 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.809 -6.767 1.431 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.826 -5.496 2.264 1.00 1.43 C ATOM 1346 NZ LYS A 70 -16.153 -5.250 2.888 1.00 2.30 N ATOM 0 H LYS A 70 -11.387 -6.212 0.221 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.422 -7.885 2.411 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -12.909 -8.518 2.384 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.517 -6.869 2.829 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.000 -6.161 0.463 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.491 -7.804 0.104 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.505 -6.667 0.598 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.155 -7.605 2.037 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.067 -5.565 3.043 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.560 -4.647 1.634 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -16.117 -4.373 3.446 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.874 -5.158 2.145 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -16.397 -6.047 3.510 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.188 -10.027 1.347 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.053 -11.388 0.827 1.00 0.37 C ATOM 1362 C ASP A 71 -9.353 -11.394 -0.529 1.00 0.33 C ATOM 1363 O ASP A 71 -9.984 -11.549 -1.575 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.430 -12.060 0.735 1.00 0.51 C ATOM 1365 CG ASP A 71 -11.360 -13.517 0.319 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -10.760 -14.325 1.064 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -11.877 -13.855 -0.765 1.00 2.07 O ATOM 0 H ASP A 71 -9.647 -9.856 2.195 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.434 -11.958 1.519 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -11.927 -11.989 1.703 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -12.046 -11.514 0.020 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.045 -11.190 -0.503 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.229 -11.248 -1.708 1.00 0.30 C ATOM 1374 C TRP A 72 -6.048 -12.178 -1.500 1.00 0.31 C ATOM 1375 O TRP A 72 -5.661 -12.461 -0.364 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.709 -9.856 -2.084 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.923 -9.189 -0.988 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.400 -8.284 -0.091 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.530 -9.367 -0.669 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.403 -7.893 0.765 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.247 -8.541 0.428 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.494 -10.142 -1.199 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.980 -8.473 0.999 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.240 -10.061 -0.617 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.000 -9.234 0.465 1.00 0.43 C ATOM 0 H TRP A 72 -7.521 -10.981 0.347 1.00 0.29 H new ATOM 0 HA TRP A 72 -7.855 -11.625 -2.516 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.081 -9.940 -2.971 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.554 -9.222 -2.351 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.418 -7.925 -0.058 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.507 -7.226 1.530 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.668 -10.790 -2.045 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.786 -7.830 1.845 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.432 -10.656 -1.017 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.009 -9.196 0.892 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.484 -12.657 -2.589 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.251 -13.413 -2.534 1.00 0.50 C ATOM 1398 C ALA A 73 -3.240 -12.822 -3.503 1.00 0.48 C ATOM 1399 O ALA A 73 -3.608 -12.137 -4.457 1.00 0.42 O ATOM 1400 CB ALA A 73 -4.518 -14.872 -2.864 1.00 0.55 C ATOM 0 H ALA A 73 -5.863 -12.535 -3.528 1.00 0.41 H new ATOM 0 HA ALA A 73 -3.841 -13.358 -1.525 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -3.584 -15.432 -2.820 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.223 -15.285 -2.143 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -4.939 -14.947 -3.867 1.00 0.55 H new ATOM 1406 N LEU A 74 -1.965 -13.038 -3.240 1.00 0.60 N ATOM 1407 CA LEU A 74 -0.941 -12.664 -4.199 1.00 0.67 C ATOM 1408 C LEU A 74 -1.107 -13.478 -5.483 1.00 0.57 C ATOM 1409 O LEU A 74 -1.544 -14.630 -5.459 1.00 0.56 O ATOM 1410 CB LEU A 74 0.492 -12.786 -3.628 1.00 0.95 C ATOM 1411 CG LEU A 74 0.785 -13.930 -2.638 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.366 -13.555 -1.220 1.00 1.28 C ATOM 1413 CD2 LEU A 74 0.104 -15.213 -3.070 1.00 1.71 C ATOM 0 H LEU A 74 -1.616 -13.465 -2.382 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.078 -11.608 -4.430 1.00 0.67 H new ATOM 0 HB2 LEU A 74 1.178 -12.889 -4.469 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.734 -11.846 -3.132 1.00 0.95 H new ATOM 0 HG LEU A 74 1.862 -14.097 -2.640 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.585 -14.382 -0.545 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.916 -12.670 -0.900 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -0.703 -13.344 -1.200 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.328 -16.003 -2.353 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -0.974 -15.056 -3.112 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.467 -15.504 -4.056 1.00 1.71 H new ATOM 1425 N GLY A 75 -0.773 -12.859 -6.592 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.046 -13.441 -7.890 1.00 0.56 C ATOM 1427 C GLY A 75 -2.523 -13.374 -8.242 1.00 0.51 C ATOM 1428 O GLY A 75 -2.958 -13.937 -9.249 1.00 0.59 O ATOM 0 H GLY A 75 -0.311 -11.950 -6.623 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.467 -12.918 -8.651 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.718 -14.480 -7.898 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.301 -12.690 -7.407 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.733 -12.581 -7.619 1.00 0.40 C ATOM 1434 C GLU A 76 -5.123 -11.132 -7.914 1.00 0.36 C ATOM 1435 O GLU A 76 -4.472 -10.191 -7.455 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.479 -13.130 -6.398 1.00 0.44 C ATOM 1437 CG GLU A 76 -6.976 -13.284 -6.586 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.613 -14.073 -5.463 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.867 -13.494 -4.388 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -7.866 -15.282 -5.652 1.00 1.59 O ATOM 0 H GLU A 76 -2.959 -12.204 -6.578 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.016 -13.176 -8.487 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.057 -14.101 -6.138 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.299 -12.468 -5.551 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.437 -12.298 -6.642 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.172 -13.782 -7.535 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.188 -10.980 -8.685 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.621 -9.688 -9.197 1.00 0.43 C ATOM 1449 C GLU A 77 -8.117 -9.517 -8.940 1.00 0.44 C ATOM 1450 O GLU A 77 -8.920 -10.351 -9.369 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.332 -9.644 -10.700 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.785 -8.378 -11.404 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.711 -8.519 -12.912 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.637 -8.241 -13.479 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.725 -8.900 -13.537 1.00 0.90 O ATOM 0 H GLU A 77 -6.782 -11.756 -8.976 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.087 -8.880 -8.697 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.259 -9.762 -10.852 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.817 -10.498 -11.173 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.808 -8.144 -11.110 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.163 -7.542 -11.086 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.490 -8.451 -8.249 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.879 -8.253 -7.846 1.00 0.41 C ATOM 1464 C PHE A 78 -10.349 -6.827 -8.126 1.00 0.42 C ATOM 1465 O PHE A 78 -9.539 -5.922 -8.330 1.00 0.42 O ATOM 1466 CB PHE A 78 -10.031 -8.573 -6.354 1.00 0.44 C ATOM 1467 CG PHE A 78 -9.214 -7.695 -5.450 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.880 -7.977 -5.212 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.779 -6.587 -4.842 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -7.126 -7.172 -4.384 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -9.031 -5.779 -4.014 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.708 -6.075 -3.776 1.00 0.52 C ATOM 0 H PHE A 78 -7.854 -7.710 -7.955 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.502 -8.927 -8.434 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -11.082 -8.481 -6.079 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.748 -9.612 -6.186 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.424 -8.837 -5.680 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.818 -6.353 -5.019 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -6.084 -7.398 -4.211 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -9.483 -4.914 -3.552 1.00 0.57 H new ATOM 0 HZ PHE A 78 -7.125 -5.451 -3.115 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.665 -6.649 -8.150 1.00 0.46 N ATOM 1483 CA GLN A 79 -12.280 -5.335 -8.311 1.00 0.51 C ATOM 1484 C GLN A 79 -12.380 -4.649 -6.951 1.00 0.50 C ATOM 1485 O GLN A 79 -12.817 -5.262 -5.976 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.672 -5.493 -8.934 1.00 0.62 C ATOM 1487 CG GLN A 79 -14.419 -4.186 -9.158 1.00 1.00 C ATOM 1488 CD GLN A 79 -15.849 -4.419 -9.608 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -16.463 -5.430 -9.261 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -16.393 -3.488 -10.374 1.00 1.94 N ATOM 0 H GLN A 79 -12.337 -7.411 -8.058 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.668 -4.721 -8.971 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.571 -6.007 -9.890 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -14.273 -6.134 -8.289 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -14.419 -3.606 -8.235 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -13.895 -3.593 -9.907 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.851 -2.665 -10.639 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -17.354 -3.593 -10.699 1.00 1.94 H new ATOM 1499 N ASP A 80 -12.011 -3.379 -6.890 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.882 -2.693 -5.609 1.00 0.49 C ATOM 1501 C ASP A 80 -12.333 -1.239 -5.712 1.00 0.52 C ATOM 1502 O ASP A 80 -12.318 -0.644 -6.802 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.423 -2.758 -5.148 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.214 -2.255 -3.733 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.374 -3.053 -2.781 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -9.845 -1.077 -3.565 1.00 1.26 O ATOM 0 H ASP A 80 -11.796 -2.804 -7.705 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.524 -3.190 -4.881 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.075 -3.789 -5.214 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.808 -2.170 -5.829 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.734 -0.671 -4.577 1.00 0.53 N ATOM 1512 CA GLU A 81 -13.094 0.729 -4.504 1.00 0.65 C ATOM 1513 C GLU A 81 -11.860 1.504 -4.083 1.00 0.63 C ATOM 1514 O GLU A 81 -11.607 1.724 -2.896 1.00 0.82 O ATOM 1515 CB GLU A 81 -14.242 0.945 -3.518 1.00 0.81 C ATOM 1516 CG GLU A 81 -14.765 2.367 -3.511 1.00 1.64 C ATOM 1517 CD GLU A 81 -16.079 2.503 -2.773 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -17.110 2.006 -3.270 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -16.086 3.110 -1.684 1.00 1.81 O ATOM 0 H GLU A 81 -12.816 -1.171 -3.692 1.00 0.53 H new ATOM 0 HA GLU A 81 -13.441 1.080 -5.476 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -15.058 0.266 -3.766 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.904 0.684 -2.515 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -14.024 3.020 -3.049 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -14.893 2.708 -4.538 1.00 1.64 H new ATOM 1526 N ALA A 82 -11.104 1.905 -5.082 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.743 2.368 -4.899 1.00 0.67 C ATOM 1528 C ALA A 82 -9.629 3.674 -4.128 1.00 0.60 C ATOM 1529 O ALA A 82 -10.599 4.405 -3.922 1.00 0.59 O ATOM 1530 CB ALA A 82 -9.088 2.507 -6.247 1.00 0.95 C ATOM 0 H ALA A 82 -11.418 1.919 -6.052 1.00 0.61 H new ATOM 0 HA ALA A 82 -9.235 1.620 -4.290 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -8.063 2.855 -6.119 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -9.083 1.540 -6.750 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -9.643 3.226 -6.849 1.00 0.95 H new ATOM 1536 N LEU A 83 -8.392 3.944 -3.729 1.00 0.60 N ATOM 1537 CA LEU A 83 -8.055 5.075 -2.887 1.00 0.58 C ATOM 1538 C LEU A 83 -8.167 6.372 -3.671 1.00 0.59 C ATOM 1539 O LEU A 83 -8.441 7.429 -3.107 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.629 4.887 -2.361 1.00 0.66 C ATOM 1541 CG LEU A 83 -6.281 5.629 -1.070 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -7.149 5.141 0.081 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -4.812 5.426 -0.741 1.00 1.34 C ATOM 0 H LEU A 83 -7.587 3.373 -3.987 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.750 5.130 -2.049 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -6.461 3.822 -2.200 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.933 5.205 -3.137 1.00 0.66 H new ATOM 0 HG LEU A 83 -6.472 6.692 -1.216 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.885 5.682 0.990 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -8.199 5.317 -0.155 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -6.986 4.074 0.233 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.569 5.956 0.180 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -4.612 4.362 -0.611 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.200 5.813 -1.556 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.955 6.276 -4.976 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.068 7.430 -5.866 1.00 0.67 C ATOM 1557 C ASP A 84 -9.521 7.690 -6.279 1.00 0.69 C ATOM 1558 O ASP A 84 -9.784 8.251 -7.343 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.161 7.256 -7.096 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.523 6.064 -7.968 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.358 4.907 -7.513 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -7.943 6.276 -9.127 1.00 1.39 O ATOM 0 H ASP A 84 -7.702 5.407 -5.447 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.731 8.308 -5.315 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.207 8.162 -7.700 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.129 7.148 -6.761 1.00 0.70 H new ATOM 1567 N SER A 85 -10.453 7.274 -5.417 1.00 0.67 N ATOM 1568 CA SER A 85 -11.874 7.598 -5.557 1.00 0.74 C ATOM 1569 C SER A 85 -12.471 7.030 -6.843 1.00 0.77 C ATOM 1570 O SER A 85 -13.378 7.619 -7.436 1.00 1.09 O ATOM 1571 CB SER A 85 -12.084 9.116 -5.497 1.00 0.84 C ATOM 1572 OG SER A 85 -11.674 9.638 -4.241 1.00 1.21 O ATOM 0 H SER A 85 -10.242 6.701 -4.600 1.00 0.67 H new ATOM 0 HA SER A 85 -12.396 7.130 -4.723 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.520 9.597 -6.296 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.136 9.348 -5.665 1.00 0.84 H new ATOM 0 HG SER A 85 -11.816 10.608 -4.228 1.00 1.21 H new ATOM 1578 N THR A 86 -11.977 5.878 -7.255 1.00 0.67 N ATOM 1579 CA THR A 86 -12.455 5.236 -8.462 1.00 0.67 C ATOM 1580 C THR A 86 -12.761 3.771 -8.199 1.00 0.66 C ATOM 1581 O THR A 86 -12.493 3.257 -7.113 1.00 0.76 O ATOM 1582 CB THR A 86 -11.417 5.335 -9.589 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.141 4.915 -9.100 1.00 0.86 O ATOM 1584 CG2 THR A 86 -11.327 6.751 -10.127 1.00 0.93 C ATOM 0 H THR A 86 -11.241 5.366 -6.768 1.00 0.67 H new ATOM 0 HA THR A 86 -13.365 5.752 -8.770 1.00 0.67 H new ATOM 0 HB THR A 86 -11.729 4.684 -10.406 1.00 0.76 H new ATOM 0 HG1 THR A 86 -9.436 5.441 -9.532 1.00 0.86 H new ATOM 0 HG21 THR A 86 -10.584 6.791 -10.924 1.00 0.93 H new ATOM 0 HG22 THR A 86 -12.298 7.053 -10.520 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.034 7.427 -9.324 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.319 3.103 -9.191 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.644 1.694 -9.070 1.00 0.76 C ATOM 1594 C GLN A 87 -12.896 0.927 -10.136 1.00 0.66 C ATOM 1595 O GLN A 87 -13.306 0.924 -11.291 1.00 0.89 O ATOM 1596 CB GLN A 87 -15.143 1.477 -9.264 1.00 1.02 C ATOM 1597 CG GLN A 87 -16.004 2.465 -8.505 1.00 0.98 C ATOM 1598 CD GLN A 87 -15.928 2.298 -7.002 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.036 3.271 -6.255 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.765 1.068 -6.541 1.00 1.33 N ATOM 0 H GLN A 87 -13.557 3.515 -10.093 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.359 1.346 -8.077 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.377 1.546 -10.326 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.399 0.466 -8.946 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.698 3.478 -8.767 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -17.040 2.353 -8.824 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -15.679 0.287 -7.191 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.725 0.901 -5.535 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.813 0.274 -9.762 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.986 -0.406 -10.748 1.00 0.53 C ATOM 1611 C HIS A 88 -10.360 -1.654 -10.168 1.00 0.49 C ATOM 1612 O HIS A 88 -10.528 -1.947 -8.987 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.911 0.511 -11.332 1.00 0.63 C ATOM 1614 CG HIS A 88 -9.017 1.183 -10.341 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.099 0.515 -9.560 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.891 2.489 -10.035 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.445 1.388 -8.817 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.905 2.596 -9.088 1.00 0.97 N ATOM 0 H HIS A 88 -11.486 0.198 -8.799 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.646 -0.697 -11.565 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.292 -0.074 -12.012 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.402 1.280 -11.929 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.462 3.302 -10.458 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.665 1.154 -8.107 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.581 3.465 -8.663 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.633 -2.386 -10.999 1.00 0.49 N ATOM 1628 CA LYS A 89 -9.087 -3.652 -10.577 1.00 0.49 C ATOM 1629 C LYS A 89 -7.757 -3.446 -9.875 1.00 0.45 C ATOM 1630 O LYS A 89 -7.060 -2.448 -10.102 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.932 -4.603 -11.767 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.769 -4.268 -12.682 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.576 -5.349 -13.725 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.304 -5.132 -14.519 1.00 1.15 C ATOM 1635 NZ LYS A 89 -6.014 -6.278 -15.421 1.00 1.49 N ATOM 0 H LYS A 89 -9.413 -2.122 -11.959 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.782 -4.108 -9.872 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.804 -5.619 -11.392 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.853 -4.592 -12.349 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.950 -3.312 -13.172 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.858 -4.157 -12.094 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -7.541 -6.324 -13.238 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -8.431 -5.361 -14.401 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -6.395 -4.219 -15.108 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -5.468 -4.988 -13.834 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -5.174 -6.063 -15.996 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -5.836 -7.131 -14.853 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -6.829 -6.443 -16.046 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.430 -4.379 -9.009 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.208 -4.332 -8.245 1.00 0.35 C ATOM 1651 C ILE A 90 -5.603 -5.722 -8.141 1.00 0.34 C ATOM 1652 O ILE A 90 -6.316 -6.706 -7.947 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.467 -3.754 -6.842 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.709 -2.246 -6.946 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.311 -4.068 -5.911 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.051 -1.587 -5.633 1.00 0.54 C ATOM 0 H ILE A 90 -8.009 -5.196 -8.815 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.503 -3.679 -8.759 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.358 -4.219 -6.420 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.817 -1.773 -7.357 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.519 -2.066 -7.653 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.514 -3.651 -4.925 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.192 -5.148 -5.830 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.395 -3.631 -6.308 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.207 -0.520 -5.791 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.961 -2.031 -5.229 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.232 -1.733 -4.928 1.00 0.54 H new ATOM 1668 N THR A 91 -4.295 -5.800 -8.301 1.00 0.30 N ATOM 1669 CA THR A 91 -3.590 -7.062 -8.237 1.00 0.30 C ATOM 1670 C THR A 91 -2.491 -7.010 -7.180 1.00 0.28 C ATOM 1671 O THR A 91 -1.822 -5.988 -7.019 1.00 0.31 O ATOM 1672 CB THR A 91 -2.969 -7.395 -9.605 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.941 -7.182 -10.634 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.476 -8.834 -9.661 1.00 0.37 C ATOM 0 H THR A 91 -3.696 -4.994 -8.478 1.00 0.30 H new ATOM 0 HA THR A 91 -4.306 -7.838 -7.967 1.00 0.30 H new ATOM 0 HB THR A 91 -2.111 -6.739 -9.756 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.546 -7.392 -11.506 1.00 0.43 H new ATOM 0 HG21 THR A 91 -2.044 -9.033 -10.642 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.719 -8.989 -8.893 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.312 -9.512 -9.489 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.320 -8.102 -6.462 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.216 -8.237 -5.527 1.00 0.33 C ATOM 1684 C PHE A 92 -0.276 -9.303 -6.044 1.00 0.39 C ATOM 1685 O PHE A 92 -0.710 -10.225 -6.723 1.00 0.50 O ATOM 1686 CB PHE A 92 -1.700 -8.615 -4.125 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.289 -7.475 -3.342 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.602 -7.094 -3.534 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.528 -6.795 -2.398 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -4.151 -6.058 -2.805 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -2.073 -5.755 -1.666 1.00 0.46 C ATOM 1692 CZ PHE A 92 -3.386 -5.389 -1.871 1.00 0.52 C ATOM 0 H PHE A 92 -2.935 -8.915 -6.507 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.708 -7.276 -5.449 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.447 -9.404 -4.212 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -0.862 -9.030 -3.564 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.207 -7.613 -4.263 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.500 -7.082 -2.234 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -5.180 -5.771 -2.966 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.472 -5.232 -0.937 1.00 0.46 H new ATOM 0 HZ PHE A 92 -3.816 -4.579 -1.301 1.00 0.52 H new ATOM 1702 N ASP A 93 1.003 -9.174 -5.749 1.00 0.37 N ATOM 1703 CA ASP A 93 1.972 -10.172 -6.175 1.00 0.43 C ATOM 1704 C ASP A 93 3.190 -10.167 -5.273 1.00 0.36 C ATOM 1705 O ASP A 93 3.757 -9.109 -4.982 1.00 0.39 O ATOM 1706 CB ASP A 93 2.395 -9.927 -7.628 1.00 0.58 C ATOM 1707 CG ASP A 93 3.424 -10.929 -8.118 1.00 0.80 C ATOM 1708 OD1 ASP A 93 4.484 -10.504 -8.622 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.185 -12.148 -7.976 1.00 1.24 O ATOM 0 H ASP A 93 1.396 -8.395 -5.220 1.00 0.37 H new ATOM 0 HA ASP A 93 1.496 -11.150 -6.106 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.516 -9.973 -8.270 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.803 -8.920 -7.718 1.00 0.58 H new ATOM 1714 N LEU A 94 3.575 -11.346 -4.813 1.00 0.42 N ATOM 1715 CA LEU A 94 4.794 -11.499 -4.042 1.00 0.51 C ATOM 1716 C LEU A 94 5.961 -11.584 -5.011 1.00 0.56 C ATOM 1717 O LEU A 94 6.156 -12.608 -5.670 1.00 0.63 O ATOM 1718 CB LEU A 94 4.736 -12.758 -3.167 1.00 0.61 C ATOM 1719 CG LEU A 94 4.982 -12.539 -1.667 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.344 -11.916 -1.415 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.887 -11.676 -1.067 1.00 1.12 C ATOM 0 H LEU A 94 3.058 -12.213 -4.962 1.00 0.42 H new ATOM 0 HA LEU A 94 4.916 -10.644 -3.377 1.00 0.51 H new ATOM 0 HB2 LEU A 94 3.757 -13.220 -3.292 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.474 -13.470 -3.537 1.00 0.61 H new ATOM 0 HG LEU A 94 4.964 -13.515 -1.182 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.487 -11.774 -0.344 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.122 -12.574 -1.801 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.402 -10.952 -1.919 1.00 1.02 H new ATOM 0 HD21 LEU A 94 4.079 -11.532 -0.004 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.872 -10.708 -1.567 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.923 -12.168 -1.199 1.00 1.12 H new ATOM 1733 N LYS A 95 6.731 -10.516 -5.090 1.00 0.58 N ATOM 1734 CA LYS A 95 7.775 -10.409 -6.091 1.00 0.66 C ATOM 1735 C LYS A 95 9.033 -11.082 -5.576 1.00 0.69 C ATOM 1736 O LYS A 95 9.555 -12.017 -6.184 1.00 0.78 O ATOM 1737 CB LYS A 95 8.049 -8.935 -6.403 1.00 0.70 C ATOM 1738 CG LYS A 95 9.135 -8.719 -7.440 1.00 0.91 C ATOM 1739 CD LYS A 95 9.488 -7.247 -7.574 1.00 1.61 C ATOM 1740 CE LYS A 95 10.627 -7.036 -8.556 1.00 2.08 C ATOM 1741 NZ LYS A 95 11.831 -7.827 -8.188 1.00 3.03 N ATOM 0 H LYS A 95 6.653 -9.709 -4.472 1.00 0.58 H new ATOM 0 HA LYS A 95 7.455 -10.903 -7.008 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.127 -8.470 -6.754 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.333 -8.425 -5.482 1.00 0.70 H new ATOM 0 HG2 LYS A 95 10.024 -9.284 -7.161 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.802 -9.104 -8.404 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.612 -6.690 -7.906 1.00 1.61 H new ATOM 0 HD3 LYS A 95 9.768 -6.849 -6.599 1.00 1.61 H new ATOM 0 HE2 LYS A 95 10.300 -7.317 -9.557 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.885 -5.978 -8.591 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 12.663 -7.441 -8.678 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 11.979 -7.775 -7.160 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 11.694 -8.819 -8.469 1.00 3.03 H new ATOM 1755 N ASP A 96 9.493 -10.604 -4.436 1.00 0.65 N ATOM 1756 CA ASP A 96 10.656 -11.157 -3.772 1.00 0.70 C ATOM 1757 C ASP A 96 10.285 -11.421 -2.321 1.00 0.65 C ATOM 1758 O ASP A 96 9.273 -10.901 -1.849 1.00 0.60 O ATOM 1759 CB ASP A 96 11.833 -10.174 -3.849 1.00 0.76 C ATOM 1760 CG ASP A 96 12.168 -9.758 -5.268 1.00 1.09 C ATOM 1761 OD1 ASP A 96 12.029 -8.560 -5.593 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.566 -10.630 -6.069 1.00 1.79 O ATOM 0 H ASP A 96 9.069 -9.818 -3.943 1.00 0.65 H new ATOM 0 HA ASP A 96 10.962 -12.083 -4.259 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.596 -9.286 -3.263 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.711 -10.632 -3.394 1.00 0.76 H new ATOM 1767 N PRO A 97 11.085 -12.216 -1.585 1.00 0.73 N ATOM 1768 CA PRO A 97 10.778 -12.595 -0.196 1.00 0.76 C ATOM 1769 C PRO A 97 10.827 -11.412 0.774 1.00 0.66 C ATOM 1770 O PRO A 97 10.754 -11.591 1.989 1.00 0.73 O ATOM 1771 CB PRO A 97 11.868 -13.619 0.156 1.00 0.91 C ATOM 1772 CG PRO A 97 12.459 -14.026 -1.151 1.00 0.98 C ATOM 1773 CD PRO A 97 12.342 -12.826 -2.040 1.00 0.87 C ATOM 0 HA PRO A 97 9.763 -12.984 -0.110 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.622 -13.182 0.810 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.448 -14.476 0.682 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.500 -14.326 -1.033 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.927 -14.879 -1.573 1.00 0.98 H new ATOM 0 HD2 PRO A 97 13.188 -12.149 -1.922 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.301 -13.103 -3.093 1.00 0.87 H new ATOM 1781 N ASN A 98 10.965 -10.210 0.230 1.00 0.57 N ATOM 1782 CA ASN A 98 10.915 -8.986 1.015 1.00 0.55 C ATOM 1783 C ASN A 98 10.266 -7.878 0.184 1.00 0.46 C ATOM 1784 O ASN A 98 10.523 -6.695 0.388 1.00 0.50 O ATOM 1785 CB ASN A 98 12.322 -8.568 1.458 1.00 0.68 C ATOM 1786 CG ASN A 98 12.321 -7.418 2.455 1.00 1.38 C ATOM 1787 OD1 ASN A 98 11.411 -7.285 3.277 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.335 -6.569 2.378 1.00 1.91 N ATOM 0 H ASN A 98 11.115 -10.057 -0.767 1.00 0.57 H new ATOM 0 HA ASN A 98 10.319 -9.162 1.911 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.825 -9.426 1.904 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.901 -8.279 0.581 1.00 0.68 H new ATOM 0 HD21 ASN A 98 13.382 -5.772 3.012 1.00 1.91 H new ATOM 0 HD22 ASN A 98 14.069 -6.713 1.684 1.00 1.91 H new ATOM 1795 N THR A 99 9.433 -8.268 -0.777 1.00 0.43 N ATOM 1796 CA THR A 99 8.766 -7.295 -1.631 1.00 0.39 C ATOM 1797 C THR A 99 7.418 -7.808 -2.144 1.00 0.33 C ATOM 1798 O THR A 99 7.355 -8.650 -3.044 1.00 0.37 O ATOM 1799 CB THR A 99 9.636 -6.907 -2.844 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.958 -6.547 -2.412 1.00 0.56 O ATOM 1801 CG2 THR A 99 9.009 -5.736 -3.591 1.00 0.51 C ATOM 0 H THR A 99 9.207 -9.241 -0.981 1.00 0.43 H new ATOM 0 HA THR A 99 8.601 -6.417 -1.006 1.00 0.39 H new ATOM 0 HB THR A 99 9.698 -7.766 -3.512 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.502 -6.304 -3.190 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.634 -5.473 -4.445 1.00 0.51 H new ATOM 0 HG22 THR A 99 8.016 -6.018 -3.941 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.929 -4.879 -2.922 1.00 0.51 H new ATOM 1809 N LEU A 100 6.352 -7.303 -1.551 1.00 0.28 N ATOM 1810 CA LEU A 100 5.002 -7.508 -2.063 1.00 0.26 C ATOM 1811 C LEU A 100 4.642 -6.317 -2.951 1.00 0.27 C ATOM 1812 O LEU A 100 5.177 -5.239 -2.761 1.00 0.34 O ATOM 1813 CB LEU A 100 4.024 -7.643 -0.884 1.00 0.28 C ATOM 1814 CG LEU A 100 2.535 -7.474 -1.209 1.00 0.45 C ATOM 1815 CD1 LEU A 100 2.043 -8.587 -2.114 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.717 -7.430 0.072 1.00 1.10 C ATOM 0 H LEU A 100 6.393 -6.739 -0.702 1.00 0.28 H new ATOM 0 HA LEU A 100 4.942 -8.422 -2.653 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.166 -8.625 -0.434 1.00 0.28 H new ATOM 0 HB3 LEU A 100 4.295 -6.904 -0.130 1.00 0.28 H new ATOM 0 HG LEU A 100 2.409 -6.530 -1.739 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.984 -8.441 -2.328 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.607 -8.573 -3.047 1.00 1.10 H new ATOM 0 HD13 LEU A 100 2.184 -9.548 -1.619 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.662 -7.310 -0.174 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.857 -8.359 0.625 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.045 -6.590 0.684 1.00 1.10 H new ATOM 1828 N THR A 101 3.783 -6.497 -3.939 1.00 0.29 N ATOM 1829 CA THR A 101 3.403 -5.385 -4.804 1.00 0.31 C ATOM 1830 C THR A 101 1.891 -5.270 -4.936 1.00 0.30 C ATOM 1831 O THR A 101 1.190 -6.280 -5.024 1.00 0.31 O ATOM 1832 CB THR A 101 4.028 -5.527 -6.204 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.865 -6.870 -6.684 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.503 -5.167 -6.177 1.00 0.41 C ATOM 0 H THR A 101 3.339 -7.387 -4.163 1.00 0.29 H new ATOM 0 HA THR A 101 3.784 -4.478 -4.334 1.00 0.31 H new ATOM 0 HB THR A 101 3.515 -4.839 -6.876 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.999 -7.500 -5.945 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.922 -5.275 -7.177 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.620 -4.136 -5.844 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.027 -5.832 -5.490 1.00 0.41 H new ATOM 1842 N GLU A 102 1.400 -4.038 -4.928 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.016 -3.771 -5.141 1.00 0.33 C ATOM 1844 C GLU A 102 -0.184 -2.943 -6.410 1.00 0.35 C ATOM 1845 O GLU A 102 0.170 -1.761 -6.447 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.622 -3.041 -3.935 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.130 -2.842 -4.024 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.713 -2.120 -2.815 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -2.251 -2.385 -1.679 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.624 -1.287 -2.991 1.00 0.98 O ATOM 0 H GLU A 102 1.966 -3.203 -4.775 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.545 -4.717 -5.254 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.393 -3.604 -3.030 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.143 -2.067 -3.834 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.362 -2.274 -4.925 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.613 -3.814 -4.126 1.00 0.56 H new ATOM 1857 N THR A 103 -0.705 -3.572 -7.448 1.00 0.36 N ATOM 1858 CA THR A 103 -0.846 -2.933 -8.741 1.00 0.39 C ATOM 1859 C THR A 103 -2.286 -2.493 -8.974 1.00 0.39 C ATOM 1860 O THR A 103 -3.208 -3.309 -8.976 1.00 0.42 O ATOM 1861 CB THR A 103 -0.398 -3.883 -9.867 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.978 -4.243 -9.671 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.568 -3.239 -11.237 1.00 0.46 C ATOM 0 H THR A 103 -1.040 -4.535 -7.418 1.00 0.36 H new ATOM 0 HA THR A 103 -0.207 -2.050 -8.750 1.00 0.39 H new ATOM 0 HB THR A 103 -1.025 -4.774 -9.831 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.263 -4.849 -10.387 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.243 -3.936 -12.009 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.617 -2.988 -11.393 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.034 -2.332 -11.290 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.471 -1.197 -9.146 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.784 -0.631 -9.391 1.00 0.45 C ATOM 1873 C HIS A 104 -3.959 -0.360 -10.879 1.00 0.40 C ATOM 1874 O HIS A 104 -3.168 0.372 -11.470 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.960 0.688 -8.631 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.560 0.658 -7.186 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -3.052 1.757 -6.523 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.628 -0.330 -6.266 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.827 1.443 -5.264 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.169 0.184 -5.082 1.00 1.69 N ATOM 0 H HIS A 104 -1.718 -0.510 -9.120 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.530 -1.347 -9.046 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.377 1.459 -9.136 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -5.006 0.987 -8.694 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -3.979 -1.338 -6.433 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -2.430 2.105 -4.509 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -3.103 -0.326 -4.201 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.975 -0.952 -11.490 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.266 -0.680 -12.889 1.00 0.52 C ATOM 1891 C ILE A 105 -6.695 -0.198 -13.076 1.00 0.54 C ATOM 1892 O ILE A 105 -7.657 -0.897 -12.735 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.017 -1.908 -13.776 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.523 -2.207 -13.822 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.565 -1.680 -15.183 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.175 -3.392 -14.679 1.00 0.75 C ATOM 0 H ILE A 105 -5.606 -1.618 -11.044 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.583 0.111 -13.197 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.539 -2.765 -13.351 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.996 -1.330 -14.198 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.165 -2.384 -12.808 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.377 -2.563 -15.794 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.638 -1.497 -15.130 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -5.071 -0.817 -15.630 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.096 -3.546 -14.666 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.674 -4.280 -14.291 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.503 -3.210 -15.702 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.811 1.017 -13.591 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.104 1.606 -13.908 1.00 0.63 C ATOM 1910 C LYS A 106 -8.832 0.793 -14.973 1.00 0.67 C ATOM 1911 O LYS A 106 -8.390 0.699 -16.114 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.932 3.055 -14.368 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.505 4.006 -13.258 1.00 0.81 C ATOM 1914 CD LYS A 106 -7.378 5.434 -13.769 1.00 1.05 C ATOM 1915 CE LYS A 106 -7.216 6.438 -12.634 1.00 1.47 C ATOM 1916 NZ LYS A 106 -5.963 6.226 -11.861 1.00 1.61 N ATOM 0 H LYS A 106 -6.016 1.620 -13.800 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.710 1.595 -13.002 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.191 3.087 -15.166 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.873 3.406 -14.792 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -8.233 3.971 -12.447 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.551 3.680 -12.844 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.521 5.504 -14.439 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -8.262 5.689 -14.354 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -7.220 7.448 -13.043 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -8.071 6.363 -11.962 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -5.714 7.101 -11.357 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -6.105 5.458 -11.174 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -5.193 5.970 -12.511 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.937 0.188 -14.564 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.768 -0.608 -15.459 1.00 0.78 C ATOM 1932 C VAL A 107 -11.290 0.214 -16.641 1.00 0.86 C ATOM 1933 O VAL A 107 -11.645 -0.337 -17.684 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.950 -1.241 -14.718 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.468 -2.325 -13.770 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.699 -0.176 -13.972 1.00 1.11 C ATOM 0 H VAL A 107 -10.283 0.234 -13.606 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.126 -1.400 -15.844 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.620 -1.705 -15.442 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.322 -2.762 -13.253 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -10.951 -3.100 -14.336 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.785 -1.892 -13.039 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.540 -0.625 -13.444 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.033 0.302 -13.253 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -13.068 0.570 -14.676 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.331 1.532 -16.475 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.801 2.423 -17.526 1.00 1.00 C ATOM 1948 C ASP A 108 -10.661 2.790 -18.470 1.00 0.97 C ATOM 1949 O ASP A 108 -10.865 2.953 -19.675 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.413 3.689 -16.920 1.00 1.05 C ATOM 1951 CG ASP A 108 -11.396 4.538 -16.181 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -11.072 5.642 -16.667 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -10.909 4.101 -15.117 1.00 2.50 O ATOM 0 H ASP A 108 -11.043 2.006 -15.619 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.569 1.901 -18.097 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.868 4.283 -17.713 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -13.212 3.408 -16.234 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.459 2.911 -17.920 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.274 3.223 -18.705 1.00 0.92 C ATOM 1960 C ASP A 109 -7.055 2.574 -18.075 1.00 0.84 C ATOM 1961 O ASP A 109 -6.421 3.128 -17.176 1.00 0.85 O ATOM 1962 CB ASP A 109 -8.067 4.733 -18.820 1.00 1.03 C ATOM 1963 CG ASP A 109 -6.801 5.078 -19.575 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -5.794 5.427 -18.927 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -6.804 4.989 -20.820 1.00 1.94 O ATOM 0 H ASP A 109 -9.280 2.796 -16.922 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.416 2.827 -19.711 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.923 5.178 -19.326 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -8.024 5.170 -17.822 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.727 1.374 -18.546 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.665 0.551 -17.971 1.00 0.78 C ATOM 1972 C PRO A 110 -4.259 1.029 -18.323 1.00 0.86 C ATOM 1973 O PRO A 110 -3.279 0.334 -18.052 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.935 -0.820 -18.583 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.576 -0.527 -19.889 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.394 0.706 -19.672 1.00 0.83 C ATOM 0 HA PRO A 110 -5.684 0.575 -16.881 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.012 -1.385 -18.712 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.588 -1.417 -17.946 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.828 -0.368 -20.665 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.201 -1.359 -20.214 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.409 1.338 -20.560 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.430 0.463 -19.436 1.00 0.83 H new ATOM 1984 N THR A 111 -4.151 2.206 -18.924 1.00 0.93 N ATOM 1985 CA THR A 111 -2.843 2.747 -19.245 1.00 1.05 C ATOM 1986 C THR A 111 -2.280 3.496 -18.045 1.00 0.94 C ATOM 1987 O THR A 111 -1.064 3.622 -17.891 1.00 0.98 O ATOM 1988 CB THR A 111 -2.868 3.673 -20.481 1.00 1.30 C ATOM 1989 OG1 THR A 111 -3.575 4.892 -20.198 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.517 2.969 -21.662 1.00 1.47 C ATOM 0 H THR A 111 -4.940 2.794 -19.194 1.00 0.93 H new ATOM 0 HA THR A 111 -2.199 1.902 -19.491 1.00 1.05 H new ATOM 0 HB THR A 111 -1.836 3.918 -20.733 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.253 4.725 -19.510 1.00 1.33 H new ATOM 0 HG21 THR A 111 -3.526 3.637 -22.524 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.951 2.070 -21.905 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.540 2.695 -21.405 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.168 3.969 -17.177 1.00 0.86 N ATOM 1999 CA ASP A 112 -2.744 4.642 -15.960 1.00 0.86 C ATOM 2000 C ASP A 112 -2.590 3.630 -14.832 1.00 0.79 C ATOM 2001 O ASP A 112 -3.269 3.702 -13.805 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.735 5.738 -15.559 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.207 6.605 -14.427 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -3.804 6.584 -13.328 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.187 7.304 -14.621 1.00 1.40 O ATOM 0 H ASP A 112 -4.179 3.898 -17.294 1.00 0.86 H new ATOM 0 HA ASP A 112 -1.781 5.115 -16.150 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -3.950 6.365 -16.424 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.676 5.280 -15.255 1.00 1.05 H new ATOM 2010 N VAL A 113 -1.731 2.650 -15.065 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.348 1.710 -14.052 1.00 0.68 C ATOM 2012 C VAL A 113 -0.659 2.444 -12.903 1.00 0.60 C ATOM 2013 O VAL A 113 -0.126 3.535 -13.085 1.00 0.79 O ATOM 2014 CB VAL A 113 -0.413 0.650 -14.659 1.00 0.86 C ATOM 2015 CG1 VAL A 113 0.937 1.245 -15.020 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.253 -0.512 -13.717 1.00 1.23 C ATOM 0 H VAL A 113 -1.285 2.493 -15.969 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.234 1.210 -13.662 1.00 0.68 H new ATOM 0 HB VAL A 113 -0.869 0.287 -15.580 1.00 0.86 H new ATOM 0 HG11 VAL A 113 1.574 0.470 -15.446 1.00 1.60 H new ATOM 0 HG12 VAL A 113 0.799 2.043 -15.749 1.00 1.60 H new ATOM 0 HG13 VAL A 113 1.408 1.649 -14.124 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.412 -1.252 -14.162 1.00 1.23 H new ATOM 0 HG22 VAL A 113 0.172 -0.162 -12.776 1.00 1.23 H new ATOM 0 HG23 VAL A 113 -1.227 -0.965 -13.529 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.691 1.865 -11.725 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.085 2.479 -10.562 1.00 0.47 C ATOM 2028 C GLU A 114 0.338 1.395 -9.590 1.00 0.44 C ATOM 2029 O GLU A 114 -0.471 0.559 -9.201 1.00 0.48 O ATOM 2030 CB GLU A 114 -1.088 3.429 -9.914 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.580 4.122 -8.667 1.00 0.96 C ATOM 2032 CD GLU A 114 -1.671 4.928 -7.996 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.406 4.349 -7.160 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -1.811 6.128 -8.312 1.00 2.10 O ATOM 0 H GLU A 114 -1.133 0.964 -11.544 1.00 0.45 H new ATOM 0 HA GLU A 114 0.797 3.050 -10.853 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.376 4.186 -10.643 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.989 2.870 -9.662 1.00 0.64 H new ATOM 0 HG2 GLU A 114 -0.193 3.379 -7.969 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.251 4.778 -8.927 1.00 0.96 H new ATOM 2041 N THR A 115 1.598 1.395 -9.201 1.00 0.45 N ATOM 2042 CA THR A 115 2.114 0.320 -8.382 1.00 0.45 C ATOM 2043 C THR A 115 2.868 0.856 -7.171 1.00 0.44 C ATOM 2044 O THR A 115 3.685 1.770 -7.280 1.00 0.51 O ATOM 2045 CB THR A 115 3.037 -0.610 -9.197 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.372 -1.019 -10.406 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.422 -1.845 -8.390 1.00 0.53 C ATOM 0 H THR A 115 2.276 2.120 -9.437 1.00 0.45 H new ATOM 0 HA THR A 115 1.256 -0.254 -8.033 1.00 0.45 H new ATOM 0 HB THR A 115 3.944 -0.058 -9.441 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.962 -1.608 -10.921 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.073 -2.483 -8.989 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.947 -1.539 -7.485 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.522 -2.397 -8.119 1.00 0.53 H new ATOM 2055 N TYR A 116 2.548 0.294 -6.019 1.00 0.41 N ATOM 2056 CA TYR A 116 3.301 0.544 -4.802 1.00 0.43 C ATOM 2057 C TYR A 116 3.979 -0.763 -4.437 1.00 0.38 C ATOM 2058 O TYR A 116 3.502 -1.825 -4.847 1.00 0.39 O ATOM 2059 CB TYR A 116 2.399 0.979 -3.635 1.00 0.54 C ATOM 2060 CG TYR A 116 1.386 2.068 -3.939 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.544 2.953 -5.000 1.00 0.79 C ATOM 2062 CD2 TYR A 116 0.261 2.207 -3.136 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.608 3.938 -5.252 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.676 3.188 -3.379 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.501 4.051 -4.438 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.438 5.026 -4.685 1.00 0.96 O ATOM 0 H TYR A 116 1.763 -0.346 -5.900 1.00 0.41 H new ATOM 0 HA TYR A 116 4.010 1.353 -4.976 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.861 0.103 -3.273 1.00 0.54 H new ATOM 0 HB3 TYR A 116 3.036 1.322 -2.819 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.412 2.869 -5.637 1.00 0.79 H new ATOM 0 HD2 TYR A 116 0.118 1.533 -2.305 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.744 4.616 -6.082 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.543 3.280 -2.742 1.00 0.91 H new ATOM 0 HH TYR A 116 -1.936 4.802 -5.499 1.00 0.96 H new ATOM 2076 N GLU A 117 5.058 -0.735 -3.672 1.00 0.37 N ATOM 2077 CA GLU A 117 5.718 -1.969 -3.293 1.00 0.35 C ATOM 2078 C GLU A 117 5.822 -2.014 -1.778 1.00 0.34 C ATOM 2079 O GLU A 117 6.105 -1.000 -1.143 1.00 0.44 O ATOM 2080 CB GLU A 117 7.122 -2.069 -3.896 1.00 0.44 C ATOM 2081 CG GLU A 117 7.193 -1.753 -5.382 1.00 0.92 C ATOM 2082 CD GLU A 117 8.584 -1.960 -5.946 1.00 0.83 C ATOM 2083 OE1 GLU A 117 9.533 -1.310 -5.458 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.736 -2.760 -6.889 1.00 1.18 O ATOM 0 H GLU A 117 5.488 0.115 -3.307 1.00 0.37 H new ATOM 0 HA GLU A 117 5.131 -2.806 -3.672 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.783 -1.388 -3.360 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.503 -3.077 -3.733 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.487 -2.385 -5.920 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.886 -0.720 -5.547 1.00 0.92 H new ATOM 2091 N TYR A 118 5.567 -3.171 -1.213 1.00 0.29 N ATOM 2092 CA TYR A 118 5.675 -3.372 0.216 1.00 0.29 C ATOM 2093 C TYR A 118 6.950 -4.129 0.535 1.00 0.31 C ATOM 2094 O TYR A 118 6.956 -5.358 0.616 1.00 0.41 O ATOM 2095 CB TYR A 118 4.459 -4.133 0.744 1.00 0.32 C ATOM 2096 CG TYR A 118 3.160 -3.397 0.535 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.766 -2.394 1.407 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.330 -3.694 -0.538 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.589 -1.711 1.220 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.155 -3.016 -0.728 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.790 -2.029 0.148 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.377 -1.359 -0.062 1.00 0.60 O ATOM 0 H TYR A 118 5.278 -4.001 -1.730 1.00 0.29 H new ATOM 0 HA TYR A 118 5.708 -2.399 0.706 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.403 -5.103 0.250 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.593 -4.325 1.809 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.396 -2.145 2.248 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.615 -4.470 -1.232 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.295 -0.932 1.908 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.519 -3.259 -1.566 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.885 -1.801 -0.774 1.00 0.60 H new ATOM 2112 N ARG A 119 8.032 -3.390 0.681 1.00 0.31 N ATOM 2113 CA ARG A 119 9.307 -3.969 1.047 1.00 0.35 C ATOM 2114 C ARG A 119 9.679 -3.479 2.434 1.00 0.35 C ATOM 2115 O ARG A 119 9.461 -2.321 2.755 1.00 0.42 O ATOM 2116 CB ARG A 119 10.377 -3.601 0.008 1.00 0.46 C ATOM 2117 CG ARG A 119 10.665 -2.110 -0.107 1.00 1.14 C ATOM 2118 CD ARG A 119 11.874 -1.709 0.725 1.00 1.30 C ATOM 2119 NE ARG A 119 13.085 -2.393 0.272 1.00 1.83 N ATOM 2120 CZ ARG A 119 14.077 -2.774 1.075 1.00 2.50 C ATOM 2121 NH1 ARG A 119 14.038 -2.496 2.371 1.00 2.76 N ATOM 2122 NH2 ARG A 119 15.120 -3.418 0.573 1.00 3.41 N ATOM 0 H ARG A 119 8.052 -2.379 0.550 1.00 0.31 H new ATOM 0 HA ARG A 119 9.238 -5.057 1.064 1.00 0.35 H new ATOM 0 HB2 ARG A 119 11.303 -4.118 0.261 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.061 -3.973 -0.967 1.00 0.46 H new ATOM 0 HG2 ARG A 119 10.839 -1.852 -1.152 1.00 1.14 H new ATOM 0 HG3 ARG A 119 9.793 -1.544 0.220 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.019 -0.630 0.663 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.691 -1.946 1.773 1.00 1.30 H new ATOM 0 HE ARG A 119 13.176 -2.591 -0.724 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.244 -1.987 2.760 1.00 2.76 H new ATOM 0 HH12 ARG A 119 14.802 -2.791 2.979 1.00 2.76 H new ATOM 0 HH21 ARG A 119 15.162 -3.621 -0.426 1.00 3.41 H new ATOM 0 HH22 ARG A 119 15.881 -3.711 1.185 1.00 3.41 H new ATOM 2136 N ARG A 120 10.212 -4.340 3.271 1.00 0.36 N ATOM 2137 CA ARG A 120 10.486 -3.938 4.638 1.00 0.41 C ATOM 2138 C ARG A 120 11.962 -3.685 4.864 1.00 0.46 C ATOM 2139 O ARG A 120 12.821 -4.398 4.346 1.00 0.63 O ATOM 2140 CB ARG A 120 9.962 -4.964 5.637 1.00 0.49 C ATOM 2141 CG ARG A 120 8.456 -4.907 5.818 1.00 1.06 C ATOM 2142 CD ARG A 120 7.994 -5.790 6.961 1.00 0.97 C ATOM 2143 NE ARG A 120 8.664 -5.464 8.225 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.054 -5.420 9.413 1.00 1.56 C ATOM 2145 NH1 ARG A 120 6.771 -5.741 9.523 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.741 -5.090 10.499 1.00 1.96 N ATOM 0 H ARG A 120 10.461 -5.302 3.041 1.00 0.36 H new ATOM 0 HA ARG A 120 9.956 -3.000 4.803 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.244 -5.963 5.304 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.444 -4.802 6.601 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.151 -3.878 6.007 1.00 1.06 H new ATOM 0 HG3 ARG A 120 7.967 -5.220 4.896 1.00 1.06 H new ATOM 0 HD2 ARG A 120 6.916 -5.684 7.086 1.00 0.97 H new ATOM 0 HD3 ARG A 120 8.184 -6.834 6.710 1.00 0.97 H new ATOM 0 HE ARG A 120 9.662 -5.257 8.195 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.243 -6.024 8.697 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.313 -5.705 10.433 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.734 -4.870 10.427 1.00 1.96 H new ATOM 0 HH22 ARG A 120 8.276 -5.056 11.406 1.00 1.96 H new ATOM 2160 N ASP A 121 12.238 -2.650 5.640 1.00 0.49 N ATOM 2161 CA ASP A 121 13.604 -2.243 5.944 1.00 0.59 C ATOM 2162 C ASP A 121 14.069 -2.900 7.234 1.00 0.66 C ATOM 2163 O ASP A 121 15.260 -2.960 7.531 1.00 1.08 O ATOM 2164 CB ASP A 121 13.673 -0.715 6.056 1.00 0.67 C ATOM 2165 CG ASP A 121 15.061 -0.201 6.383 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.907 -0.143 5.470 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.305 0.169 7.549 1.00 0.88 O ATOM 0 H ASP A 121 11.524 -2.068 6.077 1.00 0.49 H new ATOM 0 HA ASP A 121 14.266 -2.565 5.140 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.341 -0.273 5.116 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.979 -0.382 6.827 1.00 0.67 H new ATOM 2172 N GLY A 122 13.111 -3.422 7.979 1.00 0.73 N ATOM 2173 CA GLY A 122 13.400 -4.040 9.253 1.00 0.83 C ATOM 2174 C GLY A 122 12.277 -3.802 10.229 1.00 0.78 C ATOM 2175 O GLY A 122 11.407 -4.651 10.412 1.00 0.92 O ATOM 0 H GLY A 122 12.125 -3.428 7.719 1.00 0.73 H new ATOM 0 HA2 GLY A 122 13.549 -5.111 9.117 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.329 -3.637 9.655 1.00 0.83 H new ATOM 2179 N ASP A 123 12.276 -2.626 10.827 1.00 0.70 N ATOM 2180 CA ASP A 123 11.206 -2.231 11.727 1.00 0.78 C ATOM 2181 C ASP A 123 10.142 -1.470 10.960 1.00 0.64 C ATOM 2182 O ASP A 123 8.993 -1.384 11.386 1.00 0.75 O ATOM 2183 CB ASP A 123 11.741 -1.355 12.863 1.00 0.98 C ATOM 2184 CG ASP A 123 12.745 -2.075 13.735 1.00 1.67 C ATOM 2185 OD1 ASP A 123 12.326 -2.876 14.596 1.00 2.17 O ATOM 2186 OD2 ASP A 123 13.964 -1.841 13.564 1.00 2.31 O ATOM 0 H ASP A 123 13.006 -1.924 10.706 1.00 0.70 H new ATOM 0 HA ASP A 123 10.774 -3.134 12.158 1.00 0.78 H new ATOM 0 HB2 ASP A 123 12.206 -0.464 12.441 1.00 0.98 H new ATOM 0 HB3 ASP A 123 10.907 -1.018 13.479 1.00 0.98 H new ATOM 2191 N TYR A 124 10.530 -0.929 9.812 1.00 0.48 N ATOM 2192 CA TYR A 124 9.637 -0.101 9.030 1.00 0.36 C ATOM 2193 C TYR A 124 9.248 -0.795 7.742 1.00 0.33 C ATOM 2194 O TYR A 124 10.072 -1.453 7.096 1.00 0.39 O ATOM 2195 CB TYR A 124 10.295 1.245 8.714 1.00 0.32 C ATOM 2196 CG TYR A 124 10.507 2.113 9.931 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.668 2.010 10.681 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.556 3.045 10.320 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.875 2.811 11.787 1.00 0.53 C ATOM 2200 CE2 TYR A 124 9.754 3.847 11.424 1.00 0.58 C ATOM 2201 CZ TYR A 124 10.881 3.692 12.185 1.00 0.56 C ATOM 2202 OH TYR A 124 11.118 4.529 13.256 1.00 0.67 O ATOM 0 H TYR A 124 11.458 -1.052 9.407 1.00 0.48 H new ATOM 0 HA TYR A 124 8.736 0.072 9.619 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.257 1.066 8.233 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.676 1.784 7.997 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.423 1.292 10.396 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.645 3.144 9.748 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.803 2.752 12.337 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.022 4.596 11.688 1.00 0.58 H new ATOM 0 HH TYR A 124 10.329 5.089 13.415 1.00 0.67 H new ATOM 2212 N LEU A 125 7.987 -0.662 7.389 1.00 0.30 N ATOM 2213 CA LEU A 125 7.513 -1.080 6.096 1.00 0.30 C ATOM 2214 C LEU A 125 7.790 0.062 5.134 1.00 0.27 C ATOM 2215 O LEU A 125 7.411 1.203 5.398 1.00 0.31 O ATOM 2216 CB LEU A 125 6.003 -1.372 6.139 1.00 0.36 C ATOM 2217 CG LEU A 125 5.521 -2.625 5.391 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.003 -2.637 5.303 1.00 1.03 C ATOM 2219 CD2 LEU A 125 6.119 -2.718 3.999 1.00 0.88 C ATOM 0 H LEU A 125 7.267 -0.262 7.991 1.00 0.30 H new ATOM 0 HA LEU A 125 8.017 -1.994 5.782 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.704 -1.463 7.183 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.478 -0.509 5.731 1.00 0.36 H new ATOM 0 HG LEU A 125 5.859 -3.492 5.958 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.676 -3.530 4.771 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.580 -2.638 6.308 1.00 1.03 H new ATOM 0 HD13 LEU A 125 3.663 -1.751 4.767 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.752 -3.618 3.505 1.00 0.88 H new ATOM 0 HD22 LEU A 125 5.829 -1.842 3.419 1.00 0.88 H new ATOM 0 HD23 LEU A 125 7.206 -2.761 4.072 1.00 0.88 H new ATOM 2231 N VAL A 126 8.448 -0.225 4.036 1.00 0.29 N ATOM 2232 CA VAL A 126 8.823 0.815 3.110 1.00 0.34 C ATOM 2233 C VAL A 126 8.006 0.683 1.843 1.00 0.36 C ATOM 2234 O VAL A 126 8.179 -0.260 1.065 1.00 0.43 O ATOM 2235 CB VAL A 126 10.324 0.786 2.762 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.692 1.975 1.889 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.170 0.767 4.025 1.00 0.47 C ATOM 0 H VAL A 126 8.733 -1.166 3.763 1.00 0.29 H new ATOM 0 HA VAL A 126 8.622 1.770 3.596 1.00 0.34 H new ATOM 0 HB VAL A 126 10.527 -0.127 2.203 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.756 1.938 1.653 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.114 1.941 0.965 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.470 2.900 2.422 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.226 0.747 3.755 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.963 1.660 4.615 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.928 -0.119 4.612 1.00 0.47 H new ATOM 2247 N MET A 127 7.096 1.614 1.662 1.00 0.38 N ATOM 2248 CA MET A 127 6.301 1.647 0.459 1.00 0.46 C ATOM 2249 C MET A 127 7.103 2.300 -0.645 1.00 0.33 C ATOM 2250 O MET A 127 7.563 3.435 -0.508 1.00 0.33 O ATOM 2251 CB MET A 127 4.982 2.383 0.675 1.00 0.65 C ATOM 2252 CG MET A 127 4.262 2.688 -0.626 1.00 0.87 C ATOM 2253 SD MET A 127 2.498 2.951 -0.412 1.00 1.08 S ATOM 2254 CE MET A 127 1.992 1.302 0.036 1.00 0.66 C ATOM 0 H MET A 127 6.890 2.355 2.331 1.00 0.38 H new ATOM 0 HA MET A 127 6.052 0.624 0.177 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.334 1.780 1.311 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.173 3.315 1.207 1.00 0.65 H new ATOM 0 HG2 MET A 127 4.703 3.576 -1.079 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.418 1.864 -1.322 1.00 0.87 H new ATOM 0 HE1 MET A 127 0.937 1.167 -0.204 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.586 0.576 -0.519 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.143 1.153 1.105 1.00 0.66 H new ATOM 2264 N LYS A 128 7.277 1.579 -1.732 1.00 0.33 N ATOM 2265 CA LYS A 128 8.100 2.050 -2.822 1.00 0.35 C ATOM 2266 C LYS A 128 7.215 2.394 -4.005 1.00 0.35 C ATOM 2267 O LYS A 128 6.578 1.522 -4.593 1.00 0.44 O ATOM 2268 CB LYS A 128 9.120 0.984 -3.217 1.00 0.55 C ATOM 2269 CG LYS A 128 10.299 1.525 -4.003 1.00 0.82 C ATOM 2270 CD LYS A 128 11.166 2.432 -3.149 1.00 0.99 C ATOM 2271 CE LYS A 128 12.430 2.834 -3.883 1.00 1.42 C ATOM 2272 NZ LYS A 128 13.397 3.528 -2.994 1.00 2.20 N ATOM 0 H LYS A 128 6.857 0.662 -1.883 1.00 0.33 H new ATOM 0 HA LYS A 128 8.642 2.941 -2.505 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.490 0.497 -2.315 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.620 0.219 -3.811 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.898 0.696 -4.380 1.00 0.82 H new ATOM 0 HG3 LYS A 128 9.937 2.077 -4.871 1.00 0.82 H new ATOM 0 HD2 LYS A 128 10.603 3.324 -2.874 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.428 1.922 -2.222 1.00 0.99 H new ATOM 0 HE2 LYS A 128 12.900 1.947 -4.307 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.172 3.487 -4.717 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 14.119 4.004 -3.571 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 12.894 4.233 -2.417 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 13.855 2.833 -2.370 1.00 2.20 H new ATOM 2286 N MET A 129 7.146 3.671 -4.325 1.00 0.36 N ATOM 2287 CA MET A 129 6.282 4.146 -5.391 1.00 0.41 C ATOM 2288 C MET A 129 7.124 4.861 -6.432 1.00 0.35 C ATOM 2289 O MET A 129 7.871 5.777 -6.101 1.00 0.40 O ATOM 2290 CB MET A 129 5.229 5.094 -4.811 1.00 0.49 C ATOM 2291 CG MET A 129 4.557 4.547 -3.564 1.00 1.02 C ATOM 2292 SD MET A 129 3.799 5.825 -2.546 1.00 1.11 S ATOM 2293 CE MET A 129 2.431 6.327 -3.579 1.00 0.50 C ATOM 0 H MET A 129 7.681 4.404 -3.859 1.00 0.36 H new ATOM 0 HA MET A 129 5.773 3.305 -5.862 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.699 6.048 -4.574 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.470 5.292 -5.568 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.794 3.826 -3.857 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.294 4.008 -2.969 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.457 7.408 -3.718 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.507 5.835 -4.548 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.492 6.045 -3.102 1.00 0.50 H new ATOM 2303 N SER A 130 7.030 4.440 -7.679 1.00 0.34 N ATOM 2304 CA SER A 130 7.847 5.025 -8.725 1.00 0.33 C ATOM 2305 C SER A 130 7.035 5.299 -9.986 1.00 0.33 C ATOM 2306 O SER A 130 6.296 4.436 -10.468 1.00 0.38 O ATOM 2307 CB SER A 130 9.031 4.103 -9.017 1.00 0.39 C ATOM 2308 OG SER A 130 8.628 2.740 -9.014 1.00 1.06 O ATOM 0 H SER A 130 6.401 3.700 -7.991 1.00 0.34 H new ATOM 0 HA SER A 130 8.222 5.988 -8.379 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.463 4.356 -9.985 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.810 4.257 -8.270 1.00 0.39 H new ATOM 0 HG SER A 130 9.402 2.170 -9.205 1.00 1.06 H new ATOM 2314 N TRP A 131 7.156 6.518 -10.492 1.00 0.32 N ATOM 2315 CA TRP A 131 6.450 6.928 -11.697 1.00 0.34 C ATOM 2316 C TRP A 131 7.214 8.039 -12.402 1.00 0.34 C ATOM 2317 O TRP A 131 7.710 8.962 -11.758 1.00 0.33 O ATOM 2318 CB TRP A 131 5.035 7.398 -11.346 1.00 0.36 C ATOM 2319 CG TRP A 131 4.135 7.508 -12.535 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.805 8.643 -13.210 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.450 6.440 -13.193 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.960 8.348 -14.248 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.730 7.000 -14.262 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.380 5.062 -12.982 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.950 6.231 -15.121 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.608 4.300 -13.833 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.904 4.886 -14.893 1.00 0.76 C ATOM 0 H TRP A 131 7.742 7.246 -10.082 1.00 0.32 H new ATOM 0 HA TRP A 131 6.378 6.073 -12.369 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.596 6.703 -10.630 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.094 8.368 -10.853 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.158 9.633 -12.963 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.567 9.024 -14.903 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.920 4.602 -12.168 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.403 6.681 -15.936 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.545 3.233 -13.680 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.312 4.260 -15.544 1.00 0.76 H new ATOM 2338 N LYS A 132 7.305 7.933 -13.727 1.00 0.37 N ATOM 2339 CA LYS A 132 8.050 8.885 -14.553 1.00 0.40 C ATOM 2340 C LYS A 132 9.476 9.077 -14.042 1.00 0.39 C ATOM 2341 O LYS A 132 10.005 10.190 -14.044 1.00 0.42 O ATOM 2342 CB LYS A 132 7.334 10.238 -14.634 1.00 0.44 C ATOM 2343 CG LYS A 132 5.967 10.176 -15.300 1.00 0.68 C ATOM 2344 CD LYS A 132 6.066 9.762 -16.760 1.00 1.22 C ATOM 2345 CE LYS A 132 4.693 9.695 -17.410 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.770 9.296 -18.839 1.00 1.96 N ATOM 0 H LYS A 132 6.864 7.184 -14.260 1.00 0.37 H new ATOM 0 HA LYS A 132 8.100 8.461 -15.556 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.218 10.637 -13.626 1.00 0.44 H new ATOM 0 HB3 LYS A 132 7.963 10.938 -15.184 1.00 0.44 H new ATOM 0 HG2 LYS A 132 5.334 9.469 -14.764 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.485 11.151 -15.231 1.00 0.68 H new ATOM 0 HD2 LYS A 132 6.692 10.472 -17.300 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.553 8.789 -16.832 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.070 8.983 -16.868 1.00 1.43 H new ATOM 0 HE3 LYS A 132 4.207 10.668 -17.331 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 3.812 9.263 -19.242 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.342 9.989 -19.362 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 5.210 8.356 -18.914 1.00 1.96 H new ATOM 2360 N GLY A 133 10.087 7.988 -13.598 1.00 0.40 N ATOM 2361 CA GLY A 133 11.455 8.042 -13.114 1.00 0.42 C ATOM 2362 C GLY A 133 11.557 8.519 -11.677 1.00 0.40 C ATOM 2363 O GLY A 133 12.616 8.411 -11.057 1.00 0.53 O ATOM 0 H GLY A 133 9.659 7.063 -13.564 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.903 7.051 -13.195 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.035 8.707 -13.754 1.00 0.42 H new ATOM 2367 N VAL A 134 10.462 9.039 -11.142 1.00 0.35 N ATOM 2368 CA VAL A 134 10.448 9.564 -9.784 1.00 0.34 C ATOM 2369 C VAL A 134 10.080 8.467 -8.795 1.00 0.36 C ATOM 2370 O VAL A 134 8.942 7.999 -8.767 1.00 0.40 O ATOM 2371 CB VAL A 134 9.450 10.731 -9.630 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.548 11.342 -8.239 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.682 11.786 -10.698 1.00 0.43 C ATOM 0 H VAL A 134 9.569 9.109 -11.629 1.00 0.35 H new ATOM 0 HA VAL A 134 11.451 9.935 -9.575 1.00 0.34 H new ATOM 0 HB VAL A 134 8.443 10.335 -9.759 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.836 12.163 -8.151 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.320 10.583 -7.491 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.558 11.719 -8.077 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.967 12.598 -10.569 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.695 12.177 -10.609 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.551 11.340 -11.684 1.00 0.43 H new ATOM 2383 N SER A 135 11.052 8.041 -8.008 1.00 0.38 N ATOM 2384 CA SER A 135 10.819 7.037 -6.995 1.00 0.42 C ATOM 2385 C SER A 135 10.755 7.657 -5.610 1.00 0.40 C ATOM 2386 O SER A 135 11.638 8.413 -5.207 1.00 0.51 O ATOM 2387 CB SER A 135 11.910 5.982 -7.050 1.00 0.50 C ATOM 2388 OG SER A 135 13.036 6.445 -7.783 1.00 1.14 O ATOM 0 H SER A 135 12.013 8.379 -8.055 1.00 0.38 H new ATOM 0 HA SER A 135 9.856 6.568 -7.196 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.215 5.718 -6.038 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.520 5.075 -7.512 1.00 0.50 H new ATOM 0 HG SER A 135 13.724 5.747 -7.801 1.00 1.14 H new ATOM 2394 N THR A 136 9.704 7.326 -4.897 1.00 0.35 N ATOM 2395 CA THR A 136 9.504 7.817 -3.550 1.00 0.34 C ATOM 2396 C THR A 136 9.450 6.651 -2.574 1.00 0.31 C ATOM 2397 O THR A 136 8.912 5.584 -2.889 1.00 0.34 O ATOM 2398 CB THR A 136 8.216 8.668 -3.435 1.00 0.38 C ATOM 2399 OG1 THR A 136 8.025 9.105 -2.087 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.996 7.887 -3.885 1.00 0.39 C ATOM 0 H THR A 136 8.963 6.710 -5.232 1.00 0.35 H new ATOM 0 HA THR A 136 10.348 8.460 -3.301 1.00 0.34 H new ATOM 0 HB THR A 136 8.337 9.533 -4.087 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.878 9.420 -1.721 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.109 8.513 -3.792 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.120 7.586 -4.925 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.882 7.000 -3.262 1.00 0.39 H new ATOM 2408 N SER A 137 10.032 6.850 -1.406 1.00 0.33 N ATOM 2409 CA SER A 137 10.045 5.829 -0.379 1.00 0.32 C ATOM 2410 C SER A 137 9.280 6.322 0.843 1.00 0.31 C ATOM 2411 O SER A 137 9.659 7.317 1.460 1.00 0.40 O ATOM 2412 CB SER A 137 11.488 5.492 -0.002 1.00 0.39 C ATOM 2413 OG SER A 137 12.270 5.248 -1.161 1.00 0.79 O ATOM 0 H SER A 137 10.504 7.716 -1.145 1.00 0.33 H new ATOM 0 HA SER A 137 9.563 4.928 -0.757 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.921 6.314 0.567 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.504 4.614 0.644 1.00 0.39 H new ATOM 0 HG SER A 137 13.186 5.021 -0.896 1.00 0.79 H new ATOM 2419 N ARG A 138 8.187 5.652 1.170 1.00 0.35 N ATOM 2420 CA ARG A 138 7.394 6.030 2.328 1.00 0.44 C ATOM 2421 C ARG A 138 7.662 5.064 3.471 1.00 0.39 C ATOM 2422 O ARG A 138 7.660 3.849 3.278 1.00 0.43 O ATOM 2423 CB ARG A 138 5.903 6.056 1.992 1.00 0.63 C ATOM 2424 CG ARG A 138 5.586 6.726 0.664 1.00 1.08 C ATOM 2425 CD ARG A 138 4.159 7.240 0.628 1.00 0.88 C ATOM 2426 NE ARG A 138 4.011 8.476 1.399 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.874 8.880 1.953 1.00 1.07 C ATOM 2428 NH1 ARG A 138 1.794 8.115 1.901 1.00 1.84 N ATOM 2429 NH2 ARG A 138 2.830 10.049 2.583 1.00 1.63 N ATOM 0 H ARG A 138 7.830 4.848 0.653 1.00 0.35 H new ATOM 0 HA ARG A 138 7.684 7.036 2.631 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.527 5.033 1.972 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.370 6.576 2.788 1.00 0.63 H new ATOM 0 HG2 ARG A 138 6.276 7.553 0.499 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.739 6.016 -0.149 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.862 7.418 -0.406 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.488 6.479 1.027 1.00 0.88 H new ATOM 0 HE ARG A 138 4.835 9.065 1.518 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.833 7.209 1.433 1.00 1.84 H new ATOM 0 HH12 ARG A 138 0.924 8.431 2.329 1.00 1.84 H new ATOM 0 HH21 ARG A 138 3.666 10.630 2.639 1.00 1.63 H new ATOM 0 HH22 ARG A 138 1.960 10.365 3.011 1.00 1.63 H new ATOM 2443 N TYR A 139 7.891 5.604 4.655 1.00 0.39 N ATOM 2444 CA TYR A 139 8.300 4.797 5.791 1.00 0.36 C ATOM 2445 C TYR A 139 7.160 4.637 6.778 1.00 0.34 C ATOM 2446 O TYR A 139 6.709 5.605 7.398 1.00 0.39 O ATOM 2447 CB TYR A 139 9.518 5.421 6.471 1.00 0.42 C ATOM 2448 CG TYR A 139 10.714 5.515 5.555 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.871 6.590 4.691 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.698 4.536 5.571 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.975 6.687 3.868 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.802 4.624 4.752 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.888 5.678 3.837 1.00 0.56 C ATOM 2454 OH TYR A 139 14.043 5.792 3.092 1.00 0.64 O ATOM 0 H TYR A 139 7.800 6.600 4.855 1.00 0.39 H new ATOM 0 HA TYR A 139 8.573 3.806 5.429 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.259 6.418 6.827 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.783 4.829 7.347 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.117 7.363 4.662 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.596 3.692 6.236 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.114 7.562 3.250 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.591 3.889 4.816 1.00 0.56 H new ATOM 0 HH TYR A 139 14.325 6.730 3.068 1.00 0.64 H new ATOM 2464 N TYR A 140 6.683 3.413 6.894 1.00 0.29 N ATOM 2465 CA TYR A 140 5.599 3.086 7.798 1.00 0.27 C ATOM 2466 C TYR A 140 6.102 2.238 8.956 1.00 0.29 C ATOM 2467 O TYR A 140 6.818 1.267 8.756 1.00 0.37 O ATOM 2468 CB TYR A 140 4.505 2.324 7.043 1.00 0.27 C ATOM 2469 CG TYR A 140 3.700 3.182 6.096 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.452 3.653 6.472 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.184 3.527 4.838 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.706 4.446 5.628 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.437 4.322 3.983 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.199 4.779 4.388 1.00 0.48 C ATOM 2475 OH TYR A 140 1.453 5.583 3.561 1.00 0.60 O ATOM 0 H TYR A 140 7.037 2.617 6.363 1.00 0.29 H new ATOM 0 HA TYR A 140 5.190 4.015 8.196 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.965 1.512 6.479 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.830 1.867 7.766 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.058 3.394 7.443 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.154 3.171 4.524 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.736 4.805 5.939 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.821 4.582 3.007 1.00 0.52 H new ATOM 0 HH TYR A 140 1.523 5.258 2.639 1.00 0.60 H new ATOM 2485 N LYS A 141 5.726 2.603 10.163 1.00 0.37 N ATOM 2486 CA LYS A 141 6.014 1.782 11.325 1.00 0.48 C ATOM 2487 C LYS A 141 4.693 1.386 11.936 1.00 0.45 C ATOM 2488 O LYS A 141 3.707 2.017 11.623 1.00 0.54 O ATOM 2489 CB LYS A 141 6.925 2.512 12.324 1.00 0.69 C ATOM 2490 CG LYS A 141 6.421 3.873 12.796 1.00 0.72 C ATOM 2491 CD LYS A 141 5.344 3.739 13.853 1.00 0.97 C ATOM 2492 CE LYS A 141 5.853 3.015 15.090 1.00 1.45 C ATOM 2493 NZ LYS A 141 4.811 2.914 16.145 1.00 1.92 N ATOM 0 H LYS A 141 5.219 3.464 10.368 1.00 0.37 H new ATOM 0 HA LYS A 141 6.566 0.889 11.033 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.065 1.873 13.196 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.905 2.645 11.866 1.00 0.69 H new ATOM 0 HG2 LYS A 141 7.254 4.450 13.197 1.00 0.72 H new ATOM 0 HG3 LYS A 141 6.028 4.430 11.945 1.00 0.72 H new ATOM 0 HD2 LYS A 141 4.985 4.729 14.133 1.00 0.97 H new ATOM 0 HD3 LYS A 141 4.494 3.197 13.439 1.00 0.97 H new ATOM 0 HE2 LYS A 141 6.186 2.015 14.813 1.00 1.45 H new ATOM 0 HE3 LYS A 141 6.721 3.542 15.487 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 5.101 2.209 16.853 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 4.693 3.839 16.606 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 3.909 2.623 15.716 1.00 1.92 H new ATOM 2507 N LYS A 142 4.663 0.341 12.754 1.00 0.44 N ATOM 2508 CA LYS A 142 3.408 -0.146 13.362 1.00 0.43 C ATOM 2509 C LYS A 142 2.503 1.008 13.847 1.00 0.36 C ATOM 2510 O LYS A 142 2.967 2.116 14.082 1.00 0.34 O ATOM 2511 CB LYS A 142 3.736 -1.083 14.527 1.00 0.54 C ATOM 2512 CG LYS A 142 2.526 -1.805 15.096 1.00 0.87 C ATOM 2513 CD LYS A 142 2.920 -2.792 16.179 1.00 1.30 C ATOM 2514 CE LYS A 142 1.713 -3.563 16.682 1.00 1.43 C ATOM 2515 NZ LYS A 142 2.082 -4.570 17.709 1.00 2.13 N ATOM 0 H LYS A 142 5.490 -0.194 13.019 1.00 0.44 H new ATOM 0 HA LYS A 142 2.854 -0.684 12.593 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.464 -1.822 14.192 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.210 -0.507 15.322 1.00 0.54 H new ATOM 0 HG2 LYS A 142 1.826 -1.076 15.505 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.006 -2.331 14.295 1.00 0.87 H new ATOM 0 HD2 LYS A 142 3.663 -3.488 15.788 1.00 1.30 H new ATOM 0 HD3 LYS A 142 3.387 -2.260 17.008 1.00 1.30 H new ATOM 0 HE2 LYS A 142 0.988 -2.866 17.102 1.00 1.43 H new ATOM 0 HE3 LYS A 142 1.227 -4.062 15.844 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 1.228 -5.073 18.025 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 2.754 -5.251 17.302 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 2.522 -4.092 18.521 1.00 2.13 H new ATOM 2529 N GLN A 143 1.196 0.799 13.901 1.00 0.44 N ATOM 2530 CA GLN A 143 0.337 1.767 14.579 1.00 0.53 C ATOM 2531 C GLN A 143 0.770 1.963 16.024 1.00 0.68 C ATOM 2532 O GLN A 143 1.277 3.059 16.341 1.00 1.46 O ATOM 2533 CB GLN A 143 -1.129 1.345 14.518 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.844 1.805 13.261 1.00 0.63 C ATOM 2535 CD GLN A 143 -2.344 3.240 13.350 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -3.342 3.597 12.728 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -1.677 4.067 14.137 1.00 1.28 N ATOM 2538 OXT GLN A 143 0.629 1.019 16.827 1.00 1.19 O ATOM 0 H GLN A 143 0.715 -0.005 13.498 1.00 0.44 H new ATOM 0 HA GLN A 143 0.440 2.718 14.056 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -1.188 0.258 14.582 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.650 1.745 15.388 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -1.167 1.714 12.411 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.689 1.144 13.068 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -0.852 3.739 14.640 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -1.987 5.033 14.242 1.00 1.28 H new